smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCCOc1cccnc1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000426359998 231207246 /nfs/dbraw/zinc/20/72/46/231207246.db2.gz USMHDKGVVWHVTM-UHFFFAOYSA-N 1 1 386.471 2.907 50 0 GFAAMO O=C(NCCCOc1cccnc1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000426359998 231207249 /nfs/dbraw/zinc/20/72/49/231207249.db2.gz USMHDKGVVWHVTM-UHFFFAOYSA-N 1 1 386.471 2.907 50 0 GFAAMO O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)N1CC[NH+](CCCO)CC1 ZINC000426478781 231225882 /nfs/dbraw/zinc/22/58/82/231225882.db2.gz MPHUQQDMJREDJS-LJQANCHMSA-N 1 1 388.899 2.534 50 0 GFAAMO CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CC[N@@H+](C)C4)csc3C2)nc1 ZINC000426604236 529644710 /nfs/dbraw/zinc/64/47/10/529644710.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 1 1 398.576 2.945 50 0 GFAAMO COc1ccc(/C=C/C(=O)NCC(=O)N2CCC([N@@H+](C)C3CCCC3)CC2)cc1 ZINC000005057790 204108326 /nfs/dbraw/zinc/10/83/26/204108326.db2.gz KKSQAOVOCCQGCH-FMIVXFBMSA-N 1 1 399.535 2.690 50 0 GFAAMO COc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000006126045 204165364 /nfs/dbraw/zinc/16/53/64/204165364.db2.gz PVALAMCZKVZBID-UHFFFAOYSA-N 1 1 376.460 2.803 50 0 GFAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000007716688 204247041 /nfs/dbraw/zinc/24/70/41/204247041.db2.gz IRZJRJJHPKYRFS-SFHVURJKSA-N 1 1 398.459 2.886 50 0 GFAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000007716688 204247044 /nfs/dbraw/zinc/24/70/44/204247044.db2.gz IRZJRJJHPKYRFS-SFHVURJKSA-N 1 1 398.459 2.886 50 0 GFAAMO COCCNC(=O)c1c(C)n([C@H]2CCC[N@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704516 204324827 /nfs/dbraw/zinc/32/48/27/204324827.db2.gz CKKIDAPKGZIMNW-ZDUSSCGKSA-N 1 1 376.423 2.632 50 0 GFAAMO COc1cc(C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2CC2)ccc1OC(F)F ZINC000009112948 204300228 /nfs/dbraw/zinc/30/02/28/204300228.db2.gz VJDYPYAQDHWTRK-UHFFFAOYSA-N 1 1 399.438 2.885 50 0 GFAAMO COc1cc(C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2CC2)ccc1OC(F)F ZINC000009112948 204300231 /nfs/dbraw/zinc/30/02/31/204300231.db2.gz VJDYPYAQDHWTRK-UHFFFAOYSA-N 1 1 399.438 2.885 50 0 GFAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 ZINC000011838251 204355363 /nfs/dbraw/zinc/35/53/63/204355363.db2.gz VKWSOCCGAWDKRF-QGZVFWFLSA-N 1 1 398.507 2.803 50 0 GFAAMO CN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011934873 204362110 /nfs/dbraw/zinc/36/21/10/204362110.db2.gz BHACVWDOYIYDCK-OAQYLSRUSA-N 1 1 397.563 2.801 50 0 GFAAMO Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012198891 204380467 /nfs/dbraw/zinc/38/04/67/204380467.db2.gz JGHHTBSDJRHCPV-HXUWFJFHSA-N 1 1 382.508 2.569 50 0 GFAAMO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000012206928 204383949 /nfs/dbraw/zinc/38/39/49/204383949.db2.gz QLIGSTKVJZSKMJ-GOSISDBHSA-N 1 1 383.540 2.535 50 0 GFAAMO CC(C)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000012206928 204383953 /nfs/dbraw/zinc/38/39/53/204383953.db2.gz QLIGSTKVJZSKMJ-GOSISDBHSA-N 1 1 383.540 2.535 50 0 GFAAMO O=C(NCC1CCCCC1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012580683 204426106 /nfs/dbraw/zinc/42/61/06/204426106.db2.gz PEZVYVIHXMXDCV-IBGZPJMESA-N 1 1 375.557 2.796 50 0 GFAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)n1 ZINC000019926859 204694363 /nfs/dbraw/zinc/69/43/63/204694363.db2.gz RAXUVRKQYAUBFI-QGZVFWFLSA-N 1 1 383.452 2.930 50 0 GFAAMO COc1cccc(C[N@@H+](C)C2CCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039371737 205040631 /nfs/dbraw/zinc/04/06/31/205040631.db2.gz SZPPXEZYQUSNOD-FQEVSTJZSA-N 1 1 392.540 2.532 50 0 GFAAMO COc1cccc(-c2noc(-c3ccc(N4CC[N@@H+](C)[C@H](C)C4)nc3)n2)c1OC ZINC000039413291 205042149 /nfs/dbraw/zinc/04/21/49/205042149.db2.gz WJEXUZBZQMVNLE-CQSZACIVSA-N 1 1 395.463 2.956 50 0 GFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120126 205053571 /nfs/dbraw/zinc/05/35/71/205053571.db2.gz VJAKJFFLNZNFKV-WBVHZDCISA-N 1 1 397.441 2.654 50 0 GFAAMO Cc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2c1 ZINC000040111513 205054516 /nfs/dbraw/zinc/05/45/16/205054516.db2.gz ACFIRKCZYQNAOT-UHFFFAOYSA-N 1 1 390.487 2.794 50 0 GFAAMO Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(N3CCC[N@H+](C)CC3)nc1)C2 ZINC000040152045 205058788 /nfs/dbraw/zinc/05/87/88/205058788.db2.gz WFXINNMGJLLQPM-HXUWFJFHSA-N 1 1 396.560 2.865 50 0 GFAAMO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccccc1Cl ZINC000040149659 205059021 /nfs/dbraw/zinc/05/90/21/205059021.db2.gz VFGKOAPKFSCUKS-CQSZACIVSA-N 1 1 387.871 2.809 50 0 GFAAMO COc1ccc(-c2n[nH]cc2CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000043103306 205082462 /nfs/dbraw/zinc/08/24/62/205082462.db2.gz PJXFCYWFAANCCZ-HXUWFJFHSA-N 1 1 384.524 2.897 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCc2nc(-c3ccccc3)no2)ccn1 ZINC000047013733 205108088 /nfs/dbraw/zinc/10/80/88/205108088.db2.gz VMDZKMKLLHKBFP-UHFFFAOYSA-N 1 1 388.431 2.875 50 0 GFAAMO CCc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000048353787 205120577 /nfs/dbraw/zinc/12/05/77/205120577.db2.gz NYNKAXHYICWJIW-UHFFFAOYSA-N 1 1 381.520 2.692 50 0 GFAAMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000053503205 205136266 /nfs/dbraw/zinc/13/62/66/205136266.db2.gz JTWGAIGARMSOIZ-UHFFFAOYSA-N 1 1 379.932 2.768 50 0 GFAAMO CN(C)C(=O)Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000056554790 205152457 /nfs/dbraw/zinc/15/24/57/205152457.db2.gz WOLCFWHSLHGMDX-IBGZPJMESA-N 1 1 380.492 2.713 50 0 GFAAMO COc1ccc2oc(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000085877994 205130057 /nfs/dbraw/zinc/13/00/57/205130057.db2.gz DHWIYPVIRPQSNX-ZBFHGGJFSA-N 1 1 378.428 2.583 50 0 GFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000064892537 205200724 /nfs/dbraw/zinc/20/07/24/205200724.db2.gz MIDFWJQONJTZGU-HNNXBMFYSA-N 1 1 399.582 2.527 50 0 GFAAMO CCNc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)[nH+]c(C)n1 ZINC000065362331 205230699 /nfs/dbraw/zinc/23/06/99/205230699.db2.gz NPJHFBNARAAJLJ-UHFFFAOYSA-N 1 1 384.484 2.970 50 0 GFAAMO Cc1ccc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1 ZINC000065361828 205231238 /nfs/dbraw/zinc/23/12/38/205231238.db2.gz UEQRBDNWTOSTNY-UHFFFAOYSA-N 1 1 377.452 2.633 50 0 GFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000067291743 205244306 /nfs/dbraw/zinc/24/43/06/205244306.db2.gz OPABXLSYTPOBNY-UHFFFAOYSA-N 1 1 376.457 2.820 50 0 GFAAMO Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)N1CC[NH+](C)CC1 ZINC000065195013 205217521 /nfs/dbraw/zinc/21/75/21/205217521.db2.gz SBLFWALCNVELDW-UHFFFAOYSA-N 1 1 397.454 2.735 50 0 GFAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000067613119 205250761 /nfs/dbraw/zinc/25/07/61/205250761.db2.gz OUWMJBXILOKZFT-UHFFFAOYSA-N 1 1 387.434 2.626 50 0 GFAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(C)[nH+]2)cc1 ZINC000067622482 205252822 /nfs/dbraw/zinc/25/28/22/205252822.db2.gz WAVGOWTWKXOQDX-SFHVURJKSA-N 1 1 381.480 2.665 50 0 GFAAMO CCC[NH+]1CCN(C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067694647 205256412 /nfs/dbraw/zinc/25/64/12/205256412.db2.gz OVERTRPUXAPUEI-HSZRJFAPSA-N 1 1 387.568 2.691 50 0 GFAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc4occc4c3)CC2)C1 ZINC000067695003 205257501 /nfs/dbraw/zinc/25/75/01/205257501.db2.gz QGRBKPQYCNRLTM-FQEVSTJZSA-N 1 1 399.535 2.872 50 0 GFAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc(C)ccc3C)CC2)C1 ZINC000067757000 205259361 /nfs/dbraw/zinc/25/93/61/205259361.db2.gz IPLQMZSJIHHAGJ-HXUWFJFHSA-N 1 1 387.568 2.742 50 0 GFAAMO C[N@H+]1CCCC2(CCN(C(=O)CCNC(=O)c3ccc(F)cc3)CC2)CC1 ZINC000067846689 205265001 /nfs/dbraw/zinc/26/50/01/205265001.db2.gz CLGNHMZURZYISI-UHFFFAOYSA-N 1 1 375.488 2.670 50 0 GFAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)Cc2cnc3ccccn23)[nH]n1 ZINC000067894019 205265671 /nfs/dbraw/zinc/26/56/71/205265671.db2.gz ZLTGLADZMKSOQD-UHFFFAOYSA-N 1 1 377.452 2.698 50 0 GFAAMO CO[C@@H]1CCCN(c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)C1 ZINC000067921177 205268571 /nfs/dbraw/zinc/26/85/71/205268571.db2.gz KAFIXSLIHWTRKH-GOSISDBHSA-N 1 1 385.512 2.837 50 0 GFAAMO CCc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ncc1C ZINC000071422271 205283787 /nfs/dbraw/zinc/28/37/87/205283787.db2.gz MMKPIVSEOFTURB-GOSISDBHSA-N 1 1 385.556 2.651 50 0 GFAAMO Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000071439350 205284001 /nfs/dbraw/zinc/28/40/01/205284001.db2.gz LLWJZCZPVJSIJC-LJQANCHMSA-N 1 1 386.471 2.590 50 0 GFAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000071681220 205287641 /nfs/dbraw/zinc/28/76/41/205287641.db2.gz CRPLIDFERHFFLC-GOSISDBHSA-N 1 1 394.519 2.763 50 0 GFAAMO O=C(NCc1nccs1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071758929 205293867 /nfs/dbraw/zinc/29/38/67/205293867.db2.gz NHNBJGZCLUFTDV-SFHVURJKSA-N 1 1 399.564 2.531 50 0 GFAAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071761951 205293958 /nfs/dbraw/zinc/29/39/58/205293958.db2.gz CBNFVAQWRYDILN-FQEVSTJZSA-N 1 1 383.536 2.758 50 0 GFAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)o1 ZINC000071774730 205297651 /nfs/dbraw/zinc/29/76/51/205297651.db2.gz AMUAAZWBVJMCQM-HXUWFJFHSA-N 1 1 396.535 2.976 50 0 GFAAMO COc1ccc(Oc2cccc(C[N@@H+]3CCN[C@@H](C(=O)NC4CC4)C3)c2)cc1 ZINC000072144250 205310211 /nfs/dbraw/zinc/31/02/11/205310211.db2.gz RZGBILOLVDQQGY-OAQYLSRUSA-N 1 1 381.476 2.540 50 0 GFAAMO COc1ccc(Oc2cccc(C[N@H+]3CCN[C@@H](C(=O)NC4CC4)C3)c2)cc1 ZINC000072144250 205310215 /nfs/dbraw/zinc/31/02/15/205310215.db2.gz RZGBILOLVDQQGY-OAQYLSRUSA-N 1 1 381.476 2.540 50 0 GFAAMO COc1ccc2[nH]c(=O)c(C[NH+]3CCN(Cc4ncccc4C)CC3)cc2c1 ZINC000072151279 205311278 /nfs/dbraw/zinc/31/12/78/205311278.db2.gz PFKRGZBZMYSGEC-UHFFFAOYSA-N 1 1 378.476 2.558 50 0 GFAAMO COc1ccc2[nH]c(=O)c(CN3CC[NH+](Cc4ncccc4C)CC3)cc2c1 ZINC000072151279 205311284 /nfs/dbraw/zinc/31/12/84/205311284.db2.gz PFKRGZBZMYSGEC-UHFFFAOYSA-N 1 1 378.476 2.558 50 0 GFAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)cc1OC ZINC000072170245 205315812 /nfs/dbraw/zinc/31/58/12/205315812.db2.gz PRSUHTKLIZARLS-QGZVFWFLSA-N 1 1 386.496 2.514 50 0 GFAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)cc1OC ZINC000072170245 205315815 /nfs/dbraw/zinc/31/58/15/205315815.db2.gz PRSUHTKLIZARLS-QGZVFWFLSA-N 1 1 386.496 2.514 50 0 GFAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)cc1OC ZINC000072170245 205315818 /nfs/dbraw/zinc/31/58/18/205315818.db2.gz PRSUHTKLIZARLS-QGZVFWFLSA-N 1 1 386.496 2.514 50 0 GFAAMO CC(C)(O)CCc1cccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000072433272 205351680 /nfs/dbraw/zinc/35/16/80/205351680.db2.gz TXHHLPLCOGXLPV-UHFFFAOYSA-N 1 1 381.520 2.786 50 0 GFAAMO CC[N@H+]1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3nccs3)cc2C1=O ZINC000072448119 205352772 /nfs/dbraw/zinc/35/27/72/205352772.db2.gz QSSLQQJKQPBOSF-MRXNPFEDSA-N 1 1 384.505 2.513 50 0 GFAAMO Cc1nc2ccc(C(=O)N3CC[N@@H+](C4CCCC4)[C@@H](CCO)C3)cc2nc1C ZINC000072480487 205355581 /nfs/dbraw/zinc/35/55/81/205355581.db2.gz IHZBJYJRCFYKGN-IBGZPJMESA-N 1 1 382.508 2.698 50 0 GFAAMO CCC[C@H](C)N1CC2(CCN(C(=O)CCCn3cc[nH+]c3C)CC2)OC1=O ZINC000077375456 205360949 /nfs/dbraw/zinc/36/09/49/205360949.db2.gz VXSXZSRXJNFTOX-INIZCTEOSA-N 1 1 376.501 2.974 50 0 GFAAMO CCS[C@H](C)C(=O)N1CCC2(CN(CC[N@@H+](C)CC(C)C)C(=O)O2)CC1 ZINC000077524260 205365629 /nfs/dbraw/zinc/36/56/29/205365629.db2.gz VLHXTMDYFIQSBY-MRXNPFEDSA-N 1 1 385.574 2.529 50 0 GFAAMO COc1ccc2c(c1)c(C(=O)N1CC[NH+](CCc3ccccn3)CC1)cn2C ZINC000079494389 205384026 /nfs/dbraw/zinc/38/40/26/205384026.db2.gz UGZWYXVJIZGJPV-UHFFFAOYSA-N 1 1 378.476 2.582 50 0 GFAAMO COC[C@@H]1CCCN(C(=O)c2ccc(N3CCC[N@@H+](CC(C)C)CC3)nc2)C1 ZINC000106730128 205656939 /nfs/dbraw/zinc/65/69/39/205656939.db2.gz PJLSGLUYWZDDHY-LJQANCHMSA-N 1 1 388.556 2.748 50 0 GFAAMO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1cccn1C)[NH+]1CCCC1 ZINC000011846968 205869410 /nfs/dbraw/zinc/86/94/10/205869410.db2.gz BMHNGZWQSHZYGT-MRXNPFEDSA-N 1 1 397.928 2.803 50 0 GFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000223797970 206005714 /nfs/dbraw/zinc/00/57/14/206005714.db2.gz HEFQWIUCYCMLMJ-HNNXBMFYSA-N 1 1 376.888 2.703 50 0 GFAAMO Cc1cc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Cl)cc1Cl ZINC000096099720 206116280 /nfs/dbraw/zinc/11/62/80/206116280.db2.gz KOSRKPZYXMXSNZ-ZDUSSCGKSA-N 1 1 393.336 2.522 50 0 GFAAMO Cc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC(=O)N2C)cc1 ZINC000096182407 206121599 /nfs/dbraw/zinc/12/15/99/206121599.db2.gz WOGHZYBVCCIFOZ-GGAORHGYSA-N 1 1 391.515 2.859 50 0 GFAAMO CCCCn1nccc1NC(=O)N1CCCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000299767023 206186245 /nfs/dbraw/zinc/18/62/45/206186245.db2.gz ANJKIVUMDZUYFJ-GOSISDBHSA-N 1 1 376.549 2.707 50 0 GFAAMO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ccccn2)CC1 ZINC000046341846 132427269 /nfs/dbraw/zinc/42/72/69/132427269.db2.gz UWBFFYMDYYLWNL-CQSZACIVSA-N 1 1 382.291 2.950 50 0 GFAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(c3cnc4ccccc4n3)CC2)C1 ZINC000071747175 136165875 /nfs/dbraw/zinc/16/58/75/136165875.db2.gz SSHJPTRRPGXBJO-MRXNPFEDSA-N 1 1 379.508 2.589 50 0 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COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025359581 570412182 /nfs/dbraw/zinc/41/21/82/570412182.db2.gz UPPZBKUTCHTHHC-FQEVSTJZSA-N 1 1 395.503 2.611 50 0 GFAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025361367 570412230 /nfs/dbraw/zinc/41/22/30/570412230.db2.gz HWOYFLYCSGTGRR-FQEVSTJZSA-N 1 1 399.466 2.880 50 0 GFAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025361367 570412232 /nfs/dbraw/zinc/41/22/32/570412232.db2.gz HWOYFLYCSGTGRR-FQEVSTJZSA-N 1 1 399.466 2.880 50 0 GFAAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241969535 570432041 /nfs/dbraw/zinc/43/20/41/570432041.db2.gz UXENSPPBZGRRTI-HOCLYGCPSA-N 1 1 389.496 2.998 50 0 GFAAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241969535 570432044 /nfs/dbraw/zinc/43/20/44/570432044.db2.gz UXENSPPBZGRRTI-HOCLYGCPSA-N 1 1 389.496 2.998 50 0 GFAAMO COc1ccccc1O[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000027579629 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UNGATPQDGMSZFF-HXUWFJFHSA-N 1 1 381.520 2.781 50 0 GFAAMO CCS(=O)(=O)Nc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000077538086 205365271 /nfs/dbraw/zinc/36/52/71/205365271.db2.gz GSQXJMGFDQIGIJ-UHFFFAOYSA-N 1 1 379.526 2.539 50 0 GFAAMO CCC(=O)Nc1ccc(S(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)cc1 ZINC000079017769 205378879 /nfs/dbraw/zinc/37/88/79/205378879.db2.gz DBBVDEINDSZBQC-UHFFFAOYSA-N 1 1 379.526 2.674 50 0 GFAAMO CCC(=O)Nc1ccc(S(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC000079017769 205378884 /nfs/dbraw/zinc/37/88/84/205378884.db2.gz DBBVDEINDSZBQC-UHFFFAOYSA-N 1 1 379.526 2.674 50 0 GFAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc1 ZINC000082092022 205384933 /nfs/dbraw/zinc/38/49/33/205384933.db2.gz RLXPLFLBDODVMY-NRFANRHFSA-N 1 1 385.552 2.530 50 0 GFAAMO C[N@H+](CC(=O)Nc1ccc(Br)cc1)C[C@H]1CCn2ccnc2C1 ZINC000225671994 206065260 /nfs/dbraw/zinc/06/52/60/206065260.db2.gz SXFMMNLCEIYSLS-ZDUSSCGKSA-N 1 1 377.286 2.779 50 0 GFAAMO O=C(NCCc1cccs1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022930 206104044 /nfs/dbraw/zinc/10/40/44/206104044.db2.gz LVRFRLNWNXPUTL-MRXNPFEDSA-N 1 1 397.504 2.764 50 0 GFAAMO O=C(NCCc1cccs1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022930 206104047 /nfs/dbraw/zinc/10/40/47/206104047.db2.gz LVRFRLNWNXPUTL-MRXNPFEDSA-N 1 1 397.504 2.764 50 0 GFAAMO O=C(NCCc1cccs1)[C@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022931 206104909 /nfs/dbraw/zinc/10/49/09/206104909.db2.gz LVRFRLNWNXPUTL-INIZCTEOSA-N 1 1 397.504 2.764 50 0 GFAAMO O=C(NCCc1cccs1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022931 206104915 /nfs/dbraw/zinc/10/49/15/206104915.db2.gz LVRFRLNWNXPUTL-INIZCTEOSA-N 1 1 397.504 2.764 50 0 GFAAMO CCN1C[C@@H](C[N@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 ZINC000032814669 206093475 /nfs/dbraw/zinc/09/34/75/206093475.db2.gz MQWRVHHPKKOHRH-TZIWHRDSSA-N 1 1 398.503 2.848 50 0 GFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 ZINC000032814669 206093478 /nfs/dbraw/zinc/09/34/78/206093478.db2.gz MQWRVHHPKKOHRH-TZIWHRDSSA-N 1 1 398.503 2.848 50 0 GFAAMO Cc1cc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000252527950 206142776 /nfs/dbraw/zinc/14/27/76/206142776.db2.gz DUMMDWSZDNAXRD-WMZOPIPTSA-N 1 1 377.492 2.917 50 0 GFAAMO Cc1csc2nc(CNC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cn12 ZINC000244873594 206131157 /nfs/dbraw/zinc/13/11/57/206131157.db2.gz WSQMYFCCTQKHOZ-GOSISDBHSA-N 1 1 384.505 2.612 50 0 GFAAMO Cc1csc2nc(CNC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cn12 ZINC000244873594 206131165 /nfs/dbraw/zinc/13/11/65/206131165.db2.gz WSQMYFCCTQKHOZ-GOSISDBHSA-N 1 1 384.505 2.612 50 0 GFAAMO CCCCn1nccc1NC(=O)N1CCCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000299767024 206185888 /nfs/dbraw/zinc/18/58/88/206185888.db2.gz ANJKIVUMDZUYFJ-SFHVURJKSA-N 1 1 376.549 2.707 50 0 GFAAMO CC[C@H]1CN(CC(=O)NCC[C@@H]2CCC[N@H+]2C)Cc2ccc(Cl)cc2O1 ZINC000299771516 206188635 /nfs/dbraw/zinc/18/86/35/206188635.db2.gz PXHRDUSIZPMQND-ROUUACIJSA-N 1 1 379.932 2.914 50 0 GFAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1[NH2+]CCc2cc3c(c(OC)c21)OCO3 ZINC000065748256 206225197 /nfs/dbraw/zinc/22/51/97/206225197.db2.gz ZPSPOYAHTOQXBP-SJORKVTESA-N 1 1 399.399 2.540 50 0 in-vitro GFAAMO Cn1c(=O)c2c3c(sc2nc1N1CC[NH+](Cc2ccccc2)CC1)CCC3 ZINC000061966175 136156281 /nfs/dbraw/zinc/15/62/81/136156281.db2.gz BNOQGGBTEXLVMV-UHFFFAOYSA-N 1 1 380.517 2.806 50 0 GFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000063928768 136156487 /nfs/dbraw/zinc/15/64/87/136156487.db2.gz JTKJCJFAMUTESI-UHFFFAOYSA-N 1 1 379.504 2.701 50 0 GFAAMO Cc1cccc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)c1C ZINC000065364581 136163771 /nfs/dbraw/zinc/16/37/71/136163771.db2.gz LYUZCTXOMLVQGH-UHFFFAOYSA-N 1 1 391.479 2.942 50 0 GFAAMO C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072438150 136170496 /nfs/dbraw/zinc/17/04/96/136170496.db2.gz WVBPYUGUGQQWMB-GOSISDBHSA-N 1 1 395.507 2.583 50 0 GFAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cnccn4)CC3)nc(C)[nH+]2)cc1 ZINC000077134249 136171705 /nfs/dbraw/zinc/17/17/05/136171705.db2.gz ODJCVOBNFFWXEP-UHFFFAOYSA-N 1 1 389.463 2.589 50 0 GFAAMO Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)n1 ZINC000095474508 136179528 /nfs/dbraw/zinc/17/95/28/136179528.db2.gz ZALXBUPLKWCELC-SLFFLAALSA-N 1 1 385.556 2.691 50 0 GFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095506077 136180162 /nfs/dbraw/zinc/18/01/62/136180162.db2.gz HUNVEUIRLRPXGJ-OAHLLOKOSA-N 1 1 387.447 2.999 50 0 GFAAMO CCc1cc(N2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)nc(N(C)C)n1 ZINC000095527772 136181720 /nfs/dbraw/zinc/18/17/20/136181720.db2.gz MNNZJQBRXPNLFP-IBGZPJMESA-N 1 1 387.503 2.536 50 0 GFAAMO O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426716160 534750707 /nfs/dbraw/zinc/75/07/07/534750707.db2.gz SEITXRLXZVYFFR-GOSISDBHSA-N 1 1 384.501 2.581 50 0 GFAAMO O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000426716160 534750714 /nfs/dbraw/zinc/75/07/14/534750714.db2.gz SEITXRLXZVYFFR-GOSISDBHSA-N 1 1 384.501 2.581 50 0 GFAAMO CC(C)C(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000426392637 527485435 /nfs/dbraw/zinc/48/54/35/527485435.db2.gz ATRLCTSMNPRRQC-QHCPKHFHSA-N 1 1 385.552 2.706 50 0 GFAAMO CC(C)[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccccc4)CC3)n2)CC1 ZINC000065211477 535195073 /nfs/dbraw/zinc/19/50/73/535195073.db2.gz CABLQNITPHPBLH-UHFFFAOYSA-N 1 1 399.564 2.636 50 0 GFAAMO CCNc1cc[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)n1 ZINC000091636411 535527636 /nfs/dbraw/zinc/52/76/36/535527636.db2.gz NYDGSHUYFAPOBH-MRXNPFEDSA-N 1 1 397.527 2.785 50 0 GFAAMO O=C(c1cncc(Br)c1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575605369 564700328 /nfs/dbraw/zinc/70/03/28/564700328.db2.gz DUFLKUUOCSPAOW-UHFFFAOYSA-N 1 1 384.343 2.888 50 0 GFAAMO COCCOc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000096148926 570214474 /nfs/dbraw/zinc/21/44/74/570214474.db2.gz CPVCZUOGONHBSM-IBGZPJMESA-N 1 1 384.480 2.893 50 0 GFAAMO COCCOc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000096148926 570214476 /nfs/dbraw/zinc/21/44/76/570214476.db2.gz CPVCZUOGONHBSM-IBGZPJMESA-N 1 1 384.480 2.893 50 0 GFAAMO Cc1cc(C(=O)N2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)c(C)o1 ZINC000096152723 570215858 /nfs/dbraw/zinc/21/58/58/570215858.db2.gz WDNMTVITVJVYGX-UHFFFAOYSA-N 1 1 382.468 2.598 50 0 GFAAMO COc1cc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000019790724 570218966 /nfs/dbraw/zinc/21/89/66/570218966.db2.gz DARFYJFEXIDJBX-SFHVURJKSA-N 1 1 378.513 2.524 50 0 GFAAMO COC(=O)c1ccc(CN2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000019840224 570224846 /nfs/dbraw/zinc/22/48/46/570224846.db2.gz LENUXIUHXOTTMO-NRFANRHFSA-N 1 1 398.503 2.551 50 0 GFAAMO COC(=O)c1ccc(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000019840224 570224849 /nfs/dbraw/zinc/22/48/49/570224849.db2.gz LENUXIUHXOTTMO-NRFANRHFSA-N 1 1 398.503 2.551 50 0 GFAAMO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000019840224 570224852 /nfs/dbraw/zinc/22/48/52/570224852.db2.gz LENUXIUHXOTTMO-NRFANRHFSA-N 1 1 398.503 2.551 50 0 GFAAMO COC(=O)c1ccc(C[N@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000019840224 570224853 /nfs/dbraw/zinc/22/48/53/570224853.db2.gz LENUXIUHXOTTMO-NRFANRHFSA-N 1 1 398.503 2.551 50 0 GFAAMO Cc1nc(NC(=O)c2ccc([C@H]3CCC[N@H+]3CCCn3cccn3)s2)n[nH]1 ZINC000019866623 570226414 /nfs/dbraw/zinc/22/64/14/570226414.db2.gz HFLACYKLOVKHRR-CQSZACIVSA-N 1 1 385.497 2.851 50 0 GFAAMO Cc1nnc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CCCn3cccn3)s2)[nH]1 ZINC000019866623 570226419 /nfs/dbraw/zinc/22/64/19/570226419.db2.gz HFLACYKLOVKHRR-CQSZACIVSA-N 1 1 385.497 2.851 50 0 GFAAMO Cc1nnc(NC(=O)c2ccc([C@H]3CCC[N@H+]3CCCn3cccn3)s2)[nH]1 ZINC000019866623 570226422 /nfs/dbraw/zinc/22/64/22/570226422.db2.gz HFLACYKLOVKHRR-CQSZACIVSA-N 1 1 385.497 2.851 50 0 GFAAMO Cc1nn(C)cc1-c1ccnc(N2CCC[N@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000020109847 570240827 /nfs/dbraw/zinc/24/08/27/570240827.db2.gz SIIAHRGJUNXICA-UHFFFAOYSA-N 1 1 388.519 2.865 50 0 GFAAMO CCn1c(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)nc2ccccc21 ZINC000020203148 570247607 /nfs/dbraw/zinc/24/76/07/570247607.db2.gz CEZNWMMDSSNNIH-FQEVSTJZSA-N 1 1 393.535 2.828 50 0 GFAAMO CCn1c(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)nc2ccccc21 ZINC000020203148 570247610 /nfs/dbraw/zinc/24/76/10/570247610.db2.gz CEZNWMMDSSNNIH-FQEVSTJZSA-N 1 1 393.535 2.828 50 0 GFAAMO COc1cc(/C=C/CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)ccc1O ZINC000105279918 570260543 /nfs/dbraw/zinc/26/05/43/570260543.db2.gz BRQHIQWRUYTWLY-KOXUSJRISA-N 1 1 397.519 2.686 50 0 GFAAMO COc1cc(/C=C/CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)ccc1O ZINC000105279918 570260545 /nfs/dbraw/zinc/26/05/45/570260545.db2.gz BRQHIQWRUYTWLY-KOXUSJRISA-N 1 1 397.519 2.686 50 0 GFAAMO COc1cc(/C=C/C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)ccc1O ZINC000105279918 570260546 /nfs/dbraw/zinc/26/05/46/570260546.db2.gz BRQHIQWRUYTWLY-KOXUSJRISA-N 1 1 397.519 2.686 50 0 GFAAMO COc1cc(/C=C/C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)ccc1O ZINC000105279918 570260548 /nfs/dbraw/zinc/26/05/48/570260548.db2.gz BRQHIQWRUYTWLY-KOXUSJRISA-N 1 1 397.519 2.686 50 0 GFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cn(CC)nc2C)C[C@@H]1CCO ZINC000020537992 570266325 /nfs/dbraw/zinc/26/63/25/570266325.db2.gz MSRKDXAWDHBVRA-NRFANRHFSA-N 1 1 386.540 2.679 50 0 GFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cn(CC)nc2C)C[C@@H]1CCO ZINC000020537992 570266327 /nfs/dbraw/zinc/26/63/27/570266327.db2.gz MSRKDXAWDHBVRA-NRFANRHFSA-N 1 1 386.540 2.679 50 0 GFAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C1 ZINC000015880163 570282482 /nfs/dbraw/zinc/28/24/82/570282482.db2.gz WSSIAVPONWOKTF-UHFFFAOYSA-N 1 1 377.466 2.799 50 0 GFAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc2C1 ZINC000015880163 570282484 /nfs/dbraw/zinc/28/24/84/570282484.db2.gz WSSIAVPONWOKTF-UHFFFAOYSA-N 1 1 377.466 2.799 50 0 GFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000021326072 570290124 /nfs/dbraw/zinc/29/01/24/570290124.db2.gz MHGRSJLXCZOBBE-UHFFFAOYSA-N 1 1 376.460 2.749 50 0 GFAAMO NC(=O)C1([NH+]2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000021297287 570290141 /nfs/dbraw/zinc/29/01/41/570290141.db2.gz AXKPFOAXAHJUAG-UHFFFAOYSA-N 1 1 375.488 2.594 50 0 world GFAAMO CCCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1OCC ZINC000022693351 570324836 /nfs/dbraw/zinc/32/48/36/570324836.db2.gz ZORFZBGVJABIAI-GOSISDBHSA-N 1 1 378.513 2.961 50 0 GFAAMO CC[N@H+]1CCC[C@@H]1CNCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000022793340 570328264 /nfs/dbraw/zinc/32/82/64/570328264.db2.gz FBSFGYUFBHPDHW-OAHLLOKOSA-N 1 1 386.521 2.526 50 0 GFAAMO CCN1CCC[C@@H]1C[NH2+]CC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000022793340 570328267 /nfs/dbraw/zinc/32/82/67/570328267.db2.gz FBSFGYUFBHPDHW-OAHLLOKOSA-N 1 1 386.521 2.526 50 0 GFAAMO C[NH+]1CCN([C@@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1 ZINC000022917660 570335525 /nfs/dbraw/zinc/33/55/25/570335525.db2.gz CLCICEDAPOAWFO-SFHVURJKSA-N 1 1 388.606 2.743 50 0 GFAAMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023409856 570361582 /nfs/dbraw/zinc/36/15/82/570361582.db2.gz XGKSUZKZUHDEOS-QGZVFWFLSA-N 1 1 395.425 2.971 50 0 GFAAMO CCc1sc(C(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C ZINC000024443808 570383823 /nfs/dbraw/zinc/38/38/23/570383823.db2.gz ILOYBLDXYNYCLS-QGZVFWFLSA-N 1 1 385.533 2.864 50 0 GFAAMO CCc1sc(C(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C ZINC000024443808 570383829 /nfs/dbraw/zinc/38/38/29/570383829.db2.gz ILOYBLDXYNYCLS-QGZVFWFLSA-N 1 1 385.533 2.864 50 0 GFAAMO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025359700 570412206 /nfs/dbraw/zinc/41/22/06/570412206.db2.gz YCXULDUFNPMAJQ-LJQANCHMSA-N 1 1 395.503 2.611 50 0 GFAAMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000030336485 570488305 /nfs/dbraw/zinc/48/83/05/570488305.db2.gz WWLVIQKQUOVKKC-UHFFFAOYSA-N 1 1 378.469 2.561 50 0 GFAAMO O=C(NC1CCN(Cc2ccccc2F)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056443142 570541433 /nfs/dbraw/zinc/54/14/33/570541433.db2.gz KGFOQQYAJINZRU-UHFFFAOYSA-N 1 1 397.498 2.717 50 0 GFAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3cc(=O)c4ccccc4[nH]3)C2)CC1 ZINC000012448314 570667218 /nfs/dbraw/zinc/66/72/18/570667218.db2.gz IUNHCLKUYPJIET-GOSISDBHSA-N 1 1 396.535 2.707 50 0 GFAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cnc(C)cn3)C2)cc1 ZINC000012478078 570674243 /nfs/dbraw/zinc/67/42/43/570674243.db2.gz ZNFAEFHPWYGUBV-LJQANCHMSA-N 1 1 382.508 2.820 50 0 GFAAMO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)sc2n1 ZINC000012797318 570716520 /nfs/dbraw/zinc/71/65/20/570716520.db2.gz DHKJSFHWJFFVRU-OAHLLOKOSA-N 1 1 398.488 2.958 50 0 GFAAMO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)sc2n1 ZINC000012797318 570716523 /nfs/dbraw/zinc/71/65/23/570716523.db2.gz DHKJSFHWJFFVRU-OAHLLOKOSA-N 1 1 398.488 2.958 50 0 GFAAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000032776733 570798884 /nfs/dbraw/zinc/79/88/84/570798884.db2.gz MUQICPWMGZHQPU-OAQYLSRUSA-N 1 1 394.519 2.966 50 0 GFAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000032768829 570803447 /nfs/dbraw/zinc/80/34/47/570803447.db2.gz NNAMYQIDDRZBIH-HXUWFJFHSA-N 1 1 399.466 2.880 50 0 GFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000032768829 570803449 /nfs/dbraw/zinc/80/34/49/570803449.db2.gz NNAMYQIDDRZBIH-HXUWFJFHSA-N 1 1 399.466 2.880 50 0 GFAAMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014163411 570825839 /nfs/dbraw/zinc/82/58/39/570825839.db2.gz JVWPVXJXZYZQJA-GOSISDBHSA-N 1 1 381.476 2.646 50 0 GFAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@@H](C)O1 ZINC000032824483 570839046 /nfs/dbraw/zinc/83/90/46/570839046.db2.gz BOKJZJXSRVRLER-HZPDHXFCSA-N 1 1 382.460 2.955 50 0 GFAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@H](O)CO)cc1F ZINC000014961644 570866587 /nfs/dbraw/zinc/86/65/87/570866587.db2.gz UCRHJBXKMUFLGP-SFHVURJKSA-N 1 1 399.466 2.780 50 0 GFAAMO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000014966113 570867349 /nfs/dbraw/zinc/86/73/49/570867349.db2.gz IVZXDWOUSMSWNU-SFHVURJKSA-N 1 1 378.561 2.683 50 0 GFAAMO COC(=O)CCCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000014981181 570869647 /nfs/dbraw/zinc/86/96/47/570869647.db2.gz NWHPPDLWPNBJOT-KRWDZBQOSA-N 1 1 378.488 2.882 50 0 GFAAMO Cc1n[nH]c(C)c1CN(C)C(=O)C1([N@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015041958 570873678 /nfs/dbraw/zinc/87/36/78/570873678.db2.gz XPBWTVRRPFKJTH-IYBDPMFKSA-N 1 1 396.535 2.632 50 0 GFAAMO Cc1n[nH]c(C)c1CN(C)C(=O)C1([N@@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015041958 570873679 /nfs/dbraw/zinc/87/36/79/570873679.db2.gz XPBWTVRRPFKJTH-IYBDPMFKSA-N 1 1 396.535 2.632 50 0 GFAAMO O=C(CCC1CCCC1)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000015067316 570876165 /nfs/dbraw/zinc/87/61/65/570876165.db2.gz ATKHAMDDYTVNBQ-SFHVURJKSA-N 1 1 375.557 2.938 50 0 GFAAMO C[N@H+]1CCC[C@@H](NC(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 ZINC000534665454 570919476 /nfs/dbraw/zinc/91/94/76/570919476.db2.gz QVLYZINSNBNPRD-GOSISDBHSA-N 1 1 382.464 2.616 50 0 GFAAMO O=C1CN(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C(=O)N1CC(F)(F)F ZINC000585148489 570982135 /nfs/dbraw/zinc/98/21/35/570982135.db2.gz JWBLKKQTZRCPED-UHFFFAOYSA-N 1 1 391.340 2.756 50 0 GFAAMO CC(C)n1ncc2c1C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CC2 ZINC000170681765 571009508 /nfs/dbraw/zinc/00/95/08/571009508.db2.gz RPFOQQWSAGILFI-NHCUHLMSSA-N 1 1 396.535 2.729 50 0 GFAAMO CC(C)n1ncc2c1C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CC2 ZINC000170681765 571009511 /nfs/dbraw/zinc/00/95/11/571009511.db2.gz RPFOQQWSAGILFI-NHCUHLMSSA-N 1 1 396.535 2.729 50 0 GFAAMO CCc1nn2c(nc(C[N@H+](CCOC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032224 571013376 /nfs/dbraw/zinc/01/33/76/571013376.db2.gz ULARIIQPKFIBOK-UHFFFAOYSA-N 1 1 376.457 2.501 50 0 GFAAMO CCc1nn2c(nc(C[N@@H+](CCOC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032224 571013380 /nfs/dbraw/zinc/01/33/80/571013380.db2.gz ULARIIQPKFIBOK-UHFFFAOYSA-N 1 1 376.457 2.501 50 0 GFAAMO CCCc1nn2c(nc(C[N@H+](CCOC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032226 571013541 /nfs/dbraw/zinc/01/35/41/571013541.db2.gz NXCJIAFAGQOCCJ-UHFFFAOYSA-N 1 1 390.484 2.891 50 0 GFAAMO CCCc1nn2c(nc(C[N@@H+](CCOC)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032226 571013548 /nfs/dbraw/zinc/01/35/48/571013548.db2.gz NXCJIAFAGQOCCJ-UHFFFAOYSA-N 1 1 390.484 2.891 50 0 GFAAMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1)N1CCc2ccccc2C1 ZINC000084581973 571024093 /nfs/dbraw/zinc/02/40/93/571024093.db2.gz HCWVULMNRXTJIQ-NRFANRHFSA-N 1 1 383.536 2.686 50 0 GFAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)c(C)c(Cl)c2)C[C@@H]1CO ZINC000091706316 571026822 /nfs/dbraw/zinc/02/68/22/571026822.db2.gz OTTDJPNVFJUFSP-HUUCEWRRSA-N 1 1 389.323 2.561 50 0 GFAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2coc3cc(C)c(Cl)cc23)C[C@@H]1CO ZINC000091914739 571036205 /nfs/dbraw/zinc/03/62/05/571036205.db2.gz KACLOXDWVPUJCS-HZPDHXFCSA-N 1 1 378.900 2.956 50 0 GFAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1conc1-c1ccccc1)CC2 ZINC000091987631 571039036 /nfs/dbraw/zinc/03/90/36/571039036.db2.gz UQSJLJNPQDSYPK-UHFFFAOYSA-N 1 1 377.448 2.684 50 0 GFAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1conc1-c1ccccc1)CC2 ZINC000091987631 571039042 /nfs/dbraw/zinc/03/90/42/571039042.db2.gz UQSJLJNPQDSYPK-UHFFFAOYSA-N 1 1 377.448 2.684 50 0 GFAAMO O=C(Cc1ccccn1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355123 571051813 /nfs/dbraw/zinc/05/18/13/571051813.db2.gz NLSHWTHTEUPOHU-KSEOMHKRSA-N 1 1 383.442 2.991 50 0 GFAAMO CC(C)CN1CC2(CC1=O)CCN(C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000095357551 571052900 /nfs/dbraw/zinc/05/29/00/571052900.db2.gz ZLCLOEURRHBJTB-HXUWFJFHSA-N 1 1 389.515 2.926 50 0 GFAAMO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095358683 571053762 /nfs/dbraw/zinc/05/37/62/571053762.db2.gz VRZZDNNGUOKMIU-OXJNMPFZSA-N 1 1 376.504 2.743 50 0 GFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CCN(Cc3ccccc3)C2=O)CC1 ZINC000095380378 571067164 /nfs/dbraw/zinc/06/71/64/571067164.db2.gz YYKBFCGJTORCBN-HXUWFJFHSA-N 1 1 383.536 2.902 50 0 GFAAMO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095384879 571070048 /nfs/dbraw/zinc/07/00/48/571070048.db2.gz QKNSEDLAVRDMQA-CEWLAPEOSA-N 1 1 377.479 2.694 50 0 GFAAMO O=C(CCC1CC[NH+](Cc2ncccn2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000095501469 571076746 /nfs/dbraw/zinc/07/67/46/571076746.db2.gz LFBJTXSCQMEZHO-UHFFFAOYSA-N 1 1 382.464 2.879 50 0 GFAAMO COc1ccccc1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095502018 571076812 /nfs/dbraw/zinc/07/68/12/571076812.db2.gz LXHCBXIBZATYPT-UHFFFAOYSA-N 1 1 380.492 2.704 50 0 GFAAMO O=C(CCC1CCN(Cc2ncc[nH]2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095505372 571078625 /nfs/dbraw/zinc/07/86/25/571078625.db2.gz SEPBJFWKFDBOJK-OAQYLSRUSA-N 1 1 395.551 2.793 50 0 GFAAMO CNc1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cn1 ZINC000095512919 571083023 /nfs/dbraw/zinc/08/30/23/571083023.db2.gz OSDQKVLHOBQIJB-KRWDZBQOSA-N 1 1 397.523 2.554 50 0 GFAAMO Cc1nccn1[C@H](C)C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000095519148 571085696 /nfs/dbraw/zinc/08/56/96/571085696.db2.gz GBZCSQRPPFCURN-MRXNPFEDSA-N 1 1 384.528 2.508 50 0 GFAAMO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000095519994 571086053 /nfs/dbraw/zinc/08/60/53/571086053.db2.gz KOMOYXQAVSSREC-UHFFFAOYSA-N 1 1 380.496 2.731 50 0 GFAAMO COc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc1F ZINC000095521754 571087016 /nfs/dbraw/zinc/08/70/16/571087016.db2.gz UMKJPLIDOWKKOB-UHFFFAOYSA-N 1 1 398.482 2.843 50 0 GFAAMO CCn1nc(CNC(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)c2ccccc21 ZINC000426432148 231220878 /nfs/dbraw/zinc/22/08/78/231220878.db2.gz XSFKTYCKQFNPPP-HXUWFJFHSA-N 1 1 380.448 2.704 50 0 GFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc2nccnc2c1 ZINC000409414436 231203691 /nfs/dbraw/zinc/20/36/91/231203691.db2.gz QSOPFYWXWAZOMQ-GHTZIAJQSA-N 1 1 382.508 2.983 50 0 GFAAMO O=C(Cn1c(=O)oc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000426493882 231229297 /nfs/dbraw/zinc/22/92/97/231229297.db2.gz AUVRXYQMDUAWLA-JOCHJYFZSA-N 1 1 383.492 2.709 50 0 GFAAMO C[NH+](C)[C@@H](C(=O)NCc1ccccc1-n1cccn1)c1ccc2c(c1)OCO2 ZINC000426722435 231255538 /nfs/dbraw/zinc/25/55/38/231255538.db2.gz MHVBHPLHWKWIHD-HXUWFJFHSA-N 1 1 378.432 2.520 50 0 GFAAMO CNC(=O)c1ccnc(N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000426563096 529952499 /nfs/dbraw/zinc/95/24/99/529952499.db2.gz BSDKPFCXJVDQCC-HSZRJFAPSA-N 1 1 378.520 2.976 50 0 GFAAMO Cc1ccc(-c2ccc(C(=O)N3CC([NH+]4CCC(C(N)=O)CC4)C3)cc2)cc1 ZINC000253472639 222742199 /nfs/dbraw/zinc/74/21/99/222742199.db2.gz OAVVNNKPEIPZKO-UHFFFAOYSA-N 1 1 377.488 2.684 50 0 GFAAMO COc1ccc([C@@H](CNS(=O)(=O)c2cccc(F)c2)[NH+]2CCCC2)cc1 ZINC000007779353 204249831 /nfs/dbraw/zinc/24/98/31/204249831.db2.gz ULUOSBMMIISHBM-LJQANCHMSA-N 1 1 378.469 2.950 50 0 GFAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000008768166 204290091 /nfs/dbraw/zinc/29/00/91/204290091.db2.gz YOTIDOANGYFEDL-QUCCMNQESA-N 1 1 388.471 2.690 50 0 GFAAMO Cc1nc(-c2ccccc2)nc2sc3c(nnn(CC[NH+]4CCCC4)c3=O)c21 ZINC000008990744 204296001 /nfs/dbraw/zinc/29/60/01/204296001.db2.gz KCRUTWAZJVOHHF-UHFFFAOYSA-N 1 1 392.488 2.867 50 0 GFAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)c2ccccc2O1 ZINC000009711583 204322301 /nfs/dbraw/zinc/32/23/01/204322301.db2.gz ZSCYKJIVUUZHRU-NRFANRHFSA-N 1 1 395.503 2.782 50 0 GFAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)c2ccccc2O1 ZINC000009711583 204322304 /nfs/dbraw/zinc/32/23/04/204322304.db2.gz ZSCYKJIVUUZHRU-NRFANRHFSA-N 1 1 395.503 2.782 50 0 GFAAMO CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)Cc1cccc(F)c1 ZINC000011434885 204346951 /nfs/dbraw/zinc/34/69/51/204346951.db2.gz ATTPJHDAKGNIBC-FQEVSTJZSA-N 1 1 384.451 2.774 50 0 GFAAMO CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)Cc1cccc(F)c1 ZINC000011434885 204346953 /nfs/dbraw/zinc/34/69/53/204346953.db2.gz ATTPJHDAKGNIBC-FQEVSTJZSA-N 1 1 384.451 2.774 50 0 GFAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000011666639 204349720 /nfs/dbraw/zinc/34/97/20/204349720.db2.gz 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/nfs/dbraw/zinc/23/91/02/552239102.db2.gz SWYPUOUTPLOUNB-AWEZNQCLSA-N 1 1 377.535 2.521 50 0 GFAAMO CSCc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000019742304 570212906 /nfs/dbraw/zinc/21/29/06/570212906.db2.gz XNTVTYXQGNIOPZ-MRXNPFEDSA-N 1 1 393.553 2.549 50 0 GFAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(C)c1 ZINC000019745096 570213151 /nfs/dbraw/zinc/21/31/51/570213151.db2.gz KQDCLDTYMBCZOH-UHFFFAOYSA-N 1 1 393.491 2.519 50 0 GFAAMO CCOC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000096149936 570214826 /nfs/dbraw/zinc/21/48/26/570214826.db2.gz NWBQYSLRTCBTIE-UHFFFAOYSA-N 1 1 382.464 2.998 50 0 GFAAMO CCOC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000096149936 570214829 /nfs/dbraw/zinc/21/48/29/570214829.db2.gz NWBQYSLRTCBTIE-UHFFFAOYSA-N 1 1 382.464 2.998 50 0 GFAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)c1 ZINC000019757205 570216284 /nfs/dbraw/zinc/21/62/84/570216284.db2.gz HQIHRGCOJNMVAW-SFHVURJKSA-N 1 1 398.532 2.769 50 0 GFAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)c1 ZINC000019757205 570216285 /nfs/dbraw/zinc/21/62/85/570216285.db2.gz HQIHRGCOJNMVAW-SFHVURJKSA-N 1 1 398.532 2.769 50 0 GFAAMO O=C(NCCCc1ccccc1F)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000096180450 570218832 /nfs/dbraw/zinc/21/88/32/570218832.db2.gz FWJYUMIOSPRPGO-NFBKMPQASA-N 1 1 381.495 2.596 50 0 GFAAMO NS(=O)(=O)N1CC[NH+](Cc2cccc(-c3ccc4ccccc4c3)c2)CC1 ZINC000097570960 570246481 /nfs/dbraw/zinc/24/64/81/570246481.db2.gz IDJOFRMRNYCMBS-UHFFFAOYSA-N 1 1 381.501 2.828 50 0 GFAAMO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCC[N@@H+](C)Cc2ccccc2)c1C ZINC000085698049 570252813 /nfs/dbraw/zinc/25/28/13/570252813.db2.gz WMTKLYGPXBJTNR-UHFFFAOYSA-N 1 1 385.508 2.989 50 0 GFAAMO COc1cc(CN2CC[N@@H+](CCc3ccccc3)C[C@H]2CCO)cc(OC)c1 ZINC000104316409 570256300 /nfs/dbraw/zinc/25/63/00/570256300.db2.gz ANSQCCOWMWJIPI-OAQYLSRUSA-N 1 1 384.520 2.815 50 0 GFAAMO CCc1ccc(CN(C)Cc2cc3n(n2)CCC[N@@H+](C[C@H]2CCOC2)C3)nc1 ZINC000107005031 570261349 /nfs/dbraw/zinc/26/13/49/570261349.db2.gz SPDSBWRRBRQCQJ-LJQANCHMSA-N 1 1 383.540 2.715 50 0 GFAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](CC(C)C)CC2 ZINC000020542900 570267190 /nfs/dbraw/zinc/26/71/90/570267190.db2.gz XKTVQZNAVJIKQO-GOSISDBHSA-N 1 1 384.528 2.704 50 0 GFAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020599920 570269605 /nfs/dbraw/zinc/26/96/05/570269605.db2.gz SBXPXZTVNZJMSY-INIZCTEOSA-N 1 1 385.512 2.568 50 0 GFAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000020601471 570270321 /nfs/dbraw/zinc/27/03/21/570270321.db2.gz AKNRIDMNFBHHDR-FQEVSTJZSA-N 1 1 399.539 2.958 50 0 GFAAMO CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)C[C@H]1COc2ccccc2O1 ZINC000012911066 570291380 /nfs/dbraw/zinc/29/13/80/570291380.db2.gz ONSOCWGGLYLYNG-KRWDZBQOSA-N 1 1 399.447 2.505 50 0 GFAAMO CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)C[C@H]1COc2ccccc2O1 ZINC000012911066 570291382 /nfs/dbraw/zinc/29/13/82/570291382.db2.gz ONSOCWGGLYLYNG-KRWDZBQOSA-N 1 1 399.447 2.505 50 0 GFAAMO O=C(c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1)N1CCOCC1 ZINC000034668363 570292953 /nfs/dbraw/zinc/29/29/53/570292953.db2.gz YSVWHERBGBGLMO-UHFFFAOYSA-N 1 1 383.467 2.620 50 0 GFAAMO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](CCOc2ccc(F)cc2)CC1 ZINC000014180684 570294662 /nfs/dbraw/zinc/29/46/62/570294662.db2.gz PRUDSPWTAWMAKZ-UHFFFAOYSA-N 1 1 396.459 2.740 50 0 GFAAMO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](CCOc2ccc(F)cc2)CC1 ZINC000014180684 570294664 /nfs/dbraw/zinc/29/46/64/570294664.db2.gz PRUDSPWTAWMAKZ-UHFFFAOYSA-N 1 1 396.459 2.740 50 0 GFAAMO COc1cc(C[N@H+](C)Cc2cc(=O)n3nc(C)sc3n2)ccc1OC(F)F ZINC000043272988 570298598 /nfs/dbraw/zinc/29/85/98/570298598.db2.gz XOYOJBLTNLXVOY-UHFFFAOYSA-N 1 1 396.419 2.701 50 0 GFAAMO COc1cc(C[N@@H+](C)Cc2cc(=O)n3nc(C)sc3n2)ccc1OC(F)F ZINC000043272988 570298602 /nfs/dbraw/zinc/29/86/02/570298602.db2.gz XOYOJBLTNLXVOY-UHFFFAOYSA-N 1 1 396.419 2.701 50 0 GFAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N1CC[NH+](C)CC1)C[C@H](C)CC2 ZINC000022037163 570302722 /nfs/dbraw/zinc/30/27/22/570302722.db2.gz WMFHFNDQFCIIRZ-KGLIPLIRSA-N 1 1 393.553 2.624 50 0 GFAAMO O=C(COc1ccc(C2SCCCS2)cc1)NCCC[NH+]1CCOCC1 ZINC000022688219 570324528 /nfs/dbraw/zinc/32/45/28/570324528.db2.gz FEQQDACEAOSDIT-UHFFFAOYSA-N 1 1 396.578 2.773 50 0 GFAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1 ZINC000022913547 570334205 /nfs/dbraw/zinc/33/42/05/570334205.db2.gz OOUJGJJERQPVJB-NRFANRHFSA-N 1 1 382.504 2.835 50 0 GFAAMO Cn1cc(C2=CC[N@H+](CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC000035403427 570350636 /nfs/dbraw/zinc/35/06/36/570350636.db2.gz FBKPGWFOUVAGCC-UHFFFAOYSA-N 1 1 399.926 2.511 50 0 GFAAMO Cn1cc(C2=CC[N@@H+](CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC000035403427 570350640 /nfs/dbraw/zinc/35/06/40/570350640.db2.gz FBKPGWFOUVAGCC-UHFFFAOYSA-N 1 1 399.926 2.511 50 0 GFAAMO CCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264315 570353682 /nfs/dbraw/zinc/35/36/82/570353682.db2.gz SQJFPBQPHGBKIT-WTNAPCKOSA-N 1 1 388.508 3.000 50 0 GFAAMO CCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006264315 570353687 /nfs/dbraw/zinc/35/36/87/570353687.db2.gz SQJFPBQPHGBKIT-WTNAPCKOSA-N 1 1 388.508 3.000 50 0 GFAAMO Cc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)cc1 ZINC000023373521 570357864 /nfs/dbraw/zinc/35/78/64/570357864.db2.gz CKRCUWVJZAFVHC-FQEVSTJZSA-N 1 1 378.520 2.951 50 0 GFAAMO CCn1ncc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C ZINC000023373575 570357895 /nfs/dbraw/zinc/35/78/95/570357895.db2.gz OPUNMPATZMCDBX-NRFANRHFSA-N 1 1 386.540 2.597 50 0 GFAAMO Cc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc(C)c1O ZINC000023374327 570358294 /nfs/dbraw/zinc/35/82/94/570358294.db2.gz HIXDFCZDSGJZHW-QFIPXVFZSA-N 1 1 389.584 2.750 50 0 GFAAMO CC(=O)N1CC[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000023386752 570360272 /nfs/dbraw/zinc/36/02/72/570360272.db2.gz FQEUOXMMQPLUQG-FYYLOGMGSA-N 1 1 382.504 2.626 50 0 GFAAMO O=S(=O)(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000011999396 570452818 /nfs/dbraw/zinc/45/28/18/570452818.db2.gz TWDUZNSEUISIEM-QGZVFWFLSA-N 1 1 392.452 2.670 50 0 GFAAMO O=C(NCCc1ccc2c(c1)OCO2)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000043888390 570542099 /nfs/dbraw/zinc/54/20/99/570542099.db2.gz HEPFLNWNKNBEBM-UHFFFAOYSA-N 1 1 387.505 2.937 50 0 GFAAMO Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2C)no1 ZINC000012434437 570661686 /nfs/dbraw/zinc/66/16/86/570661686.db2.gz IAGGBLQJCXTKCE-INIZCTEOSA-N 1 1 381.480 2.937 50 0 GFAAMO Cc1nnc(SCC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)o1 ZINC000012439627 570663530 /nfs/dbraw/zinc/66/35/30/570663530.db2.gz WKIPBUZTWPDLAO-OAHLLOKOSA-N 1 1 378.473 2.732 50 0 GFAAMO Cc1nnc(SCC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000012439627 570663531 /nfs/dbraw/zinc/66/35/31/570663531.db2.gz WKIPBUZTWPDLAO-OAHLLOKOSA-N 1 1 378.473 2.732 50 0 GFAAMO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000012583593 570684613 /nfs/dbraw/zinc/68/46/13/570684613.db2.gz RUFMQHPTSNUSOZ-IBGZPJMESA-N 1 1 395.503 2.913 50 0 GFAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)s1 ZINC000012590548 570687079 /nfs/dbraw/zinc/68/70/79/570687079.db2.gz DOCCGLSCQCTWIO-QGZVFWFLSA-N 1 1 389.565 2.786 50 0 GFAAMO Cc1ccc(N2C[C@@H](NC(=O)NCC[N@H+](C)Cc3ccccc3)CC2=O)cc1 ZINC000004373172 570719528 /nfs/dbraw/zinc/71/95/28/570719528.db2.gz GCNSUMLLYYQHPH-IBGZPJMESA-N 1 1 380.492 2.532 50 0 GFAAMO CCOc1cc(C[NH2+]CCCN(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736212 570784105 /nfs/dbraw/zinc/78/41/05/570784105.db2.gz PQGTTYAAPGBNDO-UHFFFAOYSA-N 1 1 396.495 2.895 50 0 GFAAMO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+](C)CCc1ccccn1)C2 ZINC000014543545 570849098 /nfs/dbraw/zinc/84/90/98/570849098.db2.gz RGLDEABHMSVYKK-IBGZPJMESA-N 1 1 395.551 2.956 50 0 GFAAMO CC[C@@H](C)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3C)n2CC1 ZINC000014878838 570863526 /nfs/dbraw/zinc/86/35/26/570863526.db2.gz IFKOVUNNMDCMDF-MRXNPFEDSA-N 1 1 383.540 2.772 50 0 GFAAMO NC(=O)CC[N@H+](Cc1ccccc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000032900868 570897291 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398.482 2.982 50 0 GFAAMO Cc1ccc(C[N@H+]2CCN(Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2CCO)o1 ZINC000036385750 570422505 /nfs/dbraw/zinc/42/25/05/570422505.db2.gz YRKXFTRGRQQKEJ-OAQYLSRUSA-N 1 1 398.482 2.982 50 0 GFAAMO C[NH+]1CCN(C2(CNC(=O)c3ccc(Br)o3)CCCCC2)CC1 ZINC000027742180 570441310 /nfs/dbraw/zinc/44/13/10/570441310.db2.gz KDJNPLVARIVLKO-UHFFFAOYSA-N 1 1 384.318 2.722 50 0 GFAAMO O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882244 570482071 /nfs/dbraw/zinc/48/20/71/570482071.db2.gz RKSSAKRGUOKWMG-UHFFFAOYSA-N 1 1 378.476 2.644 50 0 GFAAMO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)s1 ZINC000012431543 570659515 /nfs/dbraw/zinc/65/95/15/570659515.db2.gz UOTJKRCRNLULMI-MRXNPFEDSA-N 1 1 388.562 2.687 50 0 GFAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCCN(Cc2ccncc2)CC1 ZINC000230571625 570669026 /nfs/dbraw/zinc/66/90/26/570669026.db2.gz LOIROICQVUWFOM-QFIPXVFZSA-N 1 1 378.520 2.605 50 0 GFAAMO CSc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)cc1 ZINC000012588114 570685920 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394.475 2.630 50 0 GFAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000033077205 570805939 /nfs/dbraw/zinc/80/59/39/570805939.db2.gz QAIVASPSTJEWEE-SFHVURJKSA-N 1 1 399.516 2.717 50 0 GFAAMO Cc1ccc(OCC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000033135417 570821885 /nfs/dbraw/zinc/82/18/85/570821885.db2.gz AFGXIXDLQYYHKO-JOCHJYFZSA-N 1 1 381.520 2.869 50 0 GFAAMO Cc1ccc(OCC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000033135417 570821889 /nfs/dbraw/zinc/82/18/89/570821889.db2.gz AFGXIXDLQYYHKO-JOCHJYFZSA-N 1 1 381.520 2.869 50 0 GFAAMO Cc1ccc(OCC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000033135417 570821893 /nfs/dbraw/zinc/82/18/93/570821893.db2.gz AFGXIXDLQYYHKO-JOCHJYFZSA-N 1 1 381.520 2.869 50 0 GFAAMO O=C([C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccccc1)N1CCCC1 ZINC000014142225 570825269 /nfs/dbraw/zinc/82/52/69/570825269.db2.gz BKRGMOVXAIPINR-QHCPKHFHSA-N 1 1 393.531 2.972 50 0 GFAAMO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([N@H+](C)Cc1ccon1)C2 ZINC000014532061 570847503 /nfs/dbraw/zinc/84/75/03/570847503.db2.gz AUDRGERALYRABF-MRXNPFEDSA-N 1 1 397.479 2.746 50 0 GFAAMO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([N@@H+](C)Cc1ccon1)C2 ZINC000014532061 570847507 /nfs/dbraw/zinc/84/75/07/570847507.db2.gz AUDRGERALYRABF-MRXNPFEDSA-N 1 1 397.479 2.746 50 0 GFAAMO CCOCCC[N@H+]1CC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)[C@H](C)C1 ZINC000170592591 570851381 /nfs/dbraw/zinc/85/13/81/570851381.db2.gz BLOVERYUVJTGPE-BCYZHJNNSA-N 1 1 377.529 2.719 50 0 GFAAMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000170597487 570855684 /nfs/dbraw/zinc/85/56/84/570855684.db2.gz LZPJLKCYEQJYAO-OAHLLOKOSA-N 1 1 380.452 2.629 50 0 GFAAMO Cn1c2ccccc2n(CCC(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)c1=O ZINC000170599183 570857305 /nfs/dbraw/zinc/85/73/05/570857305.db2.gz YOWOOKUMXAPHOD-UHFFFAOYSA-N 1 1 384.524 2.525 50 0 GFAAMO CCCC[N@@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014748558 570858834 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CC[NH+]1CCN(C(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)CC1 ZINC000032610877 570691081 /nfs/dbraw/zinc/69/10/81/570691081.db2.gz MIUJAPIQPPTNDY-UHFFFAOYSA-N 1 1 376.888 2.968 50 0 GFAAMO O[C@@H](COc1ccccc1C[NH2+]CCc1ccccc1)CN1CCSCC1 ZINC000012716049 570704303 /nfs/dbraw/zinc/70/43/03/570704303.db2.gz CPKVGTVMGHZETQ-OAQYLSRUSA-N 1 1 386.561 2.807 50 0 GFAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CCc2ccc(F)cc2)CC1 ZINC000058061142 570708482 /nfs/dbraw/zinc/70/84/82/570708482.db2.gz LXYHYKYTAHAQKK-UHFFFAOYSA-N 1 1 393.503 2.817 50 0 GFAAMO O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000012750962 570709260 /nfs/dbraw/zinc/70/92/60/570709260.db2.gz NPRJAKKWZCGWKB-IBGZPJMESA-N 1 1 380.427 2.795 50 0 GFAAMO O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000012750962 570709264 /nfs/dbraw/zinc/70/92/64/570709264.db2.gz NPRJAKKWZCGWKB-IBGZPJMESA-N 1 1 380.427 2.795 50 0 GFAAMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036484867 570722359 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C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1 ZINC000004709741 570855386 /nfs/dbraw/zinc/85/53/86/570855386.db2.gz JBQAKQOAZGMNSA-KDURUIRLSA-N 1 1 396.535 2.785 50 0 GFAAMO CC(C)[C@@H]1CN(C(=O)CCc2nncn2C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072142210 570870050 /nfs/dbraw/zinc/87/00/50/570870050.db2.gz USUVDKJATKANHI-IBGZPJMESA-N 1 1 387.503 2.646 50 0 GFAAMO NC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000072156916 570874310 /nfs/dbraw/zinc/87/43/10/570874310.db2.gz MMTOQPLVSFDCPX-NRFANRHFSA-N 1 1 386.446 2.951 50 0 GFAAMO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000072172979 570877383 /nfs/dbraw/zinc/87/73/83/570877383.db2.gz RFWCRGKSSDPSNG-SFHVURJKSA-N 1 1 388.487 2.502 50 0 GFAAMO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000072172979 570877388 /nfs/dbraw/zinc/87/73/88/570877388.db2.gz RFWCRGKSSDPSNG-SFHVURJKSA-N 1 1 388.487 2.502 50 0 GFAAMO CCN1C[C@H](C[N@H+](C)C[C@@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 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C[C@H](CNC(=O)[C@H]1Oc2ccccc2O[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000043084034 132415454 /nfs/dbraw/zinc/41/54/54/132415454.db2.gz PZFCODLGOMLULL-FGSXEWAUSA-N 1 1 395.503 2.542 50 0 GFAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)nn1 ZINC000070998292 136165485 /nfs/dbraw/zinc/16/54/85/136165485.db2.gz WGLJEXUPOANMPC-UHFFFAOYSA-N 1 1 388.431 2.679 50 0 GFAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4cccs4)CC3)[nH+]c(C)n2)c1C ZINC000082230651 136174668 /nfs/dbraw/zinc/17/46/68/136174668.db2.gz ISPCGPGQUNCOSS-UHFFFAOYSA-N 1 1 382.493 2.611 50 0 GFAAMO Cc1cc2ncn(C[C@H](O)C[NH+]3CCN(c4ccncc4Cl)CC3)c2cc1C ZINC000162479171 136203015 /nfs/dbraw/zinc/20/30/15/136203015.db2.gz SKWGFJFFWUFMBE-QGZVFWFLSA-N 1 1 399.926 2.885 50 0 GFAAMO CCOc1ccc2[nH]c(=O)c(C[NH+]3CCN(c4cc(CC)ncn4)CC3)cc2c1 ZINC000216124135 136203071 /nfs/dbraw/zinc/20/30/71/136203071.db2.gz DHCWNBAOTXYDCB-UHFFFAOYSA-N 1 1 393.491 2.601 50 0 GFAAMO COc1ccc(NC(=O)N2CCCC[C@H]2CCN2CC[NH+](C)CC2)c(F)c1 ZINC000426433936 534102521 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/nfs/dbraw/zinc/22/93/90/570229390.db2.gz WKKAMOFCHXWTID-UHFFFAOYSA-N 1 1 389.503 2.944 50 0 GFAAMO COc1ccc2c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc2c1 ZINC000085879008 570263650 /nfs/dbraw/zinc/26/36/50/570263650.db2.gz HQXUKSDVAQHLDV-ZBFHGGJFSA-N 1 1 378.428 2.583 50 0 GFAAMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000047894507 570269089 /nfs/dbraw/zinc/26/90/89/570269089.db2.gz CQBWAHVZDQSUPJ-RXVVDRJESA-N 1 1 385.552 2.895 50 0 GFAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000072308078 570302655 /nfs/dbraw/zinc/30/26/55/570302655.db2.gz GBYZZBLVDPNDRR-LJQANCHMSA-N 1 1 382.464 2.512 50 0 GFAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000012327196 570315444 /nfs/dbraw/zinc/31/54/44/570315444.db2.gz CVCNASVXPRSYPF-HXUWFJFHSA-N 1 1 377.488 2.922 50 0 GFAAMO CC[C@@H]1Cn2c(C(=O)NCCC[NH+]3CCOCC3)cc3c2c(ccc3Cl)O1 ZINC000035477458 570366006 /nfs/dbraw/zinc/36/60/06/570366006.db2.gz GFRXOZNFIOTDIV-CQSZACIVSA-N 1 1 391.899 2.918 50 0 GFAAMO CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000035485494 570374813 /nfs/dbraw/zinc/37/48/13/570374813.db2.gz FODRVPVKISINIZ-PMACEKPBSA-N 1 1 397.544 2.886 50 0 GFAAMO COc1ccc(C(=O)NCCNc2cc(Nc3ccccn3)nc(C)[nH+]2)cc1 ZINC000090607910 570383329 /nfs/dbraw/zinc/38/33/29/570383329.db2.gz LKJOBVWIVAMXQP-UHFFFAOYSA-N 1 1 378.436 2.774 50 0 GFAAMO CCC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)NC(=O)N1CC ZINC000035991357 570505160 /nfs/dbraw/zinc/50/51/60/570505160.db2.gz PWUGESSWIDLILX-LJQANCHMSA-N 1 1 389.496 2.940 50 0 GFAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095665 570534996 /nfs/dbraw/zinc/53/49/96/570534996.db2.gz ZRNHWKFEZJMVCN-SFHVURJKSA-N 1 1 375.465 2.592 50 0 GFAAMO CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908307 570566888 /nfs/dbraw/zinc/56/68/88/570566888.db2.gz KEITYDJLOLCNTO-QGZVFWFLSA-N 1 1 385.533 2.878 50 0 GFAAMO CC(C)(C)NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908307 570566894 /nfs/dbraw/zinc/56/68/94/570566894.db2.gz KEITYDJLOLCNTO-QGZVFWFLSA-N 1 1 385.533 2.878 50 0 GFAAMO CC(=O)N[C@@H](CC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000225462129 570576627 /nfs/dbraw/zinc/57/66/27/570576627.db2.gz DZCRISVAEFNDDJ-BEFAXECRSA-N 1 1 395.931 2.524 50 0 GFAAMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC000011842129 570587238 /nfs/dbraw/zinc/58/72/38/570587238.db2.gz YONIVCJAGNELHR-IBGZPJMESA-N 1 1 389.588 2.580 50 0 GFAAMO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC000011842129 570587239 /nfs/dbraw/zinc/58/72/39/570587239.db2.gz YONIVCJAGNELHR-IBGZPJMESA-N 1 1 389.588 2.580 50 0 GFAAMO CCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036250989 570587358 /nfs/dbraw/zinc/58/73/58/570587358.db2.gz GTERDEZCBXBGMX-LJQANCHMSA-N 1 1 375.488 2.621 50 0 GFAAMO O=C(CCn1c(=O)[nH]c2ccccc21)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011878354 570590431 /nfs/dbraw/zinc/59/04/31/570590431.db2.gz 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CCn1cc(CN2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cn1 ZINC000020205533 207183255 /nfs/dbraw/zinc/18/32/55/207183255.db2.gz YYVVDMDDKVQGSB-YADHBBJMSA-N 1 1 380.536 2.948 50 0 GFAAMO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214244 207184662 /nfs/dbraw/zinc/18/46/62/207184662.db2.gz WXPGGVIAUXPESM-BIENJYKASA-N 1 1 389.471 2.975 50 0 GFAAMO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214244 207184666 /nfs/dbraw/zinc/18/46/66/207184666.db2.gz WXPGGVIAUXPESM-BIENJYKASA-N 1 1 389.471 2.975 50 0 GFAAMO CCOC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214244 207184670 /nfs/dbraw/zinc/18/46/70/207184670.db2.gz WXPGGVIAUXPESM-BIENJYKASA-N 1 1 389.471 2.975 50 0 GFAAMO COc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)c(OC)c1OC ZINC000020272192 207185292 /nfs/dbraw/zinc/18/52/92/207185292.db2.gz XQQPEIMONLOOHQ-UHFFFAOYSA-N 1 1 386.492 2.909 50 0 GFAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 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GFAAMO CC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000024983474 207298796 /nfs/dbraw/zinc/29/87/96/207298796.db2.gz NIOYSLHTYHUXMF-INIZCTEOSA-N 1 1 386.452 2.756 50 0 GFAAMO COc1ccc(C[NH+]2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000024292963 207290265 /nfs/dbraw/zinc/29/02/65/207290265.db2.gz DWSKBVSGODRPMQ-UHFFFAOYSA-N 1 1 398.894 2.903 50 0 GFAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000025067302 207300269 /nfs/dbraw/zinc/30/02/69/207300269.db2.gz XTXGWWIOIHSWAR-WBMJQRKESA-N 1 1 388.295 2.852 50 0 GFAAMO CC(C)C(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000038628703 207311787 /nfs/dbraw/zinc/31/17/87/207311787.db2.gz DHQICLNTQYGTEC-LJQANCHMSA-N 1 1 389.521 2.862 50 0 GFAAMO NC(=O)C1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000028927659 207351051 /nfs/dbraw/zinc/35/10/51/207351051.db2.gz UPTNWYBGVNDGOI-UHFFFAOYSA-N 1 1 395.507 2.666 50 0 GFAAMO O=C(CNC(=O)c1ccc2ccccc2c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000031338726 207382282 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COC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1C ZINC000021468881 210382587 /nfs/dbraw/zinc/38/25/87/210382587.db2.gz OTJINJYGIDGWLL-UHFFFAOYSA-N 1 1 399.491 2.775 50 0 GFAAMO CCn1cc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)cn1 ZINC000020912369 210369696 /nfs/dbraw/zinc/36/96/96/210369696.db2.gz HQOKAUCQZBOJAF-NRFANRHFSA-N 1 1 386.540 2.597 50 0 GFAAMO CN(C)C(=O)CSc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020893077 210366486 /nfs/dbraw/zinc/36/64/86/210366486.db2.gz WYYIMPNALOBKRK-UHFFFAOYSA-N 1 1 397.544 2.825 50 0 GFAAMO COc1ccc(-c2noc(C[N@H+](C)C[C@H](O)c3ccccc3)n2)c(OC)c1OC ZINC000020784781 210361531 /nfs/dbraw/zinc/36/15/31/210361531.db2.gz XDUFXOQXCGPXCJ-INIZCTEOSA-N 1 1 399.447 2.928 50 0 GFAAMO COc1ccc(-c2noc(C[N@@H+](C)C[C@H](O)c3ccccc3)n2)c(OC)c1OC ZINC000020784781 210361535 /nfs/dbraw/zinc/36/15/35/210361535.db2.gz XDUFXOQXCGPXCJ-INIZCTEOSA-N 1 1 399.447 2.928 50 0 GFAAMO O[C@H]1[C@H]([N@H+]2CCCOCC2)c2ccccc2C12CCN(c1ccccn1)CC2 ZINC000020782777 210361259 /nfs/dbraw/zinc/36/12/59/210361259.db2.gz FDYBKGAGMIPZNY-YADHBBJMSA-N 1 1 379.504 2.758 50 0 GFAAMO CCC[NH+]1CCC(N2CCN(Cc3ccc(OCC)cc3)[C@@H](CCO)C2)CC1 ZINC000020541765 210344779 /nfs/dbraw/zinc/34/47/79/210344779.db2.gz ZJCZSTWPVBTVKY-QFIPXVFZSA-N 1 1 389.584 2.828 50 0 GFAAMO CSCCC[N@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020323297 210330055 /nfs/dbraw/zinc/33/00/55/210330055.db2.gz NFGRMVWNQIAAHY-IBGZPJMESA-N 1 1 391.581 2.750 50 0 GFAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(Cc3ccoc3)CC2)C1 ZINC000011820675 221129408 /nfs/dbraw/zinc/12/94/08/221129408.db2.gz IJXNXNFNNGRLQF-IBGZPJMESA-N 1 1 382.508 2.667 50 0 GFAAMO O=C(Nc1ccc(F)cc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230338 136174396 /nfs/dbraw/zinc/17/43/96/136174396.db2.gz XAXIUNUFDODBBQ-UHFFFAOYSA-N 1 1 384.459 2.960 50 0 GFAAMO Cc1noc2ncnc(N3CCC[C@H](c4[nH+]ccn4Cc4cccnc4)C3)c12 ZINC000091908427 136177426 /nfs/dbraw/zinc/17/74/26/136177426.db2.gz WHCQBEHFQXRLIJ-INIZCTEOSA-N 1 1 375.436 2.950 50 0 GFAAMO Cc1noc(C)c1C[N@H+](C)CCC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000095456905 136179263 /nfs/dbraw/zinc/17/92/63/136179263.db2.gz FIIAISLVVHZYNX-FQEVSTJZSA-N 1 1 398.507 2.767 50 0 GFAAMO CCc1cc(N2CCC([NH2+]Cc3cnc4ccccn34)CC2)nc(N(C)C)n1 ZINC000095501841 136179846 /nfs/dbraw/zinc/17/98/46/136179846.db2.gz VHQSEQLEBHSVFU-UHFFFAOYSA-N 1 1 379.512 2.511 50 0 GFAAMO Cc1ccc[nH+]c1N1CCN(C(=O)Nc2cc(-c3ccccn3)nn2C)CC1 ZINC000096150534 136184529 /nfs/dbraw/zinc/18/45/29/136184529.db2.gz WDGAHHPDGZZPIN-UHFFFAOYSA-N 1 1 377.452 2.540 50 0 GFAAMO Cc1ccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000067602000 222149681 /nfs/dbraw/zinc/14/96/81/222149681.db2.gz XGUCUGRPLDUOEA-UHFFFAOYSA-N 1 1 376.464 2.550 50 0 GFAAMO O=C(C[N@H+]1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O)NCc1ccco1 ZINC000426387157 534549057 /nfs/dbraw/zinc/54/90/57/534549057.db2.gz WCOJJXKIWFRBLP-JOCHJYFZSA-N 1 1 387.524 2.791 50 0 GFAAMO C[N@@H+]1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](c2ccccc2)C1 ZINC000040007787 523874293 /nfs/dbraw/zinc/87/42/93/523874293.db2.gz UCHKAKSHPGAAPF-ZNKOEICNSA-N 1 1 395.547 2.834 50 0 GFAAMO C[N@H+]1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](c2ccccc2)C1 ZINC000040007787 523874295 /nfs/dbraw/zinc/87/42/95/523874295.db2.gz UCHKAKSHPGAAPF-ZNKOEICNSA-N 1 1 395.547 2.834 50 0 GFAAMO CCCCn1cc[nH+]c1C1CCN(c2cc(N3CCC(O)CC3)ncn2)CC1 ZINC000095501461 535153837 /nfs/dbraw/zinc/15/38/37/535153837.db2.gz NOJNTZVFZCTZCH-UHFFFAOYSA-N 1 1 384.528 2.818 50 0 GFAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCc3ncccc3C2)nc1 ZINC000067786270 536354433 /nfs/dbraw/zinc/35/44/33/536354433.db2.gz AMQOXMXBBXMSGL-LJQANCHMSA-N 1 1 379.508 2.644 50 0 GFAAMO C[N@H+]1CCN(c2ncc(Cl)cc2C(F)(F)F)C[C@@]12CCNC(=O)CC2 ZINC000107416790 536427260 /nfs/dbraw/zinc/42/72/60/536427260.db2.gz ZBIWFRFVZJIKCG-OAHLLOKOSA-N 1 1 376.810 2.545 50 0 GFAAMO Cc1ccc(Br)c(CC(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000170600222 551635885 /nfs/dbraw/zinc/63/58/85/551635885.db2.gz LTOLIYKRYQJMDO-UHFFFAOYSA-N 1 1 394.338 2.931 50 0 GFAAMO Cc1ccc(Br)c(CC(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000170600222 551635887 /nfs/dbraw/zinc/63/58/87/551635887.db2.gz LTOLIYKRYQJMDO-UHFFFAOYSA-N 1 1 394.338 2.931 50 0 GFAAMO O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000252488153 553149713 /nfs/dbraw/zinc/14/97/13/553149713.db2.gz ILVGFILWSLNOHJ-WMLDXEAASA-N 1 1 385.302 2.538 50 0 GFAAMO O[C@H](COC1CCOCC1)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000252488153 553149715 /nfs/dbraw/zinc/14/97/15/553149715.db2.gz ILVGFILWSLNOHJ-WMLDXEAASA-N 1 1 385.302 2.538 50 0 GFAAMO OCC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751687 566087206 /nfs/dbraw/zinc/08/72/06/566087206.db2.gz QEIQGZXHIWFRRT-QAPCUYQASA-N 1 1 383.330 2.716 50 0 GFAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4[nH]3)cn2)CC1 ZINC000048236551 570222101 /nfs/dbraw/zinc/22/21/01/570222101.db2.gz KRWADYRUKDJCFN-UHFFFAOYSA-N 1 1 381.455 2.774 50 0 GFAAMO COc1ccc(/C=C/CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000105277301 570260786 /nfs/dbraw/zinc/26/07/86/570260786.db2.gz ARQZKKFTOZQFAM-UKKYDJSUSA-N 1 1 381.520 2.981 50 0 GFAAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000105277301 570260790 /nfs/dbraw/zinc/26/07/90/570260790.db2.gz ARQZKKFTOZQFAM-UKKYDJSUSA-N 1 1 381.520 2.981 50 0 GFAAMO COc1ccc(/C=C/C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000105277301 570260793 /nfs/dbraw/zinc/26/07/93/570260793.db2.gz ARQZKKFTOZQFAM-UKKYDJSUSA-N 1 1 381.520 2.981 50 0 GFAAMO COc1ccc(/C=C/C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000105277301 570260796 /nfs/dbraw/zinc/26/07/96/570260796.db2.gz ARQZKKFTOZQFAM-UKKYDJSUSA-N 1 1 381.520 2.981 50 0 GFAAMO Cc1cccc(C[N@@H+]2CCN(c3noc(-c4ccccc4)n3)C[C@H]2CCO)n1 ZINC000106942997 570261027 /nfs/dbraw/zinc/26/10/27/570261027.db2.gz SANYIYZWIWFENK-LJQANCHMSA-N 1 1 379.464 2.513 50 0 GFAAMO Cc1cccc(C[N@H+]2CCN(c3noc(-c4ccccc4)n3)C[C@H]2CCO)n1 ZINC000106942997 570261031 /nfs/dbraw/zinc/26/10/31/570261031.db2.gz SANYIYZWIWFENK-LJQANCHMSA-N 1 1 379.464 2.513 50 0 GFAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C[C@H](C)CC2 ZINC000022037156 570302567 /nfs/dbraw/zinc/30/25/67/570302567.db2.gz WMFHFNDQFCIIRZ-ZIAGYGMSSA-N 1 1 393.553 2.624 50 0 GFAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1Cl ZINC000022619857 570323929 /nfs/dbraw/zinc/32/39/29/570323929.db2.gz CFHJWRPFULOSES-SFHVURJKSA-N 1 1 394.924 2.917 50 0 GFAAMO OCCOc1ccc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)cc1 ZINC000022852994 570331604 /nfs/dbraw/zinc/33/16/04/570331604.db2.gz WAYQOFFVIPWJNQ-OAQYLSRUSA-N 1 1 376.541 2.507 50 0 GFAAMO CCn1nc(C)c(CN2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000022932658 570337559 /nfs/dbraw/zinc/33/75/59/570337559.db2.gz GPQUUNSIFSVCAZ-FQEVSTJZSA-N 1 1 386.540 2.597 50 0 GFAAMO CCn1nc(C)c(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000022932658 570337560 /nfs/dbraw/zinc/33/75/60/570337560.db2.gz GPQUUNSIFSVCAZ-FQEVSTJZSA-N 1 1 386.540 2.597 50 0 GFAAMO CCn1nc(C)c(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000022932658 570337561 /nfs/dbraw/zinc/33/75/61/570337561.db2.gz GPQUUNSIFSVCAZ-FQEVSTJZSA-N 1 1 386.540 2.597 50 0 GFAAMO CCn1nc(C)c(C[N@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000022932658 570337562 /nfs/dbraw/zinc/33/75/62/570337562.db2.gz GPQUUNSIFSVCAZ-FQEVSTJZSA-N 1 1 386.540 2.597 50 0 GFAAMO CCOc1ccc(CN2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)cc1CO ZINC000023130400 570345800 /nfs/dbraw/zinc/34/58/00/570345800.db2.gz PCAPUKHDLROHKM-FQEVSTJZSA-N 1 1 388.508 2.548 50 0 GFAAMO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)cc1CO ZINC000023130400 570345802 /nfs/dbraw/zinc/34/58/02/570345802.db2.gz PCAPUKHDLROHKM-FQEVSTJZSA-N 1 1 388.508 2.548 50 0 GFAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000033431649 570349080 /nfs/dbraw/zinc/34/90/80/570349080.db2.gz VLHGUGLVRLTOKI-IEBWSBKVSA-N 1 1 380.444 2.747 50 0 GFAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000033431649 570349082 /nfs/dbraw/zinc/34/90/82/570349082.db2.gz VLHGUGLVRLTOKI-IEBWSBKVSA-N 1 1 380.444 2.747 50 0 GFAAMO CC[NH+]1CCN(C2(C(=O)N[C@@H]3CCc4ccccc43)Cc3ccccc3C2)CC1 ZINC000023359128 570356374 /nfs/dbraw/zinc/35/63/74/570356374.db2.gz TTXDVGPKARZYGP-HSZRJFAPSA-N 1 1 389.543 2.965 50 0 GFAAMO CCCCCCn1c(C[N@@H+]2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930533 570372752 /nfs/dbraw/zinc/37/27/52/570372752.db2.gz RDOFFCDFDMKXHS-INIZCTEOSA-N 1 1 389.544 2.779 50 0 GFAAMO CCCCCCn1c(C[N@H+]2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930533 570372755 /nfs/dbraw/zinc/37/27/55/570372755.db2.gz RDOFFCDFDMKXHS-INIZCTEOSA-N 1 1 389.544 2.779 50 0 GFAAMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022788422 570377108 /nfs/dbraw/zinc/37/71/08/570377108.db2.gz OJMOSZFVTMGEMY-YOEHRIQHSA-N 1 1 385.430 2.829 50 0 GFAAMO CC(=O)Nc1ccc(C(=S)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000025777893 570419534 /nfs/dbraw/zinc/41/95/34/570419534.db2.gz COXAADZYVMRWOC-UHFFFAOYSA-N 1 1 375.538 2.945 50 0 GFAAMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000054223017 570456604 /nfs/dbraw/zinc/45/66/04/570456604.db2.gz FKQGLFGRPLCIQQ-WMZOPIPTSA-N 1 1 378.538 2.686 50 0 GFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000054223017 570456608 /nfs/dbraw/zinc/45/66/08/570456608.db2.gz FKQGLFGRPLCIQQ-WMZOPIPTSA-N 1 1 378.538 2.686 50 0 GFAAMO CC[NH+]1CCN(C2(CNC(=O)COc3ccc(F)cc3)CCCCC2)CC1 ZINC000028404251 570459248 /nfs/dbraw/zinc/45/92/48/570459248.db2.gz XNJIRBLAQPNSOQ-UHFFFAOYSA-N 1 1 377.504 2.661 50 0 GFAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cn4ccccc4n3)cc2)C[C@H](C)O1 ZINC000028875414 570466033 /nfs/dbraw/zinc/46/60/33/570466033.db2.gz QAHOKDIDAUHBSY-IRXDYDNUSA-N 1 1 378.476 2.874 50 0 GFAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000036095667 570534756 /nfs/dbraw/zinc/53/47/56/570534756.db2.gz ZRNHWKFEZJMVCN-GOSISDBHSA-N 1 1 375.465 2.592 50 0 GFAAMO Cc1cc(C(F)(F)F)ccc1OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000225543034 570586658 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376.254 2.817 50 0 GFAAMO OCC[C@H]1CN(Cc2cccc3nonc32)CC[N@H+]1CCCc1ccccc1 ZINC000020598455 210350642 /nfs/dbraw/zinc/35/06/42/210350642.db2.gz BHNQPJPMOXMXMT-FQEVSTJZSA-N 1 1 380.492 2.724 50 0 GFAAMO Cc1ncc2c(c1-c1noc(-c3ccoc3)n1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC000019852985 210303092 /nfs/dbraw/zinc/30/30/92/210303092.db2.gz ORSLMNXPOALKEX-KRWDZBQOSA-N 1 1 393.447 2.679 50 0 GFAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1)NC1CCC1 ZINC000011934661 221139723 /nfs/dbraw/zinc/13/97/23/221139723.db2.gz UBORSXXJHYPCJJ-QFIPXVFZSA-N 1 1 391.515 2.678 50 0 GFAAMO Cc1ccc(Nc2cc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)ncn2)cc1 ZINC000065237268 136160937 /nfs/dbraw/zinc/16/09/37/136160937.db2.gz PHQDAOIDPDDCPS-UHFFFAOYSA-N 1 1 394.523 2.519 50 0 GFAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3cc(N(C)C)ncn3)C2)cc1OC ZINC000072474461 136171414 /nfs/dbraw/zinc/17/14/14/136171414.db2.gz MDSXIYURTVLUIT-SFHVURJKSA-N 1 1 399.539 2.703 50 0 GFAAMO CC(=O)N[C@@H]1CC[N@H+](C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)C1 ZINC000096135922 136184193 /nfs/dbraw/zinc/18/41/93/136184193.db2.gz HGRBGNUDHNWVBE-LJQANCHMSA-N 1 1 379.508 2.631 50 0 GFAAMO C[N@@H+]1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C1 ZINC000040007785 523874518 /nfs/dbraw/zinc/87/45/18/523874518.db2.gz UCHKAKSHPGAAPF-IOFSEFHDSA-N 1 1 395.547 2.834 50 0 GFAAMO C[N@H+]1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C1 ZINC000040007785 523874522 /nfs/dbraw/zinc/87/45/22/523874522.db2.gz UCHKAKSHPGAAPF-IOFSEFHDSA-N 1 1 395.547 2.834 50 0 GFAAMO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)C1 ZINC000426740548 527814868 /nfs/dbraw/zinc/81/48/68/527814868.db2.gz NSSUEHDRMYOLNH-GOSISDBHSA-N 1 1 386.517 2.732 50 0 GFAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426549872 528262471 /nfs/dbraw/zinc/26/24/71/528262471.db2.gz DFOCEPRGMSHZON-UHFFFAOYSA-N 1 1 383.496 2.676 50 0 GFAAMO CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc[nH+]c(C)c1)C2 ZINC000096149216 535601656 /nfs/dbraw/zinc/60/16/56/535601656.db2.gz 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C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)[C@H](C)C1 ZINC000225427427 553058874 /nfs/dbraw/zinc/05/88/74/553058874.db2.gz GBTOFXCRADURRN-RDBSUJKOSA-N 1 1 379.551 2.690 50 0 GFAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000047938121 570217332 /nfs/dbraw/zinc/21/73/32/570217332.db2.gz VRVCFKWRYJPNBW-GFOMBABLSA-N 1 1 394.519 2.896 50 0 GFAAMO O=C(c1ccc(Cn2cncn2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048248797 570223213 /nfs/dbraw/zinc/22/32/13/570223213.db2.gz IZPHQYUFKMTZMW-UHFFFAOYSA-N 1 1 375.476 2.675 50 0 GFAAMO Cc1csc2nc(C[NH+]3CCC(C(=O)Nc4cccc(C)n4)CC3)cc(=O)n12 ZINC000048289298 570228556 /nfs/dbraw/zinc/22/85/56/570228556.db2.gz SBNSPISROJQCHO-UHFFFAOYSA-N 1 1 397.504 2.619 50 0 GFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000247806544 570247107 /nfs/dbraw/zinc/24/71/07/570247107.db2.gz ZUTGZBUZGCQQJA-UXHICEINSA-N 1 1 399.535 2.572 50 0 GFAAMO C[C@@H]1C[C@@H]1C(=O)NCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000048374835 570249979 /nfs/dbraw/zinc/24/99/79/570249979.db2.gz KXJVRDJSDNQXNL-MNEFBYGVSA-N 1 1 397.544 2.736 50 0 GFAAMO C[C@@H]1C[C@@H]1C(=O)NCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000048374835 570249981 /nfs/dbraw/zinc/24/99/81/570249981.db2.gz KXJVRDJSDNQXNL-MNEFBYGVSA-N 1 1 397.544 2.736 50 0 GFAAMO COc1cc(CN2CC[N@@H+](CC=C(C)C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104466641 570259274 /nfs/dbraw/zinc/25/92/74/570259274.db2.gz RVXBOXUSJNJHQC-GOSISDBHSA-N 1 1 378.513 2.547 50 0 GFAAMO Cc1cccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)n1 ZINC000104469949 570259445 /nfs/dbraw/zinc/25/94/45/570259445.db2.gz NXCBDXYTEBXFTQ-OAQYLSRUSA-N 1 1 391.519 2.645 50 0 GFAAMO Cc1cccc(C[N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)n1 ZINC000104469949 570259447 /nfs/dbraw/zinc/25/94/47/570259447.db2.gz NXCBDXYTEBXFTQ-OAQYLSRUSA-N 1 1 391.519 2.645 50 0 GFAAMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085879450 570263699 /nfs/dbraw/zinc/26/36/99/570263699.db2.gz FFEYSIPRSWWECA-QFBILLFUSA-N 1 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570300725 /nfs/dbraw/zinc/30/07/25/570300725.db2.gz MFCUFPOCUALDDF-IBGZPJMESA-N 1 1 379.439 2.687 50 0 GFAAMO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1)C[C@@H](C)CC2 ZINC000022037153 570302744 /nfs/dbraw/zinc/30/27/44/570302744.db2.gz WMFHFNDQFCIIRZ-UONOGXRCSA-N 1 1 393.553 2.624 50 0 GFAAMO Cc1cccc2c(=O)n(CC(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cnc12 ZINC000016228075 570321350 /nfs/dbraw/zinc/32/13/50/570321350.db2.gz FWGWLDGCACDVRI-GOSISDBHSA-N 1 1 398.894 2.777 50 0 GFAAMO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(C)CC2)n3C)c1 ZINC000022939880 570339140 /nfs/dbraw/zinc/33/91/40/570339140.db2.gz FGAAJXLZAJEEKW-UHFFFAOYSA-N 1 1 391.519 2.924 50 0 GFAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CO3)CC1 ZINC000035377629 570347479 /nfs/dbraw/zinc/34/74/79/570347479.db2.gz TXMGGDFKVFZAHD-UHFFFAOYSA-N 1 1 397.450 2.529 50 0 GFAAMO Cc1c(C[NH+]2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023281492 570353771 /nfs/dbraw/zinc/35/37/71/570353771.db2.gz JQSWGVGYBWKJOH-UHFFFAOYSA-N 1 1 376.504 2.802 50 0 GFAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000023330634 570354943 /nfs/dbraw/zinc/35/49/43/570354943.db2.gz GUBDPSVQCTUGNY-UHFFFAOYSA-N 1 1 380.897 2.651 50 0 GFAAMO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCN(C2CCCC2)CC1 ZINC000023359017 570356323 /nfs/dbraw/zinc/35/63/23/570356323.db2.gz VFKLWSJDAPCXTE-XMMPIXPASA-N 1 1 399.579 2.533 50 0 GFAAMO O=C(NCCN1CCCOC1=O)c1ccc([C@H]2CCC[N@H+]2CC2CC2)s1 ZINC000023580947 570365860 /nfs/dbraw/zinc/36/58/60/570365860.db2.gz OIQLDYFTZZTKHY-OAHLLOKOSA-N 1 1 377.510 2.867 50 0 GFAAMO COc1ccc(NC(=O)[C@@H]([NH2+]CCNC(C)=O)c2ccccc2)cc1Cl ZINC000023866156 570374226 /nfs/dbraw/zinc/37/42/26/570374226.db2.gz MZIIGBLOHQIBJE-SFHVURJKSA-N 1 1 375.856 2.754 50 0 GFAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000026912137 570429807 /nfs/dbraw/zinc/42/98/07/570429807.db2.gz VHSSZNZSUPSTEJ-UHFFFAOYSA-N 1 1 387.480 2.616 50 0 GFAAMO Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)c3cccc(F)c3)CC2)c1 ZINC000026975051 570430600 /nfs/dbraw/zinc/43/06/00/570430600.db2.gz GAMARVTVGGLQCR-UHFFFAOYSA-N 1 1 391.512 2.625 50 0 GFAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000248087497 570438926 /nfs/dbraw/zinc/43/89/26/570438926.db2.gz BOOCVYNAIUOAHD-NUJGCVRESA-N 1 1 394.537 2.604 50 0 GFAAMO C[NH+]1CCN(c2nnc3n2-c2ccc(Cl)cc2[C@H](c2ccccc2)NC3)CC1 ZINC000005529562 570444454 /nfs/dbraw/zinc/44/44/54/570444454.db2.gz MELAHTGRERHHBZ-FQEVSTJZSA-N 1 1 394.910 2.865 50 0 GFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000011999398 570453385 /nfs/dbraw/zinc/45/33/85/570453385.db2.gz JXKYGUMQKWHIBL-HNNXBMFYSA-N 1 1 382.869 2.650 50 0 GFAAMO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043544874 570468853 /nfs/dbraw/zinc/46/88/53/570468853.db2.gz WLADJIWNAZGTCW-SFTDATJTSA-N 1 1 379.504 2.832 50 0 GFAAMO Cc1cc(C)cc(C(=O)NCC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000029840040 570481232 /nfs/dbraw/zinc/48/12/32/570481232.db2.gz XEZMSEHYTUZQAT-UHFFFAOYSA-N 1 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CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000019530623 221422328 /nfs/dbraw/zinc/42/23/28/221422328.db2.gz DWEWFSCXMVTBNF-UHFFFAOYSA-N 1 1 398.301 2.860 50 0 GFAAMO O=C(COc1cccc(N2CCCC2=O)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005460 221522538 /nfs/dbraw/zinc/52/25/38/221522538.db2.gz TUPGTYZSMFPYOU-UHFFFAOYSA-N 1 1 393.487 2.537 50 0 GFAAMO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000072158240 136167178 /nfs/dbraw/zinc/16/71/78/136167178.db2.gz KDMFSJYSHZCKIG-UHFFFAOYSA-N 1 1 377.496 2.738 50 0 GFAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)[nH+]c(C)n2)c1C ZINC000072446843 136170934 /nfs/dbraw/zinc/17/09/34/136170934.db2.gz MBUJOURKURIRKN-UHFFFAOYSA-N 1 1 394.454 2.689 50 0 GFAAMO Cc1cc(N2CCC([N@@H+]3CCOC4(CCCC4)C3)CC2)nc(N2CCCC2)n1 ZINC000095506996 136180288 /nfs/dbraw/zinc/18/02/88/136180288.db2.gz MYGIHIQRMHDEOK-UHFFFAOYSA-N 1 1 385.556 2.999 50 0 GFAAMO Cc1cc(N2CCC([N@H+]3CCOC4(CCCC4)C3)CC2)nc(N2CCCC2)n1 ZINC000095506996 136180289 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C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847918 222008024 /nfs/dbraw/zinc/00/80/24/222008024.db2.gz DCPUTEKWDHVLRZ-SECBINFHSA-N 1 1 376.320 2.955 50 0 GFAAMO CCC(=O)Nc1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000055211518 222017719 /nfs/dbraw/zinc/01/77/19/222017719.db2.gz YJSOOLIMNGHFCQ-IBGZPJMESA-N 1 1 381.476 2.805 50 0 GFAAMO CCOC(=O)C1(CCOC)CCN(C(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000055255597 222018805 /nfs/dbraw/zinc/01/88/05/222018805.db2.gz JSTNZUQBKVOMBO-IBGZPJMESA-N 1 1 390.524 2.806 50 0 GFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063003 222098290 /nfs/dbraw/zinc/09/82/90/222098290.db2.gz YHFLKAAVZBOKJY-UHFFFAOYSA-N 1 1 398.488 2.917 50 0 GFAAMO COc1ccccc1C(=O)N1CC[NH+](CCc2cn(C)c3ncccc23)CC1 ZINC000065164586 222104653 /nfs/dbraw/zinc/10/46/53/222104653.db2.gz REIWJVZIHPYBJF-UHFFFAOYSA-N 1 1 378.476 2.582 50 0 GFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCc2nc(-c3cccnc3)no2)c1 ZINC000058178495 222043715 /nfs/dbraw/zinc/04/37/15/222043715.db2.gz KSLFOZYIOHEGCX-UHFFFAOYSA-N 1 1 379.464 2.832 50 0 GFAAMO CCOC(=O)C1C(C[N@@H+](CC)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000058200994 222045140 /nfs/dbraw/zinc/04/51/40/222045140.db2.gz VVJVDTKVFSXIDP-SFHVURJKSA-N 1 1 375.469 2.597 50 0 GFAAMO CCOC(=O)C1=C(C[N@H+](CC)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000058200994 222045145 /nfs/dbraw/zinc/04/51/45/222045145.db2.gz VVJVDTKVFSXIDP-SFHVURJKSA-N 1 1 375.469 2.597 50 0 GFAAMO CCOC(=O)C1=C(C[N@@H+](CC)C(C)C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000058200994 222045147 /nfs/dbraw/zinc/04/51/47/222045147.db2.gz VVJVDTKVFSXIDP-SFHVURJKSA-N 1 1 375.469 2.597 50 0 GFAAMO CC[N@@H+](Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C ZINC000060350581 222060272 /nfs/dbraw/zinc/06/02/72/222060272.db2.gz CLYFVBGIBNCGAN-LJQANCHMSA-N 1 1 378.538 2.709 50 0 GFAAMO CC[N@@H+]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1 ZINC000062581603 222066191 /nfs/dbraw/zinc/06/61/91/222066191.db2.gz IDQBMPQHNDOFID-UHFFFAOYSA-N 1 1 379.526 2.962 50 0 GFAAMO CC[N@H+]1CCCN(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1 ZINC000062581603 222066193 /nfs/dbraw/zinc/06/61/93/222066193.db2.gz IDQBMPQHNDOFID-UHFFFAOYSA-N 1 1 379.526 2.962 50 0 GFAAMO CCOC(=O)c1ccc(NC(=O)Cn2c(C)[nH+]c3cc4c(cc32)OCCO4)cc1 ZINC000064795013 222082052 /nfs/dbraw/zinc/08/20/52/222082052.db2.gz DCTUCVNFRTWEBT-UHFFFAOYSA-N 1 1 395.415 2.931 50 0 GFAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2C1 ZINC000067291823 222143254 /nfs/dbraw/zinc/14/32/54/222143254.db2.gz VJRVNSAEVKZWMQ-UHFFFAOYSA-N 1 1 394.447 2.959 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ncn1 ZINC000067601931 222149198 /nfs/dbraw/zinc/14/91/98/222149198.db2.gz YDLSTXYKOLTBDU-UHFFFAOYSA-N 1 1 382.855 2.587 50 0 GFAAMO c1ccc(C[N@@H+]2CC[C@H](NCc3noc(-c4ccc5c(c4)OCO5)n3)C2)cc1 ZINC000067688713 222155136 /nfs/dbraw/zinc/15/51/36/222155136.db2.gz SNTXIFBWGBKRHN-KRWDZBQOSA-N 1 1 378.432 2.829 50 0 GFAAMO Cc1ccc2[nH]c(C[NH2+]C[C@@]3(O)CCCN(CC4CCCCC4)C3=O)nc2c1 ZINC000067743078 222157352 /nfs/dbraw/zinc/15/73/52/222157352.db2.gz WGDCGJPRXXDHDM-QFIPXVFZSA-N 1 1 384.524 2.895 50 0 GFAAMO Cc1ccc2nc(C[NH2+]C[C@@]3(O)CCCN(CC4CCCCC4)C3=O)[nH]c2c1 ZINC000067743078 222157355 /nfs/dbraw/zinc/15/73/55/222157355.db2.gz WGDCGJPRXXDHDM-QFIPXVFZSA-N 1 1 384.524 2.895 50 0 GFAAMO CN1CC[N@@H+](C)CC12CCN(Cc1sc(N3CCCC3)nc1Cl)CC2 ZINC000067946993 222169774 /nfs/dbraw/zinc/16/97/74/222169774.db2.gz JEEZEIXCRFPYEE-UHFFFAOYSA-N 1 1 383.993 2.609 50 0 GFAAMO COCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071524743 222186124 /nfs/dbraw/zinc/18/61/24/222186124.db2.gz IVYMXKDMGKDSBB-OAQYLSRUSA-N 1 1 387.568 2.510 50 0 GFAAMO O=C(NCCc1ccco1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071662849 222186394 /nfs/dbraw/zinc/18/63/94/222186394.db2.gz AGYDRGNITTZJFO-FQEVSTJZSA-N 1 1 396.535 2.710 50 0 GFAAMO Cc1cccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1C ZINC000071738897 222186722 /nfs/dbraw/zinc/18/67/22/222186722.db2.gz WRLLAVOJISBSBR-GOSISDBHSA-N 1 1 383.536 2.899 50 0 GFAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000071681372 222187421 /nfs/dbraw/zinc/18/74/21/222187421.db2.gz GGRPJYMXTSQYHO-IBGZPJMESA-N 1 1 389.455 2.825 50 0 GFAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000071681372 222187427 /nfs/dbraw/zinc/18/74/27/222187427.db2.gz GGRPJYMXTSQYHO-IBGZPJMESA-N 1 1 389.455 2.825 50 0 GFAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccoc3)CC2)C1 ZINC000071730323 222188222 /nfs/dbraw/zinc/18/82/22/222188222.db2.gz NXVAORJKCLSEJE-FQEVSTJZSA-N 1 1 382.508 2.667 50 0 GFAAMO CC(C)[C@H]1CN(c2cc(NCCO)ncn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071763340 222193803 /nfs/dbraw/zinc/19/38/03/222193803.db2.gz NOKVZHWKRZVZQS-LJQANCHMSA-N 1 1 387.503 2.757 50 0 GFAAMO CCOc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000072117698 222206690 /nfs/dbraw/zinc/20/66/90/222206690.db2.gz VUQPERZULUXGRE-UHFFFAOYSA-N 1 1 396.495 2.830 50 0 GFAAMO CN1C[C@@]2(CCC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)CC2)OC1=O ZINC000072129093 222208143 /nfs/dbraw/zinc/20/81/43/222208143.db2.gz BOCQRRNZDFHEQX-NRFANRHFSA-N 1 1 381.480 2.895 50 0 GFAAMO CC(C)[C@@H]1CN(C(=O)CN2CCCCC2=O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072152920 222213188 /nfs/dbraw/zinc/21/31/88/222213188.db2.gz AWXLUPJQXPFFMI-FQEVSTJZSA-N 1 1 389.515 2.897 50 0 GFAAMO CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3-c3nn[nH]n3)C2)C1 ZINC000072169287 222214148 /nfs/dbraw/zinc/21/41/48/222214148.db2.gz KIZOUUJZHHAUED-OAQYLSRUSA-N 1 1 382.512 2.841 50 0 GFAAMO CC(C)[C@H]1CN(C(=O)CCCn2cncn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072162044 222214696 /nfs/dbraw/zinc/21/46/96/222214696.db2.gz SCVJMPMKKZYIFM-HXUWFJFHSA-N 1 1 387.503 2.957 50 0 GFAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NCCn2cccn2)Cc2ccccc2C1 ZINC000072172637 222216598 /nfs/dbraw/zinc/21/65/98/222216598.db2.gz SMPLWNKMESYGSS-UHFFFAOYSA-N 1 1 388.515 2.711 50 0 GFAAMO CC(C)c1ccc(-c2noc(CCN3CCN(CCC[NH+](C)C)CC3)n2)cc1 ZINC000072405396 222256082 /nfs/dbraw/zinc/25/60/82/222256082.db2.gz KQZTXPYXALBTNP-UHFFFAOYSA-N 1 1 385.556 2.972 50 0 GFAAMO CNc1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)cn1 ZINC000095505216 222338493 /nfs/dbraw/zinc/33/84/93/222338493.db2.gz WAFGUTOCABZSMK-SFHVURJKSA-N 1 1 397.523 2.554 50 0 GFAAMO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000077288013 222277955 /nfs/dbraw/zinc/27/79/55/222277955.db2.gz TVMMBDVGFPDREJ-GOSISDBHSA-N 1 1 381.476 2.635 50 0 GFAAMO C[N@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O ZINC000077343938 222278869 /nfs/dbraw/zinc/27/88/69/222278869.db2.gz JKMCLPDXFSWKOT-UHFFFAOYSA-N 1 1 399.535 2.774 50 0 GFAAMO CC(C)N1C[C@@]2(CCC[N@H+](CC(=O)NCc3ccccc3F)C2)CCC1=O ZINC000077380298 222279296 /nfs/dbraw/zinc/27/92/96/222279296.db2.gz NRVTWLCXQNCECD-NRFANRHFSA-N 1 1 375.488 2.555 50 0 GFAAMO CC(C)N1C[C@@]2(CCC[N@@H+](CC(=O)NCc3ccccc3F)C2)CCC1=O ZINC000077380298 222279297 /nfs/dbraw/zinc/27/92/97/222279297.db2.gz NRVTWLCXQNCECD-NRFANRHFSA-N 1 1 375.488 2.555 50 0 GFAAMO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000077426226 222281469 /nfs/dbraw/zinc/28/14/69/222281469.db2.gz COABUHVPEWTYQL-GOSISDBHSA-N 1 1 383.540 2.698 50 0 GFAAMO COCCn1cncc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC000095519042 222344079 /nfs/dbraw/zinc/34/40/79/222344079.db2.gz YXXICICOSANOHV-INIZCTEOSA-N 1 1 390.915 2.825 50 0 GFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000084536072 222315738 /nfs/dbraw/zinc/31/57/38/222315738.db2.gz IFGUTIGXGBPOCG-UHFFFAOYSA-N 1 1 378.520 2.967 50 0 GFAAMO C[N@@H+](CC(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1)C1CCCC1 ZINC000095527534 222351019 /nfs/dbraw/zinc/35/10/19/222351019.db2.gz ZPZRCGBRCMHGRB-MRXNPFEDSA-N 1 1 387.553 2.968 50 0 GFAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccnnc1 ZINC000095526483 222351771 /nfs/dbraw/zinc/35/17/71/222351771.db2.gz YTSYTOOZNFDFIZ-SFHVURJKSA-N 1 1 399.514 2.532 50 0 GFAAMO Cc1nc2c(c(NCCC[N@H+]3CCC[C@H](CO)C3)n1)Cc1ccccc1OC2 ZINC000096149137 222390206 /nfs/dbraw/zinc/39/02/06/222390206.db2.gz NAGAEPXSIWKOIA-KRWDZBQOSA-N 1 1 382.508 2.775 50 0 GFAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)CCc3ccccc3)CC2)n1C ZINC000096150411 222391836 /nfs/dbraw/zinc/39/18/36/222391836.db2.gz GMEWCZHXNUUHNZ-UHFFFAOYSA-N 1 1 392.507 2.707 50 0 GFAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000096180225 222395771 /nfs/dbraw/zinc/39/57/71/222395771.db2.gz YRGHEKDLHMCJEN-HXUWFJFHSA-N 1 1 378.476 2.992 50 0 GFAAMO O=C(/C=C\c1cc(Br)ccc1F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000097985778 222451341 /nfs/dbraw/zinc/45/13/41/222451341.db2.gz ORCRMGOCSUAHPM-QQNRWZHASA-N 1 1 397.288 2.925 50 0 GFAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1Cc3ccccc3S1)CC2 ZINC000092028810 521723648 /nfs/dbraw/zinc/72/36/48/521723648.db2.gz YKNIUYGMXSNTIG-SFHVURJKSA-N 1 1 382.533 2.822 50 0 GFAAMO CCOC1CC[NH+](CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000058201705 535399501 /nfs/dbraw/zinc/39/95/01/535399501.db2.gz DFEHBOGVZJIFDY-IAGOWNOFSA-N 1 1 375.513 2.740 50 0 GFAAMO CCc1cc(N2CCC(CCC(=O)NC[C@H]3CCC[N@@H+]3CC)CC2)nc(C)n1 ZINC000095499593 536145268 /nfs/dbraw/zinc/14/52/68/536145268.db2.gz BRBLKRXYAWSYEC-HXUWFJFHSA-N 1 1 387.572 2.945 50 0 GFAAMO O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1cccc(Br)c1 ZINC000029157603 551126182 /nfs/dbraw/zinc/12/61/82/551126182.db2.gz KKZSTFCKANGWBL-UHFFFAOYSA-N 1 1 394.313 2.722 50 0 GFAAMO C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(Cl)c2)[C@@H]1c1cccnc1 ZINC000377312994 563471005 /nfs/dbraw/zinc/47/10/05/563471005.db2.gz ZZYLGLYDQRQKSS-WMZOPIPTSA-N 1 1 379.913 2.847 50 0 GFAAMO CCn1nc(C)c(CN2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)c1C ZINC000096838498 570232750 /nfs/dbraw/zinc/23/27/50/570232750.db2.gz GPQUUNSIFSVCAZ-HXUWFJFHSA-N 1 1 386.540 2.597 50 0 GFAAMO CCn1nc(C)c(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)c1C ZINC000096838498 570232753 /nfs/dbraw/zinc/23/27/53/570232753.db2.gz GPQUUNSIFSVCAZ-HXUWFJFHSA-N 1 1 386.540 2.597 50 0 GFAAMO CCn1nc(C)c(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)c1C ZINC000096838498 570232756 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ZINC000065526491 222133102 /nfs/dbraw/zinc/13/31/02/222133102.db2.gz QYESKVVNMNEWJF-FUHWJXTLSA-N 1 1 379.412 2.872 50 0 GFAAMO O=c1c(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)coc2ccccc21 ZINC000065526491 222133106 /nfs/dbraw/zinc/13/31/06/222133106.db2.gz QYESKVVNMNEWJF-FUHWJXTLSA-N 1 1 379.412 2.872 50 0 GFAAMO COc1cccc([C@@H]2CC[N@H+](C3CCN(C(=O)c4ccncc4)CC3)C[C@H]2O)c1 ZINC000065535369 222133531 /nfs/dbraw/zinc/13/35/31/222133531.db2.gz QKZWPTUYBBDVHO-FCHUYYIVSA-N 1 1 395.503 2.545 50 0 GFAAMO CCOc1ccc([C@@H]2NC(=O)N=C(C[NH+]3CCC(C)CC3)C2C(=O)OC)cc1 ZINC000067287152 222144235 /nfs/dbraw/zinc/14/42/35/222144235.db2.gz VWTYLPBJDXELPK-IBGZPJMESA-N 1 1 387.480 2.598 50 0 GFAAMO CCNc1cc(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)[nH+]c(C)n1 ZINC000067603750 222150499 /nfs/dbraw/zinc/15/04/99/222150499.db2.gz KRKAACVIKIBSPD-UHFFFAOYSA-N 1 1 384.484 2.888 50 0 GFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)COc3ccccc3)CC2)[nH+]1 ZINC000067629516 222152366 /nfs/dbraw/zinc/15/23/66/222152366.db2.gz 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Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000071754793 222191333 /nfs/dbraw/zinc/19/13/33/222191333.db2.gz FPMVORUADNNPCV-HXUWFJFHSA-N 1 1 396.535 2.976 50 0 GFAAMO COc1cc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ccc1F ZINC000071479676 222184794 /nfs/dbraw/zinc/18/47/94/222184794.db2.gz MBTBRPCXXGJZBN-QGZVFWFLSA-N 1 1 389.515 2.789 50 0 GFAAMO CC(C)[C@H]1CN(C2CCN(C(=O)c3cnccn3)CC2)CCC[N@H+]1CC1CC1 ZINC000071662582 222185993 /nfs/dbraw/zinc/18/59/93/222185993.db2.gz UEKWTWHYUXFSIS-OAQYLSRUSA-N 1 1 385.556 2.524 50 0 GFAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(c3noc(-c4ccccc4)n3)CC2)C1 ZINC000071745334 222187724 /nfs/dbraw/zinc/18/77/24/222187724.db2.gz PFNNEGXKPKZWKP-KRWDZBQOSA-N 1 1 395.507 2.696 50 0 GFAAMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071753164 222191947 /nfs/dbraw/zinc/19/19/47/222191947.db2.gz NHNARMSFWQBBGP-FQEVSTJZSA-N 1 1 383.536 2.934 50 0 GFAAMO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3c(C(=O)N4CCCC4)nc4ccccn43)C2)n1 ZINC000071763225 222194647 /nfs/dbraw/zinc/19/46/47/222194647.db2.gz GDSDMUSCDGIOAI-GOSISDBHSA-N 1 1 392.507 2.831 50 0 GFAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3c(C(=O)N4CCCC4)nc4ccccn43)C2)n1 ZINC000071763225 222194651 /nfs/dbraw/zinc/19/46/51/222194651.db2.gz GDSDMUSCDGIOAI-GOSISDBHSA-N 1 1 392.507 2.831 50 0 GFAAMO CCN1C[C@@H](CC[NH+]2CCOCC2)[C@](c2ccccc2)(c2cccnc2)C1=O ZINC000071769365 222195778 /nfs/dbraw/zinc/19/57/78/222195778.db2.gz DHPMSMRUUUKJSL-GGAORHGYSA-N 1 1 379.504 2.568 50 0 GFAAMO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c(C)c1 ZINC000072116054 222206788 /nfs/dbraw/zinc/20/67/88/222206788.db2.gz AKEBQIZWFWAKBA-UHFFFAOYSA-N 1 1 396.495 2.748 50 0 GFAAMO C[C@@H]1CN(C(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)CCN1C ZINC000072171232 222217051 /nfs/dbraw/zinc/21/70/51/222217051.db2.gz GGNCPIPLLDZMTL-HXUWFJFHSA-N 1 1 391.559 2.861 50 0 GFAAMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(Cl)cc3F)CC2)CC1 ZINC000072293188 222220074 /nfs/dbraw/zinc/22/00/74/222220074.db2.gz KDXGMOQTONUGEI-UHFFFAOYSA-N 1 1 396.894 2.887 50 0 GFAAMO CC(C)OCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000072309000 222223386 /nfs/dbraw/zinc/22/33/86/222223386.db2.gz ZPCHOCUHJYJDSN-HNNXBMFYSA-N 1 1 385.455 2.658 50 0 GFAAMO COCCCS(=O)(=O)NCC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000072310608 222223529 /nfs/dbraw/zinc/22/35/29/222223529.db2.gz CPQXDLBFRFINAB-UHFFFAOYSA-N 1 1 376.522 2.741 50 0 GFAAMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000072437355 222260568 /nfs/dbraw/zinc/26/05/68/222260568.db2.gz AZCIKTOYIYCDQP-ZDUSSCGKSA-N 1 1 375.332 2.849 50 0 GFAAMO O=C(CC1CCCC1)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000085824365 222325807 /nfs/dbraw/zinc/32/58/07/222325807.db2.gz KVBQGNFCUMKDOQ-OAQYLSRUSA-N 1 1 383.536 2.902 50 0 GFAAMO O=C(CC1CCCC1)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000085824365 222325808 /nfs/dbraw/zinc/32/58/08/222325808.db2.gz KVBQGNFCUMKDOQ-OAQYLSRUSA-N 1 1 383.536 2.902 50 0 GFAAMO CCCCn1ccnc1C1CCN(C(=O)C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000095499609 222334323 /nfs/dbraw/zinc/33/43/23/222334323.db2.gz AHVABQXDCMJIGM-IBGZPJMESA-N 1 1 376.545 2.889 50 0 GFAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](CCCn2cnnn2)C1 ZINC000095508703 222340125 /nfs/dbraw/zinc/34/01/25/222340125.db2.gz KAMPFEZJOBNDDK-QGZVFWFLSA-N 1 1 380.452 2.674 50 0 GFAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](CCCn2cnnn2)C1 ZINC000095508704 222340948 /nfs/dbraw/zinc/34/09/48/222340948.db2.gz KAMPFEZJOBNDDK-KRWDZBQOSA-N 1 1 380.452 2.674 50 0 GFAAMO Cc1noc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095508023 222341011 /nfs/dbraw/zinc/34/10/11/222341011.db2.gz UPPVEKHLOLTHKQ-AWEZNQCLSA-N 1 1 378.423 2.965 50 0 GFAAMO Cc1noc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095508023 222341014 /nfs/dbraw/zinc/34/10/14/222341014.db2.gz UPPVEKHLOLTHKQ-AWEZNQCLSA-N 1 1 378.423 2.965 50 0 GFAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)nc3)C2)CN1CCCO ZINC000077406092 222282060 /nfs/dbraw/zinc/28/20/60/222282060.db2.gz LWKQNGASGFNDCX-SFHVURJKSA-N 1 1 385.430 2.687 50 0 GFAAMO COc1c(C)cc(C)cc1C[N@@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082116406 222308042 /nfs/dbraw/zinc/30/80/42/222308042.db2.gz WWNAJGMYHKBKCK-UHFFFAOYSA-N 1 1 385.512 2.686 50 0 GFAAMO COc1c(C)cc(C)cc1C[N@H+]1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082116406 222308045 /nfs/dbraw/zinc/30/80/45/222308045.db2.gz WWNAJGMYHKBKCK-UHFFFAOYSA-N 1 1 385.512 2.686 50 0 GFAAMO Cc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)c2ccc(F)cc2n1 ZINC000082128045 222309870 /nfs/dbraw/zinc/30/98/70/222309870.db2.gz LSFSGVDEWAHWGN-UHFFFAOYSA-N 1 1 384.499 2.924 50 0 GFAAMO Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCC[N@@H+]3C)c2ccc(F)cc2n1 ZINC000082128045 222309872 /nfs/dbraw/zinc/30/98/72/222309872.db2.gz LSFSGVDEWAHWGN-UHFFFAOYSA-N 1 1 384.499 2.924 50 0 GFAAMO Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCC[N@H+]3C)c2ccc(F)cc2n1 ZINC000082128045 222309875 /nfs/dbraw/zinc/30/98/75/222309875.db2.gz LSFSGVDEWAHWGN-UHFFFAOYSA-N 1 1 384.499 2.924 50 0 GFAAMO CN(CCCO)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095519373 222346794 /nfs/dbraw/zinc/34/67/94/222346794.db2.gz SUXDUQWDNOAUGN-LJQANCHMSA-N 1 1 384.948 2.770 50 0 GFAAMO O=C(Nc1cccc(-n2cccn2)c1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000096151991 222390933 /nfs/dbraw/zinc/39/09/33/222390933.db2.gz WTMIPYCPRNTJHZ-LJQANCHMSA-N 1 1 383.496 2.981 50 0 GFAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3cccc(F)c3)CC2)n1C ZINC000096150396 222391983 /nfs/dbraw/zinc/39/19/83/222391983.db2.gz RQBZLLXKFBJJPA-UHFFFAOYSA-N 1 1 382.443 2.527 50 0 GFAAMO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2nc(C)n3ccccc23)CC1 ZINC000096164014 222394762 /nfs/dbraw/zinc/39/47/62/222394762.db2.gz HSVJIDFCHVTNNL-UHFFFAOYSA-N 1 1 381.528 2.695 50 0 GFAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000426423840 534686624 /nfs/dbraw/zinc/68/66/24/534686624.db2.gz YDDXSTDKVSTPTD-KRWDZBQOSA-N 1 1 383.496 2.519 50 0 GFAAMO CCNC(=O)N1CCC(NC(=O)c2ccc(-c3ccc(C)[nH+]c3N)cc2)CC1 ZINC000426534139 528126125 /nfs/dbraw/zinc/12/61/25/528126125.db2.gz XVDFKKYOCWDUSP-UHFFFAOYSA-N 1 1 381.480 2.563 50 0 GFAAMO CCNc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]c(C)n1 ZINC000065364572 535522834 /nfs/dbraw/zinc/52/28/34/535522834.db2.gz CFTYHMDMWPSVPT-UHFFFAOYSA-N 1 1 377.851 2.972 50 0 GFAAMO CN1CCC([N@@H+]2CCN(c3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000072417785 536340035 /nfs/dbraw/zinc/34/00/35/536340035.db2.gz DGADDJFGFBAAIX-IBGZPJMESA-N 1 1 388.943 2.855 50 0 GFAAMO CN1CCC([N@H+]2CCN(c3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000072417785 536340038 /nfs/dbraw/zinc/34/00/38/536340038.db2.gz DGADDJFGFBAAIX-IBGZPJMESA-N 1 1 388.943 2.855 50 0 GFAAMO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000048783573 551157458 /nfs/dbraw/zinc/15/74/58/551157458.db2.gz YMZNYHSEYIGZQS-TXEJJXNPSA-N 1 1 381.325 2.522 50 0 GFAAMO CN(CC[NH+]1CCN(c2ccccc2)CC1)Cc1cc(Br)no1 ZINC000170610774 551635414 /nfs/dbraw/zinc/63/54/14/551635414.db2.gz INXSRAQCFKEUQW-UHFFFAOYSA-N 1 1 379.302 2.691 50 0 GFAAMO C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000252467407 553149887 /nfs/dbraw/zinc/14/98/87/553149887.db2.gz IFFQSZNVSIMOPX-GDBMZVCRSA-N 1 1 395.345 2.669 50 0 GFAAMO C[N@@H+](CCCO)C1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000253430100 553151365 /nfs/dbraw/zinc/15/13/65/553151365.db2.gz WMJUBYLPVQCRHO-UHFFFAOYSA-N 1 1 382.302 2.869 50 0 GFAAMO COc1ccc(CC[N@H+](C)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000019807935 570220703 /nfs/dbraw/zinc/22/07/03/570220703.db2.gz WGGZYHVAZPZHQG-KRWDZBQOSA-N 1 1 386.423 2.649 50 0 GFAAMO COc1ccc(CC[N@@H+](C)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000019807935 570220705 /nfs/dbraw/zinc/22/07/05/570220705.db2.gz WGGZYHVAZPZHQG-KRWDZBQOSA-N 1 1 386.423 2.649 50 0 GFAAMO COc1ccc2ccccc2c1CN1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000104493366 570259130 /nfs/dbraw/zinc/25/91/30/570259130.db2.gz IQKAIMIICRKBCD-OAQYLSRUSA-N 1 1 397.563 2.811 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4nonc43)C[C@H]2CCO)cc1C ZINC000104462783 570259407 /nfs/dbraw/zinc/25/94/07/570259407.db2.gz NJZVXFRVJAIBON-LJQANCHMSA-N 1 1 396.491 2.609 50 0 GFAAMO COc1ccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@H]2CCO)cc1C ZINC000104462783 570259408 /nfs/dbraw/zinc/25/94/08/570259408.db2.gz NJZVXFRVJAIBON-LJQANCHMSA-N 1 1 396.491 2.609 50 0 GFAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@H]2CCO)cc1C ZINC000104462783 570259410 /nfs/dbraw/zinc/25/94/10/570259410.db2.gz NJZVXFRVJAIBON-LJQANCHMSA-N 1 1 396.491 2.609 50 0 GFAAMO O=C(C1=NN(c2ccccc2)C(=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020663759 570274406 /nfs/dbraw/zinc/27/44/06/570274406.db2.gz OEYRCHFVGQNRJW-UHFFFAOYSA-N 1 1 376.460 2.514 50 0 GFAAMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(C)c1 ZINC000021816689 570297078 /nfs/dbraw/zinc/29/70/78/570297078.db2.gz HVUIWIDWROOEKO-NRFANRHFSA-N 1 1 377.488 2.753 50 0 GFAAMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3cccc4nsnc43)CC2)c1 ZINC000022752069 570326333 /nfs/dbraw/zinc/32/63/33/570326333.db2.gz GDGADIIXKJJLEX-UHFFFAOYSA-N 1 1 381.505 2.756 50 0 GFAAMO CC[NH+]1CCN(C2(C(=O)NCCc3ccccc3F)Cc3ccccc3C2)CC1 ZINC000022913366 570334330 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1 1 382.508 2.593 50 0 GFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746335 136157586 /nfs/dbraw/zinc/15/75/86/136157586.db2.gz WKJMUPFPUQJALT-GOSISDBHSA-N 1 1 383.496 2.941 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)ncn1 ZINC000065365426 136163618 /nfs/dbraw/zinc/16/36/18/136163618.db2.gz IXNMIPAIRSRSNR-UHFFFAOYSA-N 1 1 397.870 2.978 50 0 GFAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)nn1 ZINC000070997825 136165531 /nfs/dbraw/zinc/16/55/31/136165531.db2.gz VHKTYBAIIRUBKM-UHFFFAOYSA-N 1 1 382.855 2.587 50 0 GFAAMO Cc1nc2sccc2c(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071774686 136166760 /nfs/dbraw/zinc/16/67/60/136166760.db2.gz GTXINIHSUXBSSF-HNNXBMFYSA-N 1 1 399.564 2.959 50 0 GFAAMO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)nc(C(C)C)n1 ZINC000089599281 136175636 /nfs/dbraw/zinc/17/56/36/136175636.db2.gz KTDDVUGDIWGISV-LJQANCHMSA-N 1 1 385.556 2.964 50 0 GFAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3nc(N)nc4n[nH]cc43)CC2)C1 ZINC000091690798 136177132 /nfs/dbraw/zinc/17/71/32/136177132.db2.gz FVAQNKBSSZJGSF-INIZCTEOSA-N 1 1 377.496 2.641 50 0 GFAAMO COCCN1CCC[C@]2(CC[N@H+](C3CCN(c4ccc(C)cc4)CC3)C2)C1=O ZINC000095391643 136178885 /nfs/dbraw/zinc/17/88/85/136178885.db2.gz PHUCDBOFBKJLFK-HSZRJFAPSA-N 1 1 385.552 2.925 50 0 GFAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095506078 136180107 /nfs/dbraw/zinc/18/01/07/136180107.db2.gz HUNVEUIRLRPXGJ-HNNXBMFYSA-N 1 1 387.447 2.999 50 0 GFAAMO Cc1cc(N2CCC([NH2+]Cc3cnn(C)c3)CC2)nc(-c2ccccc2O)n1 ZINC000095522608 136181206 /nfs/dbraw/zinc/18/12/06/136181206.db2.gz UIRSGDMMBRIGNZ-UHFFFAOYSA-N 1 1 378.480 2.650 50 0 GFAAMO CCc1cc(N2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)nc(N(C)C)n1 ZINC000095527773 136181735 /nfs/dbraw/zinc/18/17/35/136181735.db2.gz MNNZJQBRXPNLFP-LJQANCHMSA-N 1 1 387.503 2.536 50 0 GFAAMO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000223960471 136206163 /nfs/dbraw/zinc/20/61/63/136206163.db2.gz 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CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000058304865 222049854 /nfs/dbraw/zinc/04/98/54/222049854.db2.gz MNLRSGYMQFKPEB-AEFFLSMTSA-N 1 1 398.507 2.585 50 0 GFAAMO CCc1oc(C(N)=O)cc1C[N@H+]1CC=C(c2cnn(-c3ccccn3)c2)CC1 ZINC000065396727 222126938 /nfs/dbraw/zinc/12/69/38/222126938.db2.gz RFXGSDBWLNDEST-UHFFFAOYSA-N 1 1 377.448 2.811 50 0 GFAAMO CCc1oc(C(N)=O)cc1C[N@@H+]1CC=C(c2cnn(-c3ccccn3)c2)CC1 ZINC000065396727 222126940 /nfs/dbraw/zinc/12/69/40/222126940.db2.gz RFXGSDBWLNDEST-UHFFFAOYSA-N 1 1 377.448 2.811 50 0 GFAAMO Cc1cc(C)nc(NC(=O)c2ccc(C[N@@H+](C)Cc3cnc(N)nc3)cc2)c1 ZINC000065397582 222128037 /nfs/dbraw/zinc/12/80/37/222128037.db2.gz SKZNHDJNFVUYNE-UHFFFAOYSA-N 1 1 376.464 2.955 50 0 GFAAMO Cc1cc(C)nc(NC(=O)c2ccc(C[N@H+](C)Cc3cnc(N)nc3)cc2)c1 ZINC000065397582 222128039 /nfs/dbraw/zinc/12/80/39/222128039.db2.gz SKZNHDJNFVUYNE-UHFFFAOYSA-N 1 1 376.464 2.955 50 0 GFAAMO C[C@@H](CN1CCc2ccccc2C1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065451660 222129579 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377.488 2.889 50 0 GFAAMO C[C@@H](C(=O)N1CCC2(CC1)[NH2+]CCNC2=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000067589028 222148685 /nfs/dbraw/zinc/14/86/85/222148685.db2.gz AJMYOGOYMAADTG-MRXNPFEDSA-N 1 1 395.478 2.677 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)ncn1 ZINC000067612663 222152533 /nfs/dbraw/zinc/15/25/33/222152533.db2.gz VLSZVKFFJSPWOA-UHFFFAOYSA-N 1 1 376.464 2.550 50 0 GFAAMO O=C(Nc1ccnn1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1cccnc1 ZINC000067713616 222156421 /nfs/dbraw/zinc/15/64/21/222156421.db2.gz SEMFADZZCNSYGP-UHFFFAOYSA-N 1 1 388.435 2.643 50 0 GFAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3nc(C(C)C)ns3)c2)C1 ZINC000067769626 222158853 /nfs/dbraw/zinc/15/88/53/222158853.db2.gz GJXLDXOGMLWAJK-INIZCTEOSA-N 1 1 387.509 2.624 50 0 GFAAMO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3nc(C(C)C)ns3)c2)C1 ZINC000067769626 222158858 /nfs/dbraw/zinc/15/88/58/222158858.db2.gz GJXLDXOGMLWAJK-INIZCTEOSA-N 1 1 387.509 2.624 50 0 GFAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+]3CCC4(CCCC4)C3)C2=O)c1 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IRIXKBIKZUMGJJ-MRXNPFEDSA-N 1 1 375.538 2.687 50 0 GFAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071760149 222193581 /nfs/dbraw/zinc/19/35/81/222193581.db2.gz ONNMRQKTFHFIFJ-GOSISDBHSA-N 1 1 399.564 2.531 50 0 GFAAMO CC(C)[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071761272 222194011 /nfs/dbraw/zinc/19/40/11/222194011.db2.gz OZFSHULMGCRLRY-IBGZPJMESA-N 1 1 377.504 2.751 50 0 GFAAMO CC(C)[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071761272 222194015 /nfs/dbraw/zinc/19/40/15/222194015.db2.gz OZFSHULMGCRLRY-IBGZPJMESA-N 1 1 377.504 2.751 50 0 GFAAMO CC(C)N1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000072122430 222208524 /nfs/dbraw/zinc/20/85/24/222208524.db2.gz WPCFYHLVPFEGMR-UXHICEINSA-N 1 1 383.540 2.605 50 0 GFAAMO O=C(CCSCc1ccc(F)cc1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072133675 222210787 /nfs/dbraw/zinc/21/07/87/222210787.db2.gz RPFSKKRWCRKABC-LJQANCHMSA-N 1 1 380.529 2.897 50 0 GFAAMO 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CCc1nn2c(nc(C[N@@H+](C)CCOc3ccc(Cl)cc3)cc2=O)s1 ZINC000020961998 551116247 /nfs/dbraw/zinc/11/62/47/551116247.db2.gz JJYVFGYDQNQUFV-UHFFFAOYSA-N 1 1 378.885 2.878 50 0 GFAAMO CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2S(=O)(=O)NC(C)C)CC1 ZINC000170610822 551635895 /nfs/dbraw/zinc/63/58/95/551635895.db2.gz YYOQQCBFZXJNTL-UHFFFAOYSA-N 1 1 379.448 2.534 50 0 GFAAMO CC(C)(C)n1nnc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)n1 ZINC000657330721 565098175 /nfs/dbraw/zinc/09/81/75/565098175.db2.gz XOKGAXJCPGMAIE-CYBMUJFWSA-N 1 1 393.333 2.807 50 0 GFAAMO C[NH+]1CCN(CC(=O)N2CCCC[C@@H]2Cc2cccc(Br)c2)CC1 ZINC000643365129 565431365 /nfs/dbraw/zinc/43/13/65/565431365.db2.gz XJEOWZUBRSBWIC-GOSISDBHSA-N 1 1 394.357 2.620 50 0 GFAAMO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000048060140 570217761 /nfs/dbraw/zinc/21/77/61/570217761.db2.gz KJJWAEWJNTZYLU-UHFFFAOYSA-N 1 1 393.484 2.825 50 0 GFAAMO Cn1cc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000096879131 570232798 /nfs/dbraw/zinc/23/27/98/570232798.db2.gz ZQPAZOCTYRZLQJ-UHFFFAOYSA-N 1 1 396.583 2.624 50 0 GFAAMO COc1ccc(CCNc2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)cc1OC ZINC000001131440 570245947 /nfs/dbraw/zinc/24/59/47/570245947.db2.gz ZHSVEQOKAOLUDB-UHFFFAOYSA-N 1 1 398.511 2.744 50 0 GFAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000247806541 570247148 /nfs/dbraw/zinc/24/71/48/570247148.db2.gz ZUTGZBUZGCQQJA-PMACEKPBSA-N 1 1 399.535 2.572 50 0 GFAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1OC ZINC000020406581 570254335 /nfs/dbraw/zinc/25/43/35/570254335.db2.gz ZRXUZYATBUVKKV-FQEVSTJZSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1OC ZINC000020406581 570254337 /nfs/dbraw/zinc/25/43/37/570254337.db2.gz ZRXUZYATBUVKKV-FQEVSTJZSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1OC ZINC000020406581 570254340 /nfs/dbraw/zinc/25/43/40/570254340.db2.gz ZRXUZYATBUVKKV-FQEVSTJZSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1OC ZINC000020406581 570254342 /nfs/dbraw/zinc/25/43/42/570254342.db2.gz ZRXUZYATBUVKKV-FQEVSTJZSA-N 1 1 388.483 2.912 50 0 GFAAMO CC(C)c1nc2sc3c(ncnc3N3CC[NH+](CCO)CC3)c2c2c1CCC2 ZINC000020440404 570255931 /nfs/dbraw/zinc/25/59/31/570255931.db2.gz OWIXCQHXFWOUJT-UHFFFAOYSA-N 1 1 397.548 2.966 50 0 GFAAMO COc1ccc(CN2CC[N@H+](Cc3ccccc3OC)C[C@@H]2CCO)c(F)c1 ZINC000020450754 570256690 /nfs/dbraw/zinc/25/66/90/570256690.db2.gz AJQRBXGWMBSXHR-IBGZPJMESA-N 1 1 388.483 2.912 50 0 GFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3OC)C[C@@H]2CCO)c(F)c1 ZINC000020450754 570256694 /nfs/dbraw/zinc/25/66/94/570256694.db2.gz AJQRBXGWMBSXHR-IBGZPJMESA-N 1 1 388.483 2.912 50 0 GFAAMO CCc1nc2ccccc2n1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000020937943 570285373 /nfs/dbraw/zinc/28/53/73/570285373.db2.gz IFYUCJKBIMWRIG-UHFFFAOYSA-N 1 1 384.524 2.750 50 0 GFAAMO Cc1nc(NC(=O)c2cccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2)nn1C(C)C ZINC000102671989 570291213 /nfs/dbraw/zinc/29/12/13/570291213.db2.gz RNTCSXOCRATUNR-BWTSREIZSA-N 1 1 383.496 2.907 50 0 GFAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000021793725 570295952 /nfs/dbraw/zinc/29/59/52/570295952.db2.gz QUKWKQSYHRWYBG-UHFFFAOYSA-N 1 1 383.471 2.877 50 0 GFAAMO NC(=O)COCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022054192 570303684 /nfs/dbraw/zinc/30/36/84/570303684.db2.gz LVJDQBJDVOYDLA-NRFANRHFSA-N 1 1 387.911 2.549 50 0 in-vitro GFAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)NCCc1c[nH]c2ccccc12 ZINC000022792986 570328308 /nfs/dbraw/zinc/32/83/08/570328308.db2.gz NKJSBBCYNKTJJG-UHFFFAOYSA-N 1 1 382.533 2.706 50 0 GFAAMO Cc1ccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000022913330 570334297 /nfs/dbraw/zinc/33/42/97/570334297.db2.gz MUZYFAQLZQXZIE-UHFFFAOYSA-N 1 1 398.482 2.719 50 0 GFAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(OC)cc1 ZINC000035349299 570343266 /nfs/dbraw/zinc/34/32/66/570343266.db2.gz UKXUAQJQENTZMU-NQERJWCQSA-N 1 1 395.503 2.879 50 0 GFAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1Cl ZINC000023080335 570343486 /nfs/dbraw/zinc/34/34/86/570343486.db2.gz VFPKJHIEBONEAT-GOSISDBHSA-N 1 1 377.916 2.708 50 0 GFAAMO C[C@@H]1C[NH+](CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H](C)O1 ZINC000023111032 570344206 /nfs/dbraw/zinc/34/42/06/570344206.db2.gz YLOGEJDRTNFZAO-ZIAGYGMSSA-N 1 1 392.887 2.548 50 0 GFAAMO CCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000006264877 570353452 /nfs/dbraw/zinc/35/34/52/570353452.db2.gz HVCNFRMMBHVNIZ-COPCDDAFSA-N 1 1 390.524 2.898 50 0 GFAAMO CCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000006264877 570353456 /nfs/dbraw/zinc/35/34/56/570353456.db2.gz HVCNFRMMBHVNIZ-COPCDDAFSA-N 1 1 390.524 2.898 50 0 GFAAMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000023387221 570360116 /nfs/dbraw/zinc/36/01/16/570360116.db2.gz LQKCJZWZAUWDEY-IBGZPJMESA-N 1 1 384.524 2.644 50 0 GFAAMO CN(C)c1ncc(-c2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c3ccccc3n2)cn1 ZINC000023619023 570366788 /nfs/dbraw/zinc/36/67/88/570366788.db2.gz JDKBBELKZDJCTD-MRXNPFEDSA-N 1 1 390.491 2.582 50 0 GFAAMO NC(=O)c1cccnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024055405 570377796 /nfs/dbraw/zinc/37/77/96/570377796.db2.gz RMMADEZQXQOLHH-UHFFFAOYSA-N 1 1 378.398 2.912 50 0 GFAAMO COCCOc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc1OC ZINC000221904473 570403436 /nfs/dbraw/zinc/40/34/36/570403436.db2.gz ZBGIHTDKKDFJDV-IEBWSBKVSA-N 1 1 399.528 2.516 50 0 GFAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCCN(Cc2ccncc2)CC1 ZINC000222457689 570411315 /nfs/dbraw/zinc/41/13/15/570411315.db2.gz LOIROICQVUWFOM-JOCHJYFZSA-N 1 1 378.520 2.605 50 0 GFAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc(OC)c1OC ZINC000004854417 570412457 /nfs/dbraw/zinc/41/24/57/570412457.db2.gz OXRWNDWIIGBRPZ-KRWDZBQOSA-N 1 1 389.477 2.616 50 0 GFAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc(OC)c1OC ZINC000004854417 570412459 /nfs/dbraw/zinc/41/24/59/570412459.db2.gz OXRWNDWIIGBRPZ-KRWDZBQOSA-N 1 1 389.477 2.616 50 0 GFAAMO CCOCCC[N@H+]1CC[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)[C@H](C)C1 ZINC000239653912 570430349 /nfs/dbraw/zinc/43/03/49/570430349.db2.gz BLOVERYUVJTGPE-SPOLIRPYSA-N 1 1 377.529 2.719 50 0 GFAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N[C@H]2CC[C@H](O)CC2)nc1 ZINC000244795428 570433602 /nfs/dbraw/zinc/43/36/02/570433602.db2.gz RGGANVPBPKFMLE-IYARVYRRSA-N 1 1 385.512 2.937 50 0 GFAAMO C[C@@H]1CCC[C@@H]([N@@H+](CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000248147890 570443754 /nfs/dbraw/zinc/44/37/54/570443754.db2.gz IFFDLLDLBFSSBX-ZIFCJYIRSA-N 1 1 388.508 2.901 50 0 GFAAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)cn1 ZINC000039430505 570591424 /nfs/dbraw/zinc/59/14/24/570591424.db2.gz TVUOHUFFLPFWEW-INIZCTEOSA-N 1 1 386.496 2.562 50 0 GFAAMO CCN(CC)C(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000048015068 570654862 /nfs/dbraw/zinc/65/48/62/570654862.db2.gz OWXHEQQIKVDTRS-UHFFFAOYSA-N 1 1 386.540 2.505 50 0 GFAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc3c(c(Cl)c2)OCO3)C[C@@H](C)O1 ZINC000227798684 570661404 /nfs/dbraw/zinc/66/14/04/570661404.db2.gz JVKYVEUPXJLIDZ-UMVBOHGHSA-N 1 1 380.872 2.783 50 0 GFAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)ccc1C ZINC000006882070 570677699 /nfs/dbraw/zinc/67/76/99/570677699.db2.gz MSHKXQXQOHUEIY-OAHLLOKOSA-N 1 1 381.542 2.696 50 0 GFAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000007005625 570736467 /nfs/dbraw/zinc/73/64/67/570736467.db2.gz DAVGMSFAWNXMPS-INIZCTEOSA-N 1 1 393.509 2.730 50 0 GFAAMO Cc1c(O)ccc2c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)oc12 ZINC000036585069 570743950 /nfs/dbraw/zinc/74/39/50/570743950.db2.gz WAODNQLSDGFDDI-ZBFHGGJFSA-N 1 1 378.428 2.588 50 0 GFAAMO O=c1cc(C[N@@H+]2CCc3ccccc3C2)nc2[nH]c(NCc3cccs3)nn21 ZINC000101797079 570834835 /nfs/dbraw/zinc/83/48/35/570834835.db2.gz WUGYJJLOHAAQPV-UHFFFAOYSA-N 1 1 392.488 2.650 50 0 GFAAMO O=c1cc(C[N@H+]2CCc3ccccc3C2)nc2[nH]c(NCc3cccs3)nn21 ZINC000101797079 570834837 /nfs/dbraw/zinc/83/48/37/570834837.db2.gz WUGYJJLOHAAQPV-UHFFFAOYSA-N 1 1 392.488 2.650 50 0 GFAAMO CCN1C[C@H](C[N@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 ZINC000032814671 570835252 /nfs/dbraw/zinc/83/52/52/570835252.db2.gz MQWRVHHPKKOHRH-CTNGQTDRSA-N 1 1 398.503 2.848 50 0 GFAAMO CCN1C[C@H](C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)=O)cc2)Oc2ccccc21 ZINC000032814671 570835254 /nfs/dbraw/zinc/83/52/54/570835254.db2.gz MQWRVHHPKKOHRH-CTNGQTDRSA-N 1 1 398.503 2.848 50 0 GFAAMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000097095949 570892033 /nfs/dbraw/zinc/89/20/33/570892033.db2.gz NAEAOUJZPXUXRK-UHFFFAOYSA-N 1 1 388.541 2.743 50 0 GFAAMO CCCCc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)s1 ZINC000299757500 570892424 /nfs/dbraw/zinc/89/24/24/570892424.db2.gz IENMOMVZAUXNLR-SJLPKXTDSA-N 1 1 377.510 2.752 50 0 GFAAMO CCc1cccc(NC(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)c1 ZINC000097112883 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384.524 2.562 50 0 GFAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c1C ZINC000071750580 205290067 /nfs/dbraw/zinc/29/00/67/205290067.db2.gz QRWRPGCRQOCGCB-LJQANCHMSA-N 1 1 384.524 2.562 50 0 GFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCOCC1 ZINC000071753930 205290705 /nfs/dbraw/zinc/29/07/05/205290705.db2.gz TZSVHJMSOQHEBE-JOCHJYFZSA-N 1 1 399.579 2.654 50 0 GFAAMO CC(C)c1nccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071754145 205290939 /nfs/dbraw/zinc/29/09/39/205290939.db2.gz MWKVJAPVIAJPQR-KRWDZBQOSA-N 1 1 385.556 2.555 50 0 GFAAMO COc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071764799 205294944 /nfs/dbraw/zinc/29/49/44/205294944.db2.gz HENSLMWPCSPDCQ-FQEVSTJZSA-N 1 1 385.552 2.994 50 0 GFAAMO COc1cccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000072119345 205304842 /nfs/dbraw/zinc/30/48/42/205304842.db2.gz ICKYHDJFALLBPS-UHFFFAOYSA-N 1 1 396.495 2.830 50 0 GFAAMO COCCn1cncc1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072147212 205310341 /nfs/dbraw/zinc/31/03/41/205310341.db2.gz HUVKLUHPJFZYGJ-YTFSRNRJSA-N 1 1 380.536 2.900 50 0 GFAAMO COCCn1cncc1CN1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072147212 205310344 /nfs/dbraw/zinc/31/03/44/205310344.db2.gz HUVKLUHPJFZYGJ-YTFSRNRJSA-N 1 1 380.536 2.900 50 0 GFAAMO CNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)c1 ZINC000072143669 205310696 /nfs/dbraw/zinc/31/06/96/205310696.db2.gz DBFKWXUFQSKVOW-KRWDZBQOSA-N 1 1 393.553 2.512 50 0 GFAAMO CCOc1ccc(C(C)(C)NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)cc1 ZINC000072165377 205314648 /nfs/dbraw/zinc/31/46/48/205314648.db2.gz BOHCXIGIXNMRQL-IBGZPJMESA-N 1 1 387.524 2.570 50 0 GFAAMO CCOc1ccc(C(C)(C)NC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1 ZINC000072165377 205314651 /nfs/dbraw/zinc/31/46/51/205314651.db2.gz BOHCXIGIXNMRQL-IBGZPJMESA-N 1 1 387.524 2.570 50 0 GFAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)C[C@H](C)O1 ZINC000072454129 205352344 /nfs/dbraw/zinc/35/23/44/205352344.db2.gz UQSFSPWZJQLGPC-GASCZTMLSA-N 1 1 386.521 2.919 50 0 GFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2[nH]c(CC)nc2C)C[C@H]1CCO ZINC000076863349 205357030 /nfs/dbraw/zinc/35/70/30/205357030.db2.gz SLDHKSVEPHPATE-LJQANCHMSA-N 1 1 386.540 2.748 50 0 GFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c(CC)nc2C)C[C@H]1CCO ZINC000076863349 205357034 /nfs/dbraw/zinc/35/70/34/205357034.db2.gz SLDHKSVEPHPATE-LJQANCHMSA-N 1 1 386.540 2.748 50 0 GFAAMO Cc1cc(CN2CCC3(CN(CCC[N@H+](C)CC(C)C)C(=O)O3)CC2)on1 ZINC000072410051 205347707 /nfs/dbraw/zinc/34/77/07/205347707.db2.gz RCAMGRQCIZXWAE-UHFFFAOYSA-N 1 1 378.517 2.748 50 0 GFAAMO O=C1CC[C@]2(CCC[N@H+](C3CSCCSC3)C2)CN1CCc1c[nH]cn1 ZINC000082116218 205387720 /nfs/dbraw/zinc/38/77/20/205387720.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 1 1 394.610 2.505 50 0 GFAAMO O=C1CC[C@]2(CCC[N@@H+](C3CSCCSC3)C2)CN1CCc1cnc[nH]1 ZINC000082116218 205387725 /nfs/dbraw/zinc/38/77/25/205387725.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 1 1 394.610 2.505 50 0 GFAAMO O=C1CC[C@]2(CCC[N@H+](C3CSCCSC3)C2)CN1CCc1cnc[nH]1 ZINC000082116218 205387727 /nfs/dbraw/zinc/38/77/27/205387727.db2.gz UXXWMYHBZXGWON-IBGZPJMESA-N 1 1 394.610 2.505 50 0 GFAAMO COc1ccc(CC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000032818676 206092187 /nfs/dbraw/zinc/09/21/87/206092187.db2.gz FZZDOUOQAMCLKJ-JOCHJYFZSA-N 1 1 381.520 2.733 50 0 GFAAMO COc1ccc(CC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000032818676 206092193 /nfs/dbraw/zinc/09/21/93/206092193.db2.gz FZZDOUOQAMCLKJ-JOCHJYFZSA-N 1 1 381.520 2.733 50 0 GFAAMO COc1ccc(CC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000032818676 206092199 /nfs/dbraw/zinc/09/21/99/206092199.db2.gz FZZDOUOQAMCLKJ-JOCHJYFZSA-N 1 1 381.520 2.733 50 0 GFAAMO O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000253433194 206146930 /nfs/dbraw/zinc/14/69/30/206146930.db2.gz TUGWBQFNDKSGGJ-KRWDZBQOSA-N 1 1 387.307 2.724 50 0 GFAAMO O=C(CCc1ccccc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230633 136174600 /nfs/dbraw/zinc/17/46/00/136174600.db2.gz DFXXCBBFLAKEIC-UHFFFAOYSA-N 1 1 379.508 2.748 50 0 GFAAMO Cc1cccc(N2CCN(C(=O)Nc3cc(-c4cccnc4)nn3C)CC2)[nH+]1 ZINC000095510837 136180686 /nfs/dbraw/zinc/18/06/86/136180686.db2.gz GGIQPMKKLYACPO-UHFFFAOYSA-N 1 1 377.452 2.540 50 0 GFAAMO Cc1ccc2nc(CNC(=O)N3CCCN(c4cc[nH+]cc4C)CC3)[nH]c2c1 ZINC000426408886 534497331 /nfs/dbraw/zinc/49/73/31/534497331.db2.gz DGUQNLMRGSWAMM-UHFFFAOYSA-N 1 1 378.480 2.997 50 0 GFAAMO COc1cc(N2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)ncn1 ZINC000072170463 536829480 /nfs/dbraw/zinc/82/94/80/536829480.db2.gz GBYBMSSBHBXIOS-QGZVFWFLSA-N 1 1 386.496 2.646 50 0 GFAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cncc(Br)c2)C[C@H](C)O1 ZINC000221982917 553055056 /nfs/dbraw/zinc/05/50/56/553055056.db2.gz SJLGABRHPKOWJI-DVOMOZLQSA-N 1 1 397.317 2.950 50 0 GFAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cncc(Br)c2)C[C@H](C)O1 ZINC000221982917 553055058 /nfs/dbraw/zinc/05/50/58/553055058.db2.gz SJLGABRHPKOWJI-DVOMOZLQSA-N 1 1 397.317 2.950 50 0 GFAAMO Cc1ccc(NC(=O)N2CCC(N3CC[NH+](CCO)CC3)CC2)cc1C(C)C ZINC000096133547 570211968 /nfs/dbraw/zinc/21/19/68/570211968.db2.gz VYGZZGBZHWVWFM-UHFFFAOYSA-N 1 1 388.556 2.725 50 0 GFAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn3cc(C)ccc3n1)CC2 ZINC000096149290 570214900 /nfs/dbraw/zinc/21/49/00/570214900.db2.gz QNZNFFDMNGAKEY-UHFFFAOYSA-N 1 1 392.507 2.765 50 0 GFAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC000048311946 570233415 /nfs/dbraw/zinc/23/34/15/570233415.db2.gz LDYNOQGAHYTUGE-QGZVFWFLSA-N 1 1 395.503 2.713 50 0 GFAAMO C[NH+]1CCN(Cc2ccc(C(=O)NC3(c4cc(F)ccc4F)CC3)o2)CC1 ZINC000097468374 570244588 /nfs/dbraw/zinc/24/45/88/570244588.db2.gz HGTOYGCSYAYFGU-UHFFFAOYSA-N 1 1 375.419 2.724 50 0 GFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020209481 570248249 /nfs/dbraw/zinc/24/82/49/570248249.db2.gz DYRFTDKXQKFLSB-QGZVFWFLSA-N 1 1 379.526 2.689 50 0 GFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020209481 570248250 /nfs/dbraw/zinc/24/82/50/570248250.db2.gz DYRFTDKXQKFLSB-QGZVFWFLSA-N 1 1 379.526 2.689 50 0 GFAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020390723 570253792 /nfs/dbraw/zinc/25/37/92/570253792.db2.gz XNWFJPNYSLRIKF-CIAFKFPVSA-N 1 1 386.451 2.829 50 0 GFAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020390723 570253795 /nfs/dbraw/zinc/25/37/95/570253795.db2.gz XNWFJPNYSLRIKF-CIAFKFPVSA-N 1 1 386.451 2.829 50 0 GFAAMO CC[NH+]1CCN(C2(C(=O)NCc3cccc(C)c3)Cc3ccccc3C2)CC1 ZINC000020451612 570257342 /nfs/dbraw/zinc/25/73/42/570257342.db2.gz IXGMNSBXTPUXOE-UHFFFAOYSA-N 1 1 377.532 2.786 50 0 GFAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)c1 ZINC000104396077 570257739 /nfs/dbraw/zinc/25/77/39/570257739.db2.gz PBVVYKOKRQMYKM-HXUWFJFHSA-N 1 1 398.503 2.535 50 0 GFAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)c1 ZINC000104396077 570257742 /nfs/dbraw/zinc/25/77/42/570257742.db2.gz PBVVYKOKRQMYKM-HXUWFJFHSA-N 1 1 398.503 2.535 50 0 GFAAMO CCOC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020481979 570261816 /nfs/dbraw/zinc/26/18/16/570261816.db2.gz SWSMQKYOSSSMNS-UHFFFAOYSA-N 1 1 381.476 2.620 50 0 GFAAMO CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCn3cc[nH+]c3C)no2)cc1 ZINC000020601450 570270294 /nfs/dbraw/zinc/27/02/94/570270294.db2.gz VXFJVECVBQVYDU-UHFFFAOYSA-N 1 1 382.420 2.733 50 0 GFAAMO Cc1ccc(N2CCN(Cc3ccc(C(=O)NCC[NH+](C)C)cc3)CC2)cc1C ZINC000034668109 570292670 /nfs/dbraw/zinc/29/26/70/570292670.db2.gz GZSNNUOLBVVDQB-UHFFFAOYSA-N 1 1 394.563 2.917 50 0 GFAAMO O=C(c1ccn(-c2ccccc2Cl)n1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069744912 570293874 /nfs/dbraw/zinc/29/38/74/570293874.db2.gz GLUQACHRVYXCIR-INIZCTEOSA-N 1 1 388.899 2.710 50 0 GFAAMO CN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1c1ccccc1 ZINC000012296627 570293933 /nfs/dbraw/zinc/29/39/33/570293933.db2.gz CRTKFYNHSTYBSF-HIUFNZKISA-N 1 1 383.536 2.977 50 0 GFAAMO Cc1cnc2c(Cl)c(C(=O)N[C@@H](C)C[N@H+]3CCc4ccccc4C3)nn2c1 ZINC000216348724 570299300 /nfs/dbraw/zinc/29/93/00/570299300.db2.gz RYHVTEQVZGEJJA-AWEZNQCLSA-N 1 1 383.883 2.868 50 0 GFAAMO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022147866 570306755 /nfs/dbraw/zinc/30/67/55/570306755.db2.gz JUCJMPNFIKVJKG-HXUWFJFHSA-N 1 1 398.503 2.590 50 0 GFAAMO CCOc1ccc(OCC(=O)NCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000026148964 570312206 /nfs/dbraw/zinc/31/22/06/570312206.db2.gz YCRJWDXPOWQQBG-JOCHJYFZSA-N 1 1 397.519 2.569 50 0 GFAAMO Cc1cccn2c(C[N@@H+]3CCc4ccccc4C3)c(C(=O)N3CCOCC3)nc12 ZINC000023543678 570365186 /nfs/dbraw/zinc/36/51/86/570365186.db2.gz HTWAGXNNUDICQF-UHFFFAOYSA-N 1 1 390.487 2.673 50 0 GFAAMO Cc1cccn2c(C[N@H+]3CCc4ccccc4C3)c(C(=O)N3CCOCC3)nc12 ZINC000023543678 570365187 /nfs/dbraw/zinc/36/51/87/570365187.db2.gz HTWAGXNNUDICQF-UHFFFAOYSA-N 1 1 390.487 2.673 50 0 GFAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)CCn2cnc3ccccc32)C1 ZINC000229623903 570378306 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CCOc1ccccc1C[N@H+]1CCN(Cc2cnn(CC)c2C)C[C@H]1CCO ZINC000039541944 205042270 /nfs/dbraw/zinc/04/22/70/205042270.db2.gz ITLMIEHTMDEJOW-OAQYLSRUSA-N 1 1 386.540 2.679 50 0 GFAAMO COc1cccc(-c2noc(-c3ccc(N4CC[N@@H+](C)[C@@H](C)C4)nc3)n2)c1OC ZINC000039413292 205042935 /nfs/dbraw/zinc/04/29/35/205042935.db2.gz WJEXUZBZQMVNLE-AWEZNQCLSA-N 1 1 395.463 2.956 50 0 GFAAMO C[C@H](CNC(=O)c1csc(-c2cnn(C)c2)n1)[N@@H+]1CCc2sccc2C1 ZINC000045019682 205092307 /nfs/dbraw/zinc/09/23/07/205092307.db2.gz ONSFDFUUMYUWJO-GFCCVEGCSA-N 1 1 387.534 2.782 50 0 GFAAMO C[C@H](CNC(=O)c1csc(-c2cnn(C)c2)n1)[N@H+]1CCc2sccc2C1 ZINC000045019682 205092311 /nfs/dbraw/zinc/09/23/11/205092311.db2.gz ONSFDFUUMYUWJO-GFCCVEGCSA-N 1 1 387.534 2.782 50 0 GFAAMO Cc1nc(C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)nn1-c1ccc(F)cc1 ZINC000047013856 205108008 /nfs/dbraw/zinc/10/80/08/205108008.db2.gz KUZJUYSXRPMQOW-UHFFFAOYSA-N 1 1 391.410 2.534 50 0 GFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(F)c1 ZINC000047032812 205108555 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50 0 GFAAMO Cc1csc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)n1 ZINC000055133325 205143923 /nfs/dbraw/zinc/14/39/23/205143923.db2.gz QPLYGDGBXORNHP-LJQANCHMSA-N 1 1 395.475 2.715 50 0 GFAAMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000055227598 205145136 /nfs/dbraw/zinc/14/51/36/205145136.db2.gz WJYXEYXITCUWEX-LJQANCHMSA-N 1 1 387.480 2.598 50 0 GFAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000055227598 205145139 /nfs/dbraw/zinc/14/51/39/205145139.db2.gz WJYXEYXITCUWEX-LJQANCHMSA-N 1 1 387.480 2.598 50 0 GFAAMO CC[NH+]1CCN(C(=O)c2cc3c(ccn(Cc4ccccc4)c3=O)nc2C)CC1 ZINC000063652902 205186748 /nfs/dbraw/zinc/18/67/48/205186748.db2.gz MBBVJPQZEUNNQO-UHFFFAOYSA-N 1 1 390.487 2.531 50 0 GFAAMO CCOc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000058195930 205167546 /nfs/dbraw/zinc/16/75/46/205167546.db2.gz QNBZUBSKBSLJER-JFIYKMOQSA-N 1 1 376.497 2.808 50 0 GFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 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2.963 50 0 GFAAMO Cc1cc(NC(=O)c2cccc(C[N@@H+](C)Cc3c(C)nn(C)c3C)c2)n(C)n1 ZINC000067561544 205248853 /nfs/dbraw/zinc/24/88/53/205248853.db2.gz SWDVYKGMOXVKNL-UHFFFAOYSA-N 1 1 380.496 2.963 50 0 GFAAMO CCNc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)[nH+]c(C)n1 ZINC000067601915 205250451 /nfs/dbraw/zinc/25/04/51/205250451.db2.gz BJARXMGBOANKPY-UHFFFAOYSA-N 1 1 376.411 2.849 50 0 GFAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@@H+](C)CC3(CO)CCC3)C2=O)cc1 ZINC000067688806 205254889 /nfs/dbraw/zinc/25/48/89/205254889.db2.gz ZFTXUZBUFZVHNG-QHCPKHFHSA-N 1 1 388.552 2.758 50 0 GFAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(F)c3C)CC2)C1 ZINC000067739396 205257411 /nfs/dbraw/zinc/25/74/11/205257411.db2.gz MCYNVDXPQWFYJZ-LJQANCHMSA-N 1 1 391.531 2.573 50 0 GFAAMO CC(C)[C@@H]1CN(C(=O)c2cccc(S(C)(=O)=O)c2)CCC[N@H+]1CC1CC1 ZINC000071388848 205283560 /nfs/dbraw/zinc/28/35/60/205283560.db2.gz NKSWQKIHKKIMJG-IBGZPJMESA-N 1 1 378.538 2.673 50 0 GFAAMO Cc1onc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1CO 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VYEOTBYUXKRWLS-IBGZPJMESA-N 1 1 377.504 2.799 50 0 GFAAMO Cc1cccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071774434 205297905 /nfs/dbraw/zinc/29/79/05/205297905.db2.gz NXBMAYALIWIOAA-FQEVSTJZSA-N 1 1 383.536 2.934 50 0 GFAAMO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000072140632 205309434 /nfs/dbraw/zinc/30/94/34/205309434.db2.gz NJZABGKSBPDMIS-UHFFFAOYSA-N 1 1 396.495 2.830 50 0 GFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)C1 ZINC000072303455 205322209 /nfs/dbraw/zinc/32/22/09/205322209.db2.gz KEOPJKMORRQBPG-POZUXBRTSA-N 1 1 377.916 2.660 50 0 GFAAMO COCCCN1C[C@@]2(CCC[N@@H+](Cc3c(C)nc4ccccn43)C2)CCC1=O ZINC000077520856 205365789 /nfs/dbraw/zinc/36/57/89/205365789.db2.gz IMHCGBBCVPOETE-QFIPXVFZSA-N 1 1 384.524 2.884 50 0 GFAAMO O=C(CC1CCCC1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082098011 205384822 /nfs/dbraw/zinc/38/48/22/205384822.db2.gz BCVWLMOAQXUUAG-IBGZPJMESA-N 1 1 375.557 2.892 50 0 GFAAMO O[C@@H](CNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)c1ccc(Cl)cc1 ZINC000029997497 206069155 /nfs/dbraw/zinc/06/91/55/206069155.db2.gz VHUXDNVQPUAXQS-INIZCTEOSA-N 1 1 388.903 2.871 50 0 GFAAMO CSc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000033335909 206098622 /nfs/dbraw/zinc/09/86/22/206098622.db2.gz ILGFAGCIZCYDBW-SILNSSARSA-N 1 1 395.528 2.953 50 0 GFAAMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000062130059 206103517 /nfs/dbraw/zinc/10/35/17/206103517.db2.gz YFOUMELMFJGHDF-UHFFFAOYSA-N 1 1 394.475 2.541 50 0 GFAAMO COc1ccc(Br)c(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000032810305 206092496 /nfs/dbraw/zinc/09/24/96/206092496.db2.gz GUPOUGPSJGMQAF-OAHLLOKOSA-N 1 1 397.313 2.785 50 0 GFAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc3ccccc32)CC1 ZINC000252501767 206142114 /nfs/dbraw/zinc/14/21/14/206142114.db2.gz UJUUPXNWGMJOQO-HXUWFJFHSA-N 1 1 399.535 2.843 50 0 GFAAMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)C1 ZINC000241869077 206129687 /nfs/dbraw/zinc/12/96/87/206129687.db2.gz SUFNZSBFNQAHBB-STQMWFEESA-N 1 1 388.434 2.690 50 0 GFAAMO CCc1ccc(NC(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1 ZINC000065364469 136163462 /nfs/dbraw/zinc/16/34/62/136163462.db2.gz PCEMMDIJZZFZLI-UHFFFAOYSA-N 1 1 391.479 2.887 50 0 GFAAMO C[C@@H](CNC(=O)[C@@H]1COc2ccccc2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000065566766 136164144 /nfs/dbraw/zinc/16/41/44/136164144.db2.gz MTVODHQXOUNYBI-ICSRJNTNSA-N 1 1 379.504 2.565 50 0 GFAAMO O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079475525 136173132 /nfs/dbraw/zinc/17/31/32/136173132.db2.gz VZTKWCGCPQEXHQ-SFHVURJKSA-N 1 1 399.926 2.691 50 0 GFAAMO CCc1nc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)cc(C)[nH+]1 ZINC000096149317 136184460 /nfs/dbraw/zinc/18/44/60/136184460.db2.gz GIGSYRRZBWOHGE-UHFFFAOYSA-N 1 1 392.511 2.903 50 0 GFAAMO COc1ccc([C@H]2CC(=O)Nc3cc(NC(=O)C[NH+](C)C)c(C)cc32)cc1O ZINC000065397864 222128825 /nfs/dbraw/zinc/12/88/25/222128825.db2.gz JRHPDLBHEZANQJ-CQSZACIVSA-N 1 1 383.448 2.683 50 0 GFAAMO COc1ccc(NC(=O)N2CCCC[C@@H]2CCN2CC[NH+](C)CC2)c(F)c1 ZINC000426433937 534103550 /nfs/dbraw/zinc/10/35/50/534103550.db2.gz BZEIZCAJACTOJV-MRXNPFEDSA-N 1 1 378.492 2.858 50 0 GFAAMO C[N@@H+](CCCO)C1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000116872447 536357104 /nfs/dbraw/zinc/35/71/04/536357104.db2.gz LKMKWXPNMFCAFP-UHFFFAOYSA-N 1 1 395.429 2.840 50 0 GFAAMO COC(=O)c1ccc(OC)c(NC(=O)N2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000095530022 536795214 /nfs/dbraw/zinc/79/52/14/536795214.db2.gz WSXCPUCPJYYLCO-UHFFFAOYSA-N 1 1 384.436 2.539 50 0 GFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000020137417 551115072 /nfs/dbraw/zinc/11/50/72/551115072.db2.gz IZPFCOUVEHHIKL-UHFFFAOYSA-N 1 1 394.269 2.556 50 0 GFAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(Br)ccc1O ZINC000031338140 551129691 /nfs/dbraw/zinc/12/96/91/551129691.db2.gz HXUFHXFWCKIUJS-UHFFFAOYSA-N 1 1 375.266 2.943 50 0 GFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(Br)ccc1O ZINC000031338140 551129694 /nfs/dbraw/zinc/12/96/94/551129694.db2.gz HXUFHXFWCKIUJS-UHFFFAOYSA-N 1 1 375.266 2.943 50 0 GFAAMO CCOC(=O)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019787325 570218757 /nfs/dbraw/zinc/21/87/57/570218757.db2.gz MBNBZHWJLOFIPQ-NRFANRHFSA-N 1 1 380.488 2.753 50 0 GFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000020016798 570235104 /nfs/dbraw/zinc/23/51/04/570235104.db2.gz QCTFMDZMHKQBFU-KRWDZBQOSA-N 1 1 395.569 2.711 50 0 GFAAMO CCOc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020599919 570269654 /nfs/dbraw/zinc/26/96/54/570269654.db2.gz SBXPXZTVNZJMSY-MRXNPFEDSA-N 1 1 385.512 2.568 50 0 GFAAMO OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@H+]1CCc1ccccc1 ZINC000020999901 570287341 /nfs/dbraw/zinc/28/73/41/570287341.db2.gz VHVMTLXMBOXJDK-NRFANRHFSA-N 1 1 382.504 2.569 50 0 GFAAMO O=C(NCc1ccco1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000034677952 570294394 /nfs/dbraw/zinc/29/43/94/570294394.db2.gz SRNWBUNDHLBUTE-UHFFFAOYSA-N 1 1 380.448 2.515 50 0 GFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000023358015 570321572 /nfs/dbraw/zinc/32/15/72/570321572.db2.gz MYUVTGXKMYNOJW-OAQYLSRUSA-N 1 1 397.523 2.611 50 0 GFAAMO Cc1ccc(C)c(OCCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000584904178 570350735 /nfs/dbraw/zinc/35/07/35/570350735.db2.gz RNFUXMHOFDZTIC-IBGZPJMESA-N 1 1 375.513 2.579 50 0 GFAAMO Cc1ccccc1C(=O)NCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024622490 570388134 /nfs/dbraw/zinc/38/81/34/570388134.db2.gz QJSSQHIJPOLTBD-UHFFFAOYSA-N 1 1 379.504 2.502 50 0 GFAAMO C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000043084327 570499798 /nfs/dbraw/zinc/49/97/98/570499798.db2.gz GINOCLKBGOMFFI-WOJBJXKFSA-N 1 1 381.520 2.919 50 0 GFAAMO Nc1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)cn1 ZINC000012385911 570650866 /nfs/dbraw/zinc/65/08/66/570650866.db2.gz JVTQNAKCOGOQDS-MRXNPFEDSA-N 1 1 375.476 2.854 50 0 GFAAMO COC(=O)c1c2c(sc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCCC2 ZINC000012418002 570657181 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OFLAYJUMVBZROV-XLIONFOSSA-N 1 1 376.545 2.961 50 0 GFAAMO C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccco1 ZINC000005938514 204158977 /nfs/dbraw/zinc/15/89/77/204158977.db2.gz OOLDUVWWGVHQAX-ROUUACIJSA-N 1 1 395.459 2.633 50 0 GFAAMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000008405937 204275101 /nfs/dbraw/zinc/27/51/01/204275101.db2.gz PKXFCBISGXMFQT-UHFFFAOYSA-N 1 1 383.473 2.996 50 0 GFAAMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000008405937 204275105 /nfs/dbraw/zinc/27/51/05/204275105.db2.gz PKXFCBISGXMFQT-UHFFFAOYSA-N 1 1 383.473 2.996 50 0 GFAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000011343609 204345489 /nfs/dbraw/zinc/34/54/89/204345489.db2.gz RHLWWCJUMUIGPM-HNNXBMFYSA-N 1 1 394.475 2.920 50 0 GFAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000011343609 204345491 /nfs/dbraw/zinc/34/54/91/204345491.db2.gz RHLWWCJUMUIGPM-HNNXBMFYSA-N 1 1 394.475 2.920 50 0 GFAAMO C[N@H+]1CCCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)CC1 ZINC000011663717 204348892 /nfs/dbraw/zinc/34/88/92/204348892.db2.gz ASDCPFAZMIOJRG-UHFFFAOYSA-N 1 1 382.386 2.785 50 0 GFAAMO C[N@@H+]1CCCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000011663717 204348895 /nfs/dbraw/zinc/34/88/95/204348895.db2.gz ASDCPFAZMIOJRG-UHFFFAOYSA-N 1 1 382.386 2.785 50 0 GFAAMO C[N@H+]1CCCN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000011663717 204348897 /nfs/dbraw/zinc/34/88/97/204348897.db2.gz ASDCPFAZMIOJRG-UHFFFAOYSA-N 1 1 382.386 2.785 50 0 GFAAMO Cc1nn(C)cc1CN(C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000011717379 204351054 /nfs/dbraw/zinc/35/10/54/204351054.db2.gz XALRFSKCLBLDEK-NRFANRHFSA-N 1 1 386.540 2.586 50 0 GFAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000012020583 204367315 /nfs/dbraw/zinc/36/73/15/204367315.db2.gz MJZNPHGLDSSYIC-CQSZACIVSA-N 1 1 383.427 2.560 50 0 GFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccn2)cc1 ZINC000012303050 204390660 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CCNC(=O)N1CC[NH+]([C@H](C(=O)N(C)Cc2ccccc2)C2CCCC2)CC1 ZINC000036310882 205010894 /nfs/dbraw/zinc/01/08/94/205010894.db2.gz LHFVWZBCESHMNE-FQEVSTJZSA-N 1 1 386.540 2.551 50 0 GFAAMO Cc1[nH+]ccn1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)nn1 ZINC000070842997 205024591 /nfs/dbraw/zinc/02/45/91/205024591.db2.gz UEGLIPKBOJJESP-QGZVFWFLSA-N 1 1 394.454 2.643 50 0 GFAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cn(CC)nc2C)C[C@H]1CCO ZINC000039531534 205041957 /nfs/dbraw/zinc/04/19/57/205041957.db2.gz MSRKDXAWDHBVRA-OAQYLSRUSA-N 1 1 386.540 2.679 50 0 GFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cn(CC)nc2C)C[C@H]1CCO ZINC000039531534 205041961 /nfs/dbraw/zinc/04/19/61/205041961.db2.gz MSRKDXAWDHBVRA-OAQYLSRUSA-N 1 1 386.540 2.679 50 0 GFAAMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 ZINC000040051449 205048269 /nfs/dbraw/zinc/04/82/69/205048269.db2.gz HZJBUGBPVGRTHN-SFTDATJTSA-N 1 1 393.487 2.933 50 0 GFAAMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H](c2ccccc2)C1 ZINC000040051449 205048272 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CCCc1cc(N2CC[NH+](Cc3ccc(OCC)cc3)CC2)n2ncnc2n1 ZINC000040149451 570558491 /nfs/dbraw/zinc/55/84/91/570558491.db2.gz SJZRUNDJEATFTL-UHFFFAOYSA-N 1 1 380.496 2.798 50 0 GFAAMO CN(C(=O)CCN1CCCCCC1=O)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012432117 570660093 /nfs/dbraw/zinc/66/00/93/570660093.db2.gz XLOMYWFHHCLBBM-OAQYLSRUSA-N 1 1 397.563 2.869 50 0 GFAAMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)cc1C ZINC000012446586 570666553 /nfs/dbraw/zinc/66/65/53/570666553.db2.gz IRBOTPUNVSTQIH-UHFFFAOYSA-N 1 1 395.551 2.999 50 0 GFAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012573928 570681789 /nfs/dbraw/zinc/68/17/89/570681789.db2.gz BFDCBEPYPHGTBF-HXUWFJFHSA-N 1 1 380.536 2.718 50 0 GFAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cnn(C)c1-n1cccc1 ZINC000583648151 570803991 /nfs/dbraw/zinc/80/39/91/570803991.db2.gz KGSLGCYRLICMDI-QUCCMNQESA-N 1 1 399.539 2.564 50 0 GFAAMO O=C(Nc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000101490879 570825076 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O=C(C1CCC1)N1CC[C@]2(O)CC[N@H+](Cc3ccccc3OC(F)F)C[C@@H]2C1 ZINC000095364387 571057518 /nfs/dbraw/zinc/05/75/18/571057518.db2.gz MBTLHHIXQATWOR-DYESRHJHSA-N 1 1 394.462 2.873 50 0 GFAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cs1 ZINC000095368904 571059850 /nfs/dbraw/zinc/05/98/50/571059850.db2.gz HESBWIDBFGOUGM-MRXNPFEDSA-N 1 1 384.509 2.704 50 0 GFAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cs1 ZINC000095368904 571059853 /nfs/dbraw/zinc/05/98/53/571059853.db2.gz HESBWIDBFGOUGM-MRXNPFEDSA-N 1 1 384.509 2.704 50 0 GFAAMO Cn1c(=O)cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c2ccccc21 ZINC000095376370 571064588 /nfs/dbraw/zinc/06/45/88/571064588.db2.gz NTKNRNANHZSHPZ-QZTJIDSGSA-N 1 1 379.504 2.875 50 0 GFAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000095378703 571066207 /nfs/dbraw/zinc/06/62/07/571066207.db2.gz AEAUIYLDTDEZGF-HXUWFJFHSA-N 1 1 379.504 2.576 50 0 GFAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3ccccc3=O)CC2)C1 ZINC000095378704 571066220 /nfs/dbraw/zinc/06/62/20/571066220.db2.gz AEAUIYLDTDEZGF-FQEVSTJZSA-N 1 1 379.504 2.576 50 0 GFAAMO CC(C)n1ccnc1C1CCN(C(=O)CC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000095526152 571090457 /nfs/dbraw/zinc/09/04/57/571090457.db2.gz GRQKPFATEYCMCG-SFHVURJKSA-N 1 1 375.561 2.586 50 0 GFAAMO COc1cc(C[N@H+](C)CC(C)C)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000095529584 571092520 /nfs/dbraw/zinc/09/25/20/571092520.db2.gz TVXLLPZKSCWDAK-SFHVURJKSA-N 1 1 382.570 2.572 50 0 GFAAMO COc1cc(C[N@@H+](C)CC(C)C)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000095529584 571092521 /nfs/dbraw/zinc/09/25/21/571092521.db2.gz TVXLLPZKSCWDAK-SFHVURJKSA-N 1 1 382.570 2.572 50 0 GFAAMO CN(C)CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095530411 571092736 /nfs/dbraw/zinc/09/27/36/571092736.db2.gz OEZOCFBMROSXTG-FQEVSTJZSA-N 1 1 391.531 2.607 50 0 GFAAMO NC(=O)NCc1cn(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)nn1 ZINC000023145824 654536360 /nfs/dbraw/zinc/53/63/60/654536360.db2.gz WFOQGMALOYNEJP-UHFFFAOYSA-N 1 1 383.283 2.590 50 0 GFAAMO 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380.492 2.502 50 0 GFAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000095357156 208160267 /nfs/dbraw/zinc/16/02/67/208160267.db2.gz ZSOGOHDXHIVBIL-GCJKJVERSA-N 1 1 398.551 2.779 50 0 GFAAMO CCN1CC[C@]2(CN(Cc3nc4c(ccc(C)c4C)[nH]3)CC[N@H+]2C)CCC1=O ZINC000095363507 208164326 /nfs/dbraw/zinc/16/43/26/208164326.db2.gz ZVSWHFIDOMQDMD-QFIPXVFZSA-N 1 1 383.540 2.698 50 0 GFAAMO CCN1CC[C@]2(CN(Cc3nc4ccc(C)c(C)c4[nH]3)CC[N@@H+]2C)CCC1=O ZINC000095363507 208164330 /nfs/dbraw/zinc/16/43/30/208164330.db2.gz ZVSWHFIDOMQDMD-QFIPXVFZSA-N 1 1 383.540 2.698 50 0 GFAAMO CCN1CC[C@]2(CN(Cc3nc4ccc(C)c(C)c4[nH]3)CC[N@H+]2C)CCC1=O ZINC000095363507 208164337 /nfs/dbraw/zinc/16/43/37/208164337.db2.gz ZVSWHFIDOMQDMD-QFIPXVFZSA-N 1 1 383.540 2.698 50 0 GFAAMO OC[C@@]12C[N@H+](C3CCN(Cc4ccccn4)CC3)C[C@@H]1c1ccccc1OC2 ZINC000095370321 208166661 /nfs/dbraw/zinc/16/66/61/208166661.db2.gz FKLYYXGDOLQOAM-FYYLOGMGSA-N 1 1 379.504 2.517 50 0 GFAAMO 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396.491 2.690 50 0 GFAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3nonc3c2)C[C@@H]1CCO ZINC000019782337 207160719 /nfs/dbraw/zinc/16/07/19/207160719.db2.gz IAPFIJRCZJPIPO-IBGZPJMESA-N 1 1 396.491 2.690 50 0 GFAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)CCC(F)(F)F)CC2)CC1 ZINC000019794419 207162223 /nfs/dbraw/zinc/16/22/23/207162223.db2.gz OGSJBVQSODVJFL-UHFFFAOYSA-N 1 1 377.451 2.512 50 0 GFAAMO C[N@@H+](CCNC(=O)C[C@@H]1CSc2ccccc2NC1=O)Cc1ccccc1 ZINC000020031589 207174985 /nfs/dbraw/zinc/17/49/85/207174985.db2.gz FSHIDLYIFZENNW-QGZVFWFLSA-N 1 1 383.517 2.985 50 0 GFAAMO OCC[C@H]1C[N@@H+](Cc2cccc3nccnc23)CCN1Cc1ccc(F)c(F)c1 ZINC000020500119 207199547 /nfs/dbraw/zinc/19/95/47/207199547.db2.gz RGIHQPNXDXVYNX-SFHVURJKSA-N 1 1 398.457 2.977 50 0 GFAAMO C[NH+]1CCN(C(=O)c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c2)CC1 ZINC000020405176 207190745 /nfs/dbraw/zinc/19/07/45/207190745.db2.gz QCQXMICVWGZNIL-UHFFFAOYSA-N 1 1 380.275 2.591 50 0 GFAAMO OCC[C@@H]1CN(Cc2cccc3nonc32)CC[N@H+]1CCCc1ccccc1 ZINC000020598454 207204468 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OCC[C@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)CCN1CCc1ccccc1 ZINC000022852363 207263204 /nfs/dbraw/zinc/26/32/04/207263204.db2.gz PXWSWXBLUDILNX-DEOSSOPVSA-N 1 1 390.531 2.984 50 0 GFAAMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752085 207259805 /nfs/dbraw/zinc/25/98/05/207259805.db2.gz PXTXJJPWDBFVML-UHFFFAOYSA-N 1 1 381.505 2.756 50 0 GFAAMO COc1ccc(-c2noc(CN3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000023130266 207270322 /nfs/dbraw/zinc/27/03/22/207270322.db2.gz BVQMMWQQIANTDR-IYBDPMFKSA-N 1 1 386.496 2.819 50 0 GFAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)CSc2nnc(C)s2)C1 ZINC000023128599 207270782 /nfs/dbraw/zinc/27/07/82/207270782.db2.gz GXIRMMIEAKFIRA-MRXNPFEDSA-N 1 1 391.566 2.847 50 0 GFAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000023236401 207272610 /nfs/dbraw/zinc/27/26/10/207272610.db2.gz XQXQXVMJTZAOHX-HNNXBMFYSA-N 1 1 385.493 2.554 50 0 GFAAMO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH+]1CCN(C2CCCC2)CC1 ZINC000023359020 207275764 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GFAAMO C[C@@H]1CCC[C@H]([N@@H+](CC(=O)N2CCOCC2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000071856406 207962798 /nfs/dbraw/zinc/96/27/98/207962798.db2.gz IFFDLLDLBFSSBX-LMMKCTJWSA-N 1 1 388.508 2.901 50 0 GFAAMO Cc1ncc(CO)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)c1O ZINC000077537988 208049495 /nfs/dbraw/zinc/04/94/95/208049495.db2.gz YEJWSZXCQJWURI-JOCHJYFZSA-N 1 1 389.540 2.839 50 0 GFAAMO Cc1nc(CN2CCC3(CN(CCC[N@H+](C)CC(C)C)C(=O)O3)CC2)co1 ZINC000072419041 208019113 /nfs/dbraw/zinc/01/91/13/208019113.db2.gz QDPSHSRFWKWTQN-UHFFFAOYSA-N 1 1 378.517 2.748 50 0 GFAAMO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cc(F)ccc3C(F)(F)F)CC[C@H]21 ZINC000072424765 208021809 /nfs/dbraw/zinc/02/18/09/208021809.db2.gz QHYUXJPBIAUFIA-SUMWQHHRSA-N 1 1 387.421 2.877 50 0 GFAAMO CCCOc1c(Cl)cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000078878499 208066021 /nfs/dbraw/zinc/06/60/21/208066021.db2.gz NZAQIUZBANNCKM-OAHLLOKOSA-N 1 1 396.915 2.932 50 0 GFAAMO C[N@H+]1CCCC[C@H]1CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000078958481 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GFAAMO Cc1ccc(C(=O)NCCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc1 ZINC000095390531 208174786 /nfs/dbraw/zinc/17/47/86/208174786.db2.gz ZTVJKXRTHNSWJU-TZIWHRDSSA-N 1 1 383.536 2.838 50 0 GFAAMO CN(C)c1ccc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cc1 ZINC000095376853 208169007 /nfs/dbraw/zinc/16/90/07/208169007.db2.gz RMBLVKKBTODHDD-SIKLNZKXSA-N 1 1 378.520 2.813 50 0 GFAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095374084 208170252 /nfs/dbraw/zinc/17/02/52/208170252.db2.gz BYOLKIQNVUGWQL-LJQANCHMSA-N 1 1 396.466 2.717 50 0 GFAAMO O=C(Cc1ccccn1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383432 208172277 /nfs/dbraw/zinc/17/22/77/208172277.db2.gz RVAVZXJPSZEUHP-ZPMCFJSWSA-N 1 1 383.442 2.991 50 0 GFAAMO CN(CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2)Cc1cccnc1 ZINC000095387050 208175260 /nfs/dbraw/zinc/17/52/60/208175260.db2.gz OUWANJIOMVQKPP-FCHUYYIVSA-N 1 1 378.520 2.636 50 0 GFAAMO CN(C)C[C@@H]1C[N@H+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)C[C@@H]1CO ZINC000092061768 208146643 /nfs/dbraw/zinc/14/66/43/208146643.db2.gz CGEUSGBKIQSVBK-QZTJIDSGSA-N 1 1 382.483 2.742 50 0 GFAAMO CN(C)C[C@@H]1C[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)C[C@@H]1CO ZINC000092061768 208146648 /nfs/dbraw/zinc/14/66/48/208146648.db2.gz CGEUSGBKIQSVBK-QZTJIDSGSA-N 1 1 382.483 2.742 50 0 GFAAMO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1N1CCNC1=O ZINC000092099219 208149432 /nfs/dbraw/zinc/14/94/32/208149432.db2.gz WQMKDBISIIDCEX-HXUWFJFHSA-N 1 1 378.476 2.654 50 0 GFAAMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1N1CCNC1=O ZINC000092099219 208149437 /nfs/dbraw/zinc/14/94/37/208149437.db2.gz WQMKDBISIIDCEX-HXUWFJFHSA-N 1 1 378.476 2.654 50 0 GFAAMO Cn1ncc(Cl)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095351966 208156895 /nfs/dbraw/zinc/15/68/95/208156895.db2.gz RYALBZUOZXEPFI-WMLDXEAASA-N 1 1 384.911 2.777 50 0 GFAAMO COc1ccc(-n2ccnc2CN2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)cc1 ZINC000095507298 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GFAAMO CC[NH+]1CCN(C(=O)c2cc(Br)ccc2Br)CC1 ZINC000085423435 208101273 /nfs/dbraw/zinc/10/12/73/208101273.db2.gz ZASHYJPTIAVZEA-UHFFFAOYSA-N 1 1 376.092 2.989 50 0 GFAAMO O=C(C1CCCCC1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082086759 208076160 /nfs/dbraw/zinc/07/61/60/208076160.db2.gz MMFAFUITJVJNAN-LJQANCHMSA-N 1 1 375.557 2.892 50 0 GFAAMO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091505620 208122701 /nfs/dbraw/zinc/12/27/01/208122701.db2.gz DHSJGQGJJMWSPA-HZPDHXFCSA-N 1 1 377.916 2.502 50 0 GFAAMO Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)cc1N1CCNC1=O ZINC000091575397 208122851 /nfs/dbraw/zinc/12/28/51/208122851.db2.gz ORULFUOECKYZJH-FQEVSTJZSA-N 1 1 392.503 2.744 50 0 GFAAMO Cc1nn(CC(=O)N2CCC[N@H+](C3CCCCC3)CC2)c(=O)c2ccccc12 ZINC000091644217 208130739 /nfs/dbraw/zinc/13/07/39/208130739.db2.gz ZOWWFCYTPBOKCY-UHFFFAOYSA-N 1 1 382.508 2.572 50 0 GFAAMO O=C(c1cc(C(F)(F)F)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095352436 208159015 /nfs/dbraw/zinc/15/90/15/208159015.db2.gz WSLLJSVWFTVJGZ-GXTWGEPZSA-N 1 1 379.386 2.560 50 0 GFAAMO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095378843 208171257 /nfs/dbraw/zinc/17/12/57/208171257.db2.gz JHLSWCPYXHMZPN-MRXNPFEDSA-N 1 1 381.436 2.595 50 0 GFAAMO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1[nH]cnc1C)C2 ZINC000091858299 208140050 /nfs/dbraw/zinc/14/00/50/208140050.db2.gz AFROMZAGHXRHBY-LSDHHAIUSA-N 1 1 376.936 2.764 50 0 GFAAMO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1[nH]cnc1C)C2 ZINC000091858299 208140052 /nfs/dbraw/zinc/14/00/52/208140052.db2.gz AFROMZAGHXRHBY-LSDHHAIUSA-N 1 1 376.936 2.764 50 0 GFAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)nc(C)n1 ZINC000091860537 208142309 /nfs/dbraw/zinc/14/23/09/208142309.db2.gz CIJMOAKYZSYRTC-FXAWDEMLSA-N 1 1 376.504 2.797 50 0 GFAAMO Cc1c2cccc(C)c2[nH]c1C[N@@H+]1CC[C@@]2(O)CCN(C(=O)N(C)C)C[C@H]2C1 ZINC000091997845 208145272 /nfs/dbraw/zinc/14/52/72/208145272.db2.gz HQQIXUNIWKXDED-VGOFRKELSA-N 1 1 384.524 2.725 50 0 GFAAMO Cc1cnc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095506335 208206789 /nfs/dbraw/zinc/20/67/89/208206789.db2.gz CUAIHLWXVRXSMU-MISYRCLQSA-N 1 1 384.430 2.766 50 0 GFAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)o1 ZINC000095388758 208175593 /nfs/dbraw/zinc/17/55/93/208175593.db2.gz KYCVUUGLOSWXNF-JOCHJYFZSA-N 1 1 381.476 2.682 50 0 GFAAMO O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095384739 208175847 /nfs/dbraw/zinc/17/58/47/208175847.db2.gz VTPDJRZTOHHPEY-OAQYLSRUSA-N 1 1 375.476 2.780 50 0 GFAAMO CC[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000095403647 208179143 /nfs/dbraw/zinc/17/91/43/208179143.db2.gz HLFWMXNDJMKGGN-UTKZUKDTSA-N 1 1 386.536 2.832 50 0 GFAAMO CC[C@H]1CN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000095403647 208179150 /nfs/dbraw/zinc/17/91/50/208179150.db2.gz HLFWMXNDJMKGGN-UTKZUKDTSA-N 1 1 386.536 2.832 50 0 GFAAMO CCc1c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)cnn1-c1ccc(C)cc1 ZINC000095403655 208179282 /nfs/dbraw/zinc/17/92/82/208179282.db2.gz QYDGYDQWNNKRBT-MSOLQXFVSA-N 1 1 384.524 2.660 50 0 GFAAMO CCCOc1c(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cccc1OCC ZINC000095430502 208182137 /nfs/dbraw/zinc/18/21/37/208182137.db2.gz BQJGPRDTDXKQOT-MRXNPFEDSA-N 1 1 384.542 2.635 50 0 GFAAMO COc1cc(CN(C)Cc2ccnc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095515279 208215280 /nfs/dbraw/zinc/21/52/80/208215280.db2.gz ATMDMPOXEQMGCU-OAQYLSRUSA-N 1 1 399.535 2.866 50 0 GFAAMO Cc1nncn1CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000095524427 208224245 /nfs/dbraw/zinc/22/42/45/208224245.db2.gz CTVMGPSDZVYHMO-GOSISDBHSA-N 1 1 377.492 2.882 50 0 GFAAMO C[N@H+]1CCCN(c2cnn(Cc3cccc(F)c3C(F)(F)F)c(=O)c2)CC1 ZINC000095525832 208224459 /nfs/dbraw/zinc/22/44/59/208224459.db2.gz BOIQYGGSQSXAHE-UHFFFAOYSA-N 1 1 384.377 2.591 50 0 GFAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccnnc1 ZINC000095526482 208225548 /nfs/dbraw/zinc/22/55/48/208225548.db2.gz YTSYTOOZNFDFIZ-GOSISDBHSA-N 1 1 399.514 2.532 50 0 GFAAMO O=C(Nc1ccc2c(c1)CCC2=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000095527857 208225675 /nfs/dbraw/zinc/22/56/75/208225675.db2.gz WQNZTIOFKCFALK-IBGZPJMESA-N 1 1 379.460 2.526 50 0 GFAAMO O=C(Nc1ccc2c(c1)CCC2=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000095527857 208225681 /nfs/dbraw/zinc/22/56/81/208225681.db2.gz WQNZTIOFKCFALK-IBGZPJMESA-N 1 1 379.460 2.526 50 0 GFAAMO COc1ccc(Cc2nc3ccc(C(=O)N[C@H]4CC[N@@H+](C)C4)cc3o2)cc1OC ZINC000095526694 208226427 /nfs/dbraw/zinc/22/64/27/208226427.db2.gz MSKXULFTVLEWFK-INIZCTEOSA-N 1 1 395.459 2.870 50 0 GFAAMO COc1cc(C(=O)N2CCNCC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095528601 208226473 /nfs/dbraw/zinc/22/64/73/208226473.db2.gz IDWQIZNRTFBYQL-UHFFFAOYSA-N 1 1 387.524 2.526 50 0 GFAAMO COC(=O)C1=C2CCOC3=C2[C@@]2(C1)C(=O)[C@@H]1C[C@H]4[N@@H+](C[C@@H](CC3)[C@]42C)C[C@H]1C ZINC000096023819 208252295 /nfs/dbraw/zinc/25/22/95/208252295.db2.gz 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CNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(C)c1 ZINC000097679703 208360533 /nfs/dbraw/zinc/36/05/33/208360533.db2.gz MSYCSPLFIBVCLP-GOSISDBHSA-N 1 1 381.480 2.536 50 0 GFAAMO CNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C)c1 ZINC000097679703 208360539 /nfs/dbraw/zinc/36/05/39/208360539.db2.gz MSYCSPLFIBVCLP-GOSISDBHSA-N 1 1 381.480 2.536 50 0 GFAAMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000121864773 209095788 /nfs/dbraw/zinc/09/57/88/209095788.db2.gz TTYCBBNAXMNRKB-OKILXGFUSA-N 1 1 390.915 2.921 50 0 GFAAMO Cc1nn(C)c2ncc(C(=O)N[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000252535717 209036894 /nfs/dbraw/zinc/03/68/94/209036894.db2.gz GRALOZNBSAJZSJ-YJBOKZPZSA-N 1 1 377.492 2.917 50 0 GFAAMO COc1ccc(CCN(Cc2ccncc2)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000426546304 533478210 /nfs/dbraw/zinc/47/82/10/533478210.db2.gz YVFYGZAXVWXVKZ-HXUWFJFHSA-N 1 1 382.508 2.796 50 0 GFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3cnc4ccccc4n3)CC2)C1)N1CCCC1 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50 0 GFAAMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000071808725 211064171 /nfs/dbraw/zinc/06/41/71/211064171.db2.gz XNLHAZHXYUFTLF-CABCVRRESA-N 1 1 378.484 2.872 50 0 GFAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000071764163 211060099 /nfs/dbraw/zinc/06/00/99/211060099.db2.gz RHXYMXMWNYHZML-INIZCTEOSA-N 1 1 377.479 2.920 50 0 GFAAMO O=C(NCC(F)F)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071747588 211053720 /nfs/dbraw/zinc/05/37/20/211053720.db2.gz KFCKSYRXFKXRMJ-SFHVURJKSA-N 1 1 379.495 2.787 50 0 GFAAMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000071749474 211056408 /nfs/dbraw/zinc/05/64/08/211056408.db2.gz HUJQIBYIWSIHKP-OAHLLOKOSA-N 1 1 375.538 2.652 50 0 GFAAMO O=S(=O)(CCN1CCC[N@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000069491300 211038438 /nfs/dbraw/zinc/03/84/38/211038438.db2.gz DPWUTCDGLHTHCO-CQSZACIVSA-N 1 1 377.337 2.937 50 0 GFAAMO Cc1nc(N(C)CC[N@@H+]2CCCC[C@@H]2C)nc2cc(S(C)(=O)=O)ccc12 ZINC000067724743 211019305 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50 0 GFAAMO Cc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530704 210384133 /nfs/dbraw/zinc/38/41/33/210384133.db2.gz NVKHOWSRDUQNBT-OAQYLSRUSA-N 1 1 377.488 2.856 50 0 GFAAMO Cc1ccc(C)c(OCc2cc(C(=O)N(C)CCC[NH+]3CCOCC3)no2)c1 ZINC000020997075 210373430 /nfs/dbraw/zinc/37/34/30/210373430.db2.gz NKUGTFDHTMQWRH-UHFFFAOYSA-N 1 1 387.480 2.665 50 0 GFAAMO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cnn(C)c2)C[C@@]1(C)CO ZINC000020910998 210367888 /nfs/dbraw/zinc/36/78/88/210367888.db2.gz XJBHIZIWSSDBAP-HOJAQTOUSA-N 1 1 376.932 2.997 50 0 GFAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cnn(C)c2)C[C@@]1(C)CO ZINC000020910998 210367891 /nfs/dbraw/zinc/36/78/91/210367891.db2.gz XJBHIZIWSSDBAP-HOJAQTOUSA-N 1 1 376.932 2.997 50 0 GFAAMO C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287837 210325611 /nfs/dbraw/zinc/32/56/11/210325611.db2.gz ZLUPLXHYDPNXFN-FOIQADDNSA-N 1 1 375.513 2.923 50 0 GFAAMO C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000020287837 210325616 /nfs/dbraw/zinc/32/56/16/210325616.db2.gz ZLUPLXHYDPNXFN-FOIQADDNSA-N 1 1 375.513 2.923 50 0 GFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000020016801 210311525 /nfs/dbraw/zinc/31/15/25/210311525.db2.gz QCTFMDZMHKQBFU-QGZVFWFLSA-N 1 1 395.569 2.711 50 0 GFAAMO OCC[C@H]1CN(Cc2nc3cc(F)ccc3[nH]2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019771457 210296534 /nfs/dbraw/zinc/29/65/34/210296534.db2.gz PWLSCZPSRXKSEP-SFHVURJKSA-N 1 1 386.446 2.910 50 0 GFAAMO OCC[C@H]1CN(Cc2nc3cc(F)ccc3[nH]2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019771457 210296537 /nfs/dbraw/zinc/29/65/37/210296537.db2.gz PWLSCZPSRXKSEP-SFHVURJKSA-N 1 1 386.446 2.910 50 0 GFAAMO CC(C)c1cc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)[nH]n1 ZINC000011820251 221128817 /nfs/dbraw/zinc/12/88/17/221128817.db2.gz RBANNNMMICDJQE-OAHLLOKOSA-N 1 1 386.500 2.542 50 0 GFAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000011717677 221123303 /nfs/dbraw/zinc/12/33/03/221123303.db2.gz LJEUVTZBMVYSDD-GOSISDBHSA-N 1 1 382.855 2.919 50 0 GFAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000011717677 221123306 /nfs/dbraw/zinc/12/33/06/221123306.db2.gz LJEUVTZBMVYSDD-GOSISDBHSA-N 1 1 382.855 2.919 50 0 GFAAMO C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000095949292 136182645 /nfs/dbraw/zinc/18/26/45/136182645.db2.gz GINOCLKBGOMFFI-PMACEKPBSA-N 1 1 381.520 2.919 50 0 GFAAMO O=S(=O)(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)s1 ZINC000012068934 136199964 /nfs/dbraw/zinc/19/99/64/136199964.db2.gz JYGIXTOJGYZCJD-UHFFFAOYSA-N 1 1 399.969 2.892 50 0 GFAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000426503160 534688401 /nfs/dbraw/zinc/68/84/01/534688401.db2.gz JYINMSMFESQZRV-MRSBXDGLSA-N 1 1 381.524 2.540 50 0 GFAAMO CC[NH+]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1 ZINC000426678104 529135777 /nfs/dbraw/zinc/13/57/77/529135777.db2.gz LUXNPVNSIQGESV-UHFFFAOYSA-N 1 1 388.537 2.689 50 0 GFAAMO CCCc1n[nH]cc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072172940 535464719 /nfs/dbraw/zinc/46/47/19/535464719.db2.gz HGSOBNFYRMQWCC-QGZVFWFLSA-N 1 1 399.514 2.928 50 0 GFAAMO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000239591310 553087451 /nfs/dbraw/zinc/08/74/51/553087451.db2.gz BASUOFSVTSGSLE-OAHLLOKOSA-N 1 1 393.336 2.869 50 0 GFAAMO O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000239591310 553087453 /nfs/dbraw/zinc/08/74/53/553087453.db2.gz BASUOFSVTSGSLE-OAHLLOKOSA-N 1 1 393.336 2.869 50 0 GFAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000245237841 553089353 /nfs/dbraw/zinc/08/93/53/553089353.db2.gz YZYFIQSNJHANAG-WFASDCNBSA-N 1 1 379.507 2.560 50 0 GFAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000245237841 553089355 /nfs/dbraw/zinc/08/93/55/553089355.db2.gz YZYFIQSNJHANAG-WFASDCNBSA-N 1 1 379.507 2.560 50 0 GFAAMO COc1ccc(-n2ccnc2CN2CCC[N@@H+](Cc3cccnc3)CC2)cc1 ZINC000215200848 570286313 /nfs/dbraw/zinc/28/63/13/570286313.db2.gz BFOGXOMYUZAATD-UHFFFAOYSA-N 1 1 377.492 2.984 50 0 GFAAMO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)cc2n1 ZINC000216385129 570300445 /nfs/dbraw/zinc/30/04/45/570300445.db2.gz QJQZAXOGHWJKNU-GFCCVEGCSA-N 1 1 381.402 2.755 50 0 GFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000023359952 570322001 /nfs/dbraw/zinc/32/20/01/570322001.db2.gz KWZDLRXIDLBZMH-QGZVFWFLSA-N 1 1 379.476 2.573 50 0 GFAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CC[NH+](C)CC2)o1 ZINC000022938464 570338635 /nfs/dbraw/zinc/33/86/35/570338635.db2.gz HBBIHEQNZUPXQT-LJQANCHMSA-N 1 1 394.475 2.962 50 0 GFAAMO Cc1ccc(-n2nc(C(=O)N3CCC[N@H+](C)CC3)nc2Cc2ccccc2)cc1 ZINC000034911200 570340869 /nfs/dbraw/zinc/34/08/69/570340869.db2.gz SJIOEQDHJRSAQC-UHFFFAOYSA-N 1 1 389.503 2.944 50 0 GFAAMO COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035380335 570347491 /nfs/dbraw/zinc/34/74/91/570347491.db2.gz JJGUWANMTYPWFI-LEWJYISDSA-N 1 1 395.503 2.879 50 0 GFAAMO C[C@@H]1C(=O)N(CN2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccccc1 ZINC000023255672 570352808 /nfs/dbraw/zinc/35/28/08/570352808.db2.gz HKWRRMXCDLQEKE-MRXNPFEDSA-N 1 1 384.505 2.681 50 0 GFAAMO CC[NH+]1CCN(CC2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000033312386 570406419 /nfs/dbraw/zinc/40/64/19/570406419.db2.gz DGBVQAYZXWVBDQ-UHFFFAOYSA-N 1 1 399.988 2.519 50 0 GFAAMO CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871763 570468865 /nfs/dbraw/zinc/46/88/65/570468865.db2.gz PIMQXHKZXYBFLB-IFMALSPDSA-N 1 1 397.494 2.834 50 0 GFAAMO Cc1cc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cnn(C)c2n1 ZINC000252527947 570477567 /nfs/dbraw/zinc/47/75/67/570477567.db2.gz DUMMDWSZDNAXRD-AEFFLSMTSA-N 1 1 377.492 2.917 50 0 GFAAMO CCCn1c2ccccc2n(CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1=O ZINC000030030349 570485501 /nfs/dbraw/zinc/48/55/01/570485501.db2.gz GFTPOEJMMNUYNJ-NRFANRHFSA-N 1 1 392.503 2.728 50 0 GFAAMO CCCn1c2ccccc2n(CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1=O ZINC000030030349 570485503 /nfs/dbraw/zinc/48/55/03/570485503.db2.gz GFTPOEJMMNUYNJ-NRFANRHFSA-N 1 1 392.503 2.728 50 0 GFAAMO C[N@@H+]1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)[C@H](c2ccccc2)C1 ZINC000030030265 570485589 /nfs/dbraw/zinc/48/55/89/570485589.db2.gz NUBWYZDHYDJBGI-NRFANRHFSA-N 1 1 393.487 2.708 50 0 GFAAMO C[N@H+]1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)[C@H](c2ccccc2)C1 ZINC000030030265 570485594 /nfs/dbraw/zinc/48/55/94/570485594.db2.gz NUBWYZDHYDJBGI-NRFANRHFSA-N 1 1 393.487 2.708 50 0 GFAAMO COc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000036089963 570532777 /nfs/dbraw/zinc/53/27/77/570532777.db2.gz AHJLFPFQYKCMJV-LJQANCHMSA-N 1 1 387.549 2.794 50 0 GFAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000064818011 570553628 /nfs/dbraw/zinc/55/36/28/570553628.db2.gz HNIVGTQLYWJJAZ-UHFFFAOYSA-N 1 1 380.444 2.872 50 0 GFAAMO CCCO[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000225401825 570570290 /nfs/dbraw/zinc/57/02/90/570570290.db2.gz XCUMXPKSPFGGJX-SFHVURJKSA-N 1 1 397.560 2.737 50 0 GFAAMO Cn1ccnc1C[NH+]1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000011664470 570578295 /nfs/dbraw/zinc/57/82/95/570578295.db2.gz LYAUMSAZQCBNIP-UHFFFAOYSA-N 1 1 384.480 2.822 50 0 GFAAMO Cc1nn(C)cc1CN(C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000011717367 570580996 /nfs/dbraw/zinc/58/09/96/570580996.db2.gz XALRFSKCLBLDEK-OAQYLSRUSA-N 1 1 386.540 2.586 50 0 GFAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)C(=O)c2ccco2)C1 ZINC000011773624 570582480 /nfs/dbraw/zinc/58/24/80/570582480.db2.gz FYNRYLDWKNXUDE-QGZVFWFLSA-N 1 1 384.476 2.884 50 0 GFAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)C1CC1 ZINC000012039792 570600466 /nfs/dbraw/zinc/60/04/66/570600466.db2.gz PUZSNHNRODJDPF-UHFFFAOYSA-N 1 1 394.519 2.699 50 0 GFAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)cn2)C1 ZINC000012053520 570601656 /nfs/dbraw/zinc/60/16/56/570601656.db2.gz DORRUHNVXNMKLW-SFHVURJKSA-N 1 1 382.508 2.820 50 0 GFAAMO CC(C)CN(C[C@@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(F)c1 ZINC000169681484 570602158 /nfs/dbraw/zinc/60/21/58/570602158.db2.gz LIZGPKJLZNGPIL-VQTJNVASSA-N 1 1 380.504 2.642 50 0 GFAAMO CC(C)CN(C[C@@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1cccc(F)c1 ZINC000169681484 570602160 /nfs/dbraw/zinc/60/21/60/570602160.db2.gz LIZGPKJLZNGPIL-VQTJNVASSA-N 1 1 380.504 2.642 50 0 GFAAMO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1cccc2cccnc21 ZINC000012304190 570637794 /nfs/dbraw/zinc/63/77/94/570637794.db2.gz ZHPWSPWRDGJAJW-QGZVFWFLSA-N 1 1 396.516 2.820 50 0 GFAAMO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1cccc2cccnc21 ZINC000012304190 570637796 /nfs/dbraw/zinc/63/77/96/570637796.db2.gz ZHPWSPWRDGJAJW-QGZVFWFLSA-N 1 1 396.516 2.820 50 0 GFAAMO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)o1 ZINC000012307535 570639961 /nfs/dbraw/zinc/63/99/61/570639961.db2.gz APFZUNNDMYLJMS-KRWDZBQOSA-N 1 1 399.491 2.724 50 0 GFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000025016384 570665203 /nfs/dbraw/zinc/66/52/03/570665203.db2.gz GATNUNHDKOORLU-UHFFFAOYSA-N 1 1 388.414 2.774 50 0 GFAAMO COc1ccc(CC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000036389945 570671435 /nfs/dbraw/zinc/67/14/35/570671435.db2.gz FZZDOUOQAMCLKJ-QFIPXVFZSA-N 1 1 381.520 2.733 50 0 GFAAMO COc1ccc(CC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036389945 570671439 /nfs/dbraw/zinc/67/14/39/570671439.db2.gz FZZDOUOQAMCLKJ-QFIPXVFZSA-N 1 1 381.520 2.733 50 0 GFAAMO COc1ccc(CC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036389945 570671443 /nfs/dbraw/zinc/67/14/43/570671443.db2.gz FZZDOUOQAMCLKJ-QFIPXVFZSA-N 1 1 381.520 2.733 50 0 GFAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cn2nc(C)cc2C)C1 ZINC000012472594 570673275 /nfs/dbraw/zinc/67/32/75/570673275.db2.gz AAVRSFUTESHWLJ-FQEVSTJZSA-N 1 1 398.551 2.922 50 0 GFAAMO CC(C)CCC1=NC(=O)C2(CCN(C(=O)C[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)N1 ZINC000055119338 570683346 /nfs/dbraw/zinc/68/33/46/570683346.db2.gz ZMSYBHHNQOASPM-CALCHBBNSA-N 1 1 376.545 2.575 50 0 GFAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCc2cnccn2)C1 ZINC000012590707 570687198 /nfs/dbraw/zinc/68/71/98/570687198.db2.gz COVHKFPDMQLSHG-LJQANCHMSA-N 1 1 396.535 2.831 50 0 GFAAMO Cc1cnc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cn1 ZINC000055211405 570687449 /nfs/dbraw/zinc/68/74/49/570687449.db2.gz PANXZAMGMKEXKC-IBGZPJMESA-N 1 1 379.508 2.520 50 0 GFAAMO OCc1ccccc1C[NH+]1CCN(Cc2ccccc2Cn2cccn2)CC1 ZINC000055325250 570691319 /nfs/dbraw/zinc/69/13/19/570691319.db2.gz KOKZCRLRENERKC-UHFFFAOYSA-N 1 1 376.504 2.742 50 0 GFAAMO COCC[N@H+]1CC[C@H](C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)C1 ZINC000055359004 570692314 /nfs/dbraw/zinc/69/23/14/570692314.db2.gz ONFJMJAEQDXAKH-SFHVURJKSA-N 1 1 381.476 2.775 50 0 GFAAMO Cc1ccccc1[C@@]1(O)CC[N@H+](CCN2CCN(Cc3ccccc3)CC2)C1 ZINC000244742262 570696292 /nfs/dbraw/zinc/69/62/92/570696292.db2.gz OENRFSRZAOFRJV-XMMPIXPASA-N 1 1 379.548 2.706 50 0 GFAAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](CCN2CCN(Cc3ccccc3)CC2)C1 ZINC000244742262 570696295 /nfs/dbraw/zinc/69/62/95/570696295.db2.gz OENRFSRZAOFRJV-XMMPIXPASA-N 1 1 379.548 2.706 50 0 GFAAMO CCCC(=O)c1cn(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c2ccccc12 ZINC000244875107 570698041 /nfs/dbraw/zinc/69/80/41/570698041.db2.gz XMRQRSLUXLXHEV-ICSRJNTNSA-N 1 1 383.492 2.604 50 0 GFAAMO O[C@H](COc1ccccc1C[NH2+]CCc1ccccc1)CN1CCSCC1 ZINC000012716054 570704277 /nfs/dbraw/zinc/70/42/77/570704277.db2.gz CPKVGTVMGHZETQ-NRFANRHFSA-N 1 1 386.561 2.807 50 0 GFAAMO CC[NH+]1CCN(C(=O)c2cccn2Cc2noc(-c3ccc(C)cc3)n2)CC1 ZINC000065137065 570708395 /nfs/dbraw/zinc/70/83/95/570708395.db2.gz KMWJWBOYQVDPFY-UHFFFAOYSA-N 1 1 379.464 2.673 50 0 GFAAMO Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)sc2n1 ZINC000058170537 570715488 /nfs/dbraw/zinc/71/54/88/570715488.db2.gz CWTJAJMBIZWBHB-AWEZNQCLSA-N 1 1 384.461 2.568 50 0 GFAAMO Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)sc2n1 ZINC000058170537 570715490 /nfs/dbraw/zinc/71/54/90/570715490.db2.gz CWTJAJMBIZWBHB-AWEZNQCLSA-N 1 1 384.461 2.568 50 0 GFAAMO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C)c(S(C)(=O)=O)c2)o1 ZINC000058299532 570725322 /nfs/dbraw/zinc/72/53/22/570725322.db2.gz OTFCWRAEEMOBMQ-UHFFFAOYSA-N 1 1 378.494 2.504 50 0 GFAAMO COc1ccc(OC)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000058315319 570726779 /nfs/dbraw/zinc/72/67/79/570726779.db2.gz UEBUQGQWYJRZPV-MRXNPFEDSA-N 1 1 397.475 2.653 50 0 GFAAMO CC[C@H](CO)[N@@H+](Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1ccccc1C ZINC000063844612 570750764 /nfs/dbraw/zinc/75/07/64/570750764.db2.gz YDCIYWFOGKXOEU-GOSISDBHSA-N 1 1 394.537 2.753 50 0 GFAAMO Cc1ccccc1-n1nc(-c2ccccc2)nc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000063882188 570752719 /nfs/dbraw/zinc/75/27/19/570752719.db2.gz GVKMJNXCPJPHPD-GOSISDBHSA-N 1 1 375.476 2.907 50 0 GFAAMO Cc1ccccc1-n1nc(-c2ccccc2)nc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000063882188 570752723 /nfs/dbraw/zinc/75/27/23/570752723.db2.gz GVKMJNXCPJPHPD-GOSISDBHSA-N 1 1 375.476 2.907 50 0 GFAAMO COc1cccc([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccn4)nc3)C[C@H]2O)c1 ZINC000065373750 570762643 /nfs/dbraw/zinc/76/26/43/570762643.db2.gz QQHFUYVFRDPCQA-PZJWPPBQSA-N 1 1 376.460 2.898 50 0 GFAAMO CCN(C(C)=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3c(C)noc3C)cc2)C1 ZINC000065395084 570765002 /nfs/dbraw/zinc/76/50/02/570765002.db2.gz HUBSPXXCAUBWDH-IBGZPJMESA-N 1 1 384.480 2.986 50 0 GFAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(C)c(F)c3)CC2)C1 ZINC000067562338 570782011 /nfs/dbraw/zinc/78/20/11/570782011.db2.gz MIUBQDRLUSYFQE-LJQANCHMSA-N 1 1 391.531 2.573 50 0 GFAAMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000007251268 570820292 /nfs/dbraw/zinc/82/02/92/570820292.db2.gz JVORVSKCVODWRS-LJQANCHMSA-N 1 1 382.508 2.519 50 0 GFAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012562701 570866964 /nfs/dbraw/zinc/86/69/64/570866964.db2.gz FPXYKMVLNQXSHR-KRWDZBQOSA-N 1 1 383.492 2.991 50 0 GFAAMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012562701 570866968 /nfs/dbraw/zinc/86/69/68/570866968.db2.gz FPXYKMVLNQXSHR-KRWDZBQOSA-N 1 1 383.492 2.991 50 0 GFAAMO CCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000023127802 570913316 /nfs/dbraw/zinc/91/33/16/570913316.db2.gz PMLIIUNBTMHSLG-NRFANRHFSA-N 1 1 395.503 2.767 50 0 GFAAMO CCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000023127802 570913322 /nfs/dbraw/zinc/91/33/22/570913322.db2.gz PMLIIUNBTMHSLG-NRFANRHFSA-N 1 1 395.503 2.767 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCc2nc(-c3cccs3)no2)ccn1 ZINC000047013704 570938448 /nfs/dbraw/zinc/93/84/48/570938448.db2.gz JNWIWLNFHBPYTJ-UHFFFAOYSA-N 1 1 394.460 2.936 50 0 GFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 ZINC000047385281 570955040 /nfs/dbraw/zinc/95/50/40/570955040.db2.gz WDMCISAGXLCMET-SFHVURJKSA-N 1 1 391.431 2.946 50 0 GFAAMO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000107148804 570971116 /nfs/dbraw/zinc/97/11/16/570971116.db2.gz DIRZDXUOSTZEIU-BEFAXECRSA-N 1 1 375.419 2.969 50 0 GFAAMO CC(C)(C)c1n[nH]cc1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420968 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COc1cccc(C[N@H+](C)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000015294677 210155505 /nfs/dbraw/zinc/15/55/05/210155505.db2.gz CQAPFFBHCXHJSN-UHFFFAOYSA-N 1 1 384.476 2.729 50 0 GFAAMO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(C)c3)C2)nn1 ZINC000015001362 210143508 /nfs/dbraw/zinc/14/35/08/210143508.db2.gz SUWMGOIAUCRDPA-GOSISDBHSA-N 1 1 385.512 2.914 50 0 GFAAMO O=C(NC1(c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000014978309 210138493 /nfs/dbraw/zinc/13/84/93/210138493.db2.gz JHLYKAQJAFCLFS-LJQANCHMSA-N 1 1 395.547 2.905 50 0 GFAAMO O=C(c1cn(C2CC[NH+](Cc3nc4ccccc4s3)CC2)nn1)N1CCCC1 ZINC000014978107 210138082 /nfs/dbraw/zinc/13/80/82/210138082.db2.gz JNDPFMPOBZESFZ-UHFFFAOYSA-N 1 1 396.520 2.961 50 0 GFAAMO CCN(CC)C(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C ZINC000014979001 210137664 /nfs/dbraw/zinc/13/76/64/210137664.db2.gz GZLYGLVJJOLLDK-UHFFFAOYSA-N 1 1 391.541 2.616 50 0 GFAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3snnc3C)C2)cc1 ZINC000014950589 210132042 /nfs/dbraw/zinc/13/20/42/210132042.db2.gz PCGROZMGWXREOX-QGZVFWFLSA-N 1 1 388.537 2.882 50 0 GFAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](Cc3ccncc3)C2)cn1 ZINC000014747338 210127097 /nfs/dbraw/zinc/12/70/97/210127097.db2.gz LXCPGKDWNFZWKO-LEWJYISDSA-N 1 1 394.519 2.925 50 0 GFAAMO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014744820 210126455 /nfs/dbraw/zinc/12/64/55/210126455.db2.gz HTPFOZZRHXQJRI-UHFFFAOYSA-N 1 1 384.505 2.614 50 0 GFAAMO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccon1)C2 ZINC000014543488 210120655 /nfs/dbraw/zinc/12/06/55/210120655.db2.gz LXVFOTCOYFDMDJ-QGZVFWFLSA-N 1 1 385.512 2.897 50 0 GFAAMO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccon1)C2 ZINC000014543488 210120660 /nfs/dbraw/zinc/12/06/60/210120660.db2.gz LXVFOTCOYFDMDJ-QGZVFWFLSA-N 1 1 385.512 2.897 50 0 GFAAMO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)N(C)CC(=O)NC2CC2)s1 ZINC000012917873 210027606 /nfs/dbraw/zinc/02/76/06/210027606.db2.gz KPBBFOKFUYOVBL-UHFFFAOYSA-N 1 1 399.560 2.838 50 0 GFAAMO Cc1ccc(CNC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1F ZINC000012907360 210026784 /nfs/dbraw/zinc/02/67/84/210026784.db2.gz NYONFAYSHSQLQQ-UHFFFAOYSA-N 1 1 399.466 2.807 50 0 GFAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000012768796 210004674 /nfs/dbraw/zinc/00/46/74/210004674.db2.gz AEIAFQAOXFOVFP-UHFFFAOYSA-N 1 1 380.897 2.651 50 0 GFAAMO O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@H]1CC([N@@H+]1CCNC(=O)C1)C2 ZINC000244909757 209214645 /nfs/dbraw/zinc/21/46/45/209214645.db2.gz ATXGLTMIKYUJNB-XYPWUTKMSA-N 1 1 396.413 2.665 50 0 GFAAMO O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@H]1CC([N@H+]1CCNC(=O)C1)C2 ZINC000244909757 209214649 /nfs/dbraw/zinc/21/46/49/209214649.db2.gz ATXGLTMIKYUJNB-XYPWUTKMSA-N 1 1 396.413 2.665 50 0 GFAAMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](c2ccccc2)C1 ZINC000026938384 209193281 /nfs/dbraw/zinc/19/32/81/209193281.db2.gz HZJBUGBPVGRTHN-NHCUHLMSSA-N 1 1 393.487 2.933 50 0 GFAAMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@@H](c2ccccc2)C1 ZINC000026938384 209193288 /nfs/dbraw/zinc/19/32/88/209193288.db2.gz HZJBUGBPVGRTHN-NHCUHLMSSA-N 1 1 393.487 2.933 50 0 GFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccccc3-n3cccn3)cc2C1 ZINC000299761429 212032965 /nfs/dbraw/zinc/03/29/65/212032965.db2.gz WMYDLGLJZFHRIN-UHFFFAOYSA-N 1 1 378.480 2.615 50 0 GFAAMO COc1ccc(C)nc1-c1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000299762850 212032595 /nfs/dbraw/zinc/03/25/95/212032595.db2.gz CBBIENIQUZTOOD-LJQANCHMSA-N 1 1 383.492 2.642 50 0 GFAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014930010 211706961 /nfs/dbraw/zinc/70/69/61/211706961.db2.gz YZYFIQSNJHANAG-IUODEOHRSA-N 1 1 379.507 2.560 50 0 GFAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000014930010 211706966 /nfs/dbraw/zinc/70/69/66/211706966.db2.gz YZYFIQSNJHANAG-IUODEOHRSA-N 1 1 379.507 2.560 50 0 GFAAMO CC(C)c1cc(NC(=O)NCCC[NH+]2CCN(C)CC2)n(-c2ccccc2)n1 ZINC000097797548 211373591 /nfs/dbraw/zinc/37/35/91/211373591.db2.gz NAXHYJFNJQVPKK-UHFFFAOYSA-N 1 1 384.528 2.755 50 0 GFAAMO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1ccc(CN2CCCC2)o1 ZINC000097756393 211372076 /nfs/dbraw/zinc/37/20/76/211372076.db2.gz CEKWVRHPUVBSLD-UHFFFAOYSA-N 1 1 377.554 2.965 50 0 GFAAMO CC(C)=CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cccn1)CC2 ZINC000097636724 211369127 /nfs/dbraw/zinc/36/91/27/211369127.db2.gz YHSZVAICABWFDR-KRWDZBQOSA-N 1 1 382.512 2.509 50 0 GFAAMO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC000095939124 211284683 /nfs/dbraw/zinc/28/46/83/211284683.db2.gz UTBBBJFCODTSID-FJIDUMEYSA-N 1 1 379.545 2.726 50 0 GFAAMO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1 ZINC000095530425 211276063 /nfs/dbraw/zinc/27/60/63/211276063.db2.gz JIGMSOWEUSOIHF-SFHVURJKSA-N 1 1 394.519 2.546 50 0 GFAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C2)cc1 ZINC000095525554 211272030 /nfs/dbraw/zinc/27/20/30/211272030.db2.gz 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GFAAMO COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025830757 570420075 /nfs/dbraw/zinc/42/00/75/570420075.db2.gz JXWFOASAHSRAGR-QGZVFWFLSA-N 1 1 395.503 2.594 50 0 GFAAMO O=c1n2ccccc2nn1CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000026910792 570429922 /nfs/dbraw/zinc/42/99/22/570429922.db2.gz GSPUWFRPQHGZOB-UHFFFAOYSA-N 1 1 380.448 2.670 50 0 GFAAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)cc1C ZINC000011846949 570438576 /nfs/dbraw/zinc/43/85/76/570438576.db2.gz VROGDRLFTOQXND-IBGZPJMESA-N 1 1 391.537 2.848 50 0 GFAAMO CCn1c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2nc(C)c1=O ZINC000030030231 570485011 /nfs/dbraw/zinc/48/50/11/570485011.db2.gz AAROMIKJLXPSDI-NRFANRHFSA-N 1 1 390.487 2.854 50 0 GFAAMO CCn1c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2nc(C)c1=O ZINC000030030231 570485014 /nfs/dbraw/zinc/48/50/14/570485014.db2.gz AAROMIKJLXPSDI-NRFANRHFSA-N 1 1 390.487 2.854 50 0 GFAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022788322 570549941 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ZTVNBNKTCLQYGV-HNNXBMFYSA-N 1 1 394.397 2.928 50 0 GFAAMO O=C(c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000012304946 570638295 /nfs/dbraw/zinc/63/82/95/570638295.db2.gz ZTVNBNKTCLQYGV-HNNXBMFYSA-N 1 1 394.397 2.928 50 0 GFAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)Nc3ccccc3)CC2)c1C ZINC000022930826 570652589 /nfs/dbraw/zinc/65/25/89/570652589.db2.gz KMBIJASLAYYELI-UHFFFAOYSA-N 1 1 394.519 2.888 50 0 GFAAMO Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000012588373 570686170 /nfs/dbraw/zinc/68/61/70/570686170.db2.gz LFQDQSKPGLEHAK-KRWDZBQOSA-N 1 1 379.932 2.702 50 0 GFAAMO Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000012588373 570686172 /nfs/dbraw/zinc/68/61/72/570686172.db2.gz LFQDQSKPGLEHAK-KRWDZBQOSA-N 1 1 379.932 2.702 50 0 GFAAMO O=C(NCc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012707503 570700955 /nfs/dbraw/zinc/70/09/55/570700955.db2.gz LQGLFKFNKYGLGU-SFHVURJKSA-N 1 1 387.499 2.555 50 0 GFAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)Cn2nc3ccccc3n2)C1 ZINC000012709459 570701739 /nfs/dbraw/zinc/70/17/39/570701739.db2.gz KVSVHNIJNAHQPJ-HXUWFJFHSA-N 1 1 391.519 2.844 50 0 GFAAMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@H](c2ccccc2)C1 ZINC000036437947 570706489 /nfs/dbraw/zinc/70/64/89/570706489.db2.gz HZJBUGBPVGRTHN-LEWJYISDSA-N 1 1 393.487 2.933 50 0 GFAAMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[C@H](c2ccccc2)C1 ZINC000036437947 570706492 /nfs/dbraw/zinc/70/64/92/570706492.db2.gz HZJBUGBPVGRTHN-LEWJYISDSA-N 1 1 393.487 2.933 50 0 GFAAMO CCCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000058304863 570725475 /nfs/dbraw/zinc/72/54/75/570725475.db2.gz MNLRSGYMQFKPEB-SJLPKXTDSA-N 1 1 398.507 2.585 50 0 GFAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2 ZINC000252485516 570728435 /nfs/dbraw/zinc/72/84/35/570728435.db2.gz GXMYKLIBFRGYNE-KRWDZBQOSA-N 1 1 385.533 2.582 50 0 GFAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1nc2c(s1)CCC2 ZINC000252485516 570728437 /nfs/dbraw/zinc/72/84/37/570728437.db2.gz GXMYKLIBFRGYNE-KRWDZBQOSA-N 1 1 385.533 2.582 50 0 GFAAMO CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cccc(C)c1 ZINC000036550255 570738185 /nfs/dbraw/zinc/73/81/85/570738185.db2.gz ADULOBBAOOBCHI-UXHICEINSA-N 1 1 397.544 2.886 50 0 GFAAMO Cc1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)c(C)c1 ZINC000064083867 570753654 /nfs/dbraw/zinc/75/36/54/570753654.db2.gz QPDAPLMVKQTRJY-RTWAWAEBSA-N 1 1 396.539 2.945 50 0 GFAAMO Cc1ccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)c(C)c1 ZINC000064083867 570753655 /nfs/dbraw/zinc/75/36/55/570753655.db2.gz QPDAPLMVKQTRJY-RTWAWAEBSA-N 1 1 396.539 2.945 50 0 GFAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3c(F)cccc3F)[nH+]c(C)n2)n1 ZINC000065363872 570760711 /nfs/dbraw/zinc/76/07/11/570760711.db2.gz TXDQKAVLDRKJKV-UHFFFAOYSA-N 1 1 386.406 2.708 50 0 GFAAMO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC000065428483 570768038 /nfs/dbraw/zinc/76/80/38/570768038.db2.gz QBCBYDQBCZUMPN-UHFFFAOYSA-N 1 1 381.480 2.555 50 0 GFAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC000065428483 570768041 /nfs/dbraw/zinc/76/80/41/570768041.db2.gz QBCBYDQBCZUMPN-UHFFFAOYSA-N 1 1 381.480 2.555 50 0 GFAAMO O=C1C[C@H](c2ccc(OCCC[NH+]3CCOCC3)cc2)c2ccc(O)cc2N1 ZINC000065435732 570769273 /nfs/dbraw/zinc/76/92/73/570769273.db2.gz QVEZQSVHXCDCJI-HXUWFJFHSA-N 1 1 382.460 2.967 50 0 GFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000065296718 570786985 /nfs/dbraw/zinc/78/69/85/570786985.db2.gz MZYNSBAFTOPJDM-UHFFFAOYSA-N 1 1 399.882 2.502 50 0 GFAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000032769179 570803905 /nfs/dbraw/zinc/80/39/05/570803905.db2.gz PMYHHOBPXDWADV-QGZVFWFLSA-N 1 1 387.505 2.802 50 0 GFAAMO CC1(C)CN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC[N@@H+]1CCO ZINC000170086721 570804451 /nfs/dbraw/zinc/80/44/51/570804451.db2.gz HAFJQOLPZAPLJV-UHFFFAOYSA-N 1 1 397.306 2.708 50 0 GFAAMO 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/nfs/dbraw/zinc/36/44/57/570364457.db2.gz OBMNLSCLJHSGJJ-OAHLLOKOSA-N 1 1 379.464 2.808 50 0 GFAAMO COc1ccc(-c2ncc(C[N@H+]3CCCn4nc([C@@H](C)O)cc4C3)cn2)cc1 ZINC000219497677 570364461 /nfs/dbraw/zinc/36/44/61/570364461.db2.gz OBMNLSCLJHSGJJ-OAHLLOKOSA-N 1 1 379.464 2.808 50 0 GFAAMO CC[C@H]1Cn2c(C(=O)NCCC[NH+]3CCOCC3)cc3c2c(ccc3Cl)O1 ZINC000035477459 570365917 /nfs/dbraw/zinc/36/59/17/570365917.db2.gz GFRXOZNFIOTDIV-AWEZNQCLSA-N 1 1 391.899 2.918 50 0 GFAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035485459 570374769 /nfs/dbraw/zinc/37/47/69/570374769.db2.gz CMYPWYFYCZTSCH-CZAAIQMYSA-N 1 1 379.504 2.719 50 0 GFAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938795 570375307 /nfs/dbraw/zinc/37/53/07/570375307.db2.gz QOSIFLWPBHDLAP-UHFFFAOYSA-N 1 1 382.508 2.882 50 0 aggregator GFAAMO Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958634 570375978 /nfs/dbraw/zinc/37/59/78/570375978.db2.gz QKJYBKZPCFENAZ-UHFFFAOYSA-N 1 1 398.551 2.847 50 0 GFAAMO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024208564 570380755 /nfs/dbraw/zinc/38/07/55/570380755.db2.gz NNZVVBCEGNDYON-UHFFFAOYSA-N 1 1 385.895 2.804 50 0 GFAAMO CC[NH+]1CCN(C(=S)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)CC1 ZINC000004969816 570384588 /nfs/dbraw/zinc/38/45/88/570384588.db2.gz WPVVDTPWPHLMNY-UHFFFAOYSA-N 1 1 399.564 2.714 50 0 GFAAMO CC(=O)c1c(C)nn(CCC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c1C ZINC000222540103 570413928 /nfs/dbraw/zinc/41/39/28/570413928.db2.gz JVOCSFWVWIINOS-FQEVSTJZSA-N 1 1 382.508 2.608 50 0 GFAAMO CCCCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CCCC)c(=O)n1C ZINC000005148193 570427692 /nfs/dbraw/zinc/42/76/92/570427692.db2.gz XMNSPRMIYMDTND-UHFFFAOYSA-N 1 1 388.516 2.719 50 0 GFAAMO C[C@H](Oc1ccc(F)cc1)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027741683 570441152 /nfs/dbraw/zinc/44/11/52/570441152.db2.gz WDCISGBUKXYGOF-KRWDZBQOSA-N 1 1 377.504 2.660 50 0 GFAAMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(C)cc1 ZINC000035877003 570469664 /nfs/dbraw/zinc/46/96/64/570469664.db2.gz QXXLHODIWNSIJU-BULFRSBZSA-N 1 1 393.531 2.857 50 0 GFAAMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC ZINC000030269681 570487693 /nfs/dbraw/zinc/48/76/93/570487693.db2.gz ZDDNHNGFGQBEBW-LBPRGKRZSA-N 1 1 397.541 2.994 50 0 GFAAMO C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000043084325 570499812 /nfs/dbraw/zinc/49/98/12/570499812.db2.gz GINOCLKBGOMFFI-VQTJNVASSA-N 1 1 381.520 2.919 50 0 GFAAMO Cc1nnc([C@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)C2)[nH]1 ZINC000426627891 570502523 /nfs/dbraw/zinc/50/25/23/570502523.db2.gz ZIIJNZZERKCPFE-KRWDZBQOSA-N 1 1 379.468 2.696 50 0 GFAAMO COc1cc(COC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000002686946 570535737 /nfs/dbraw/zinc/53/57/37/570535737.db2.gz HBVSYOPPYRXUFP-IBGZPJMESA-N 1 1 387.476 2.648 50 0 GFAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022788310 570549882 /nfs/dbraw/zinc/54/98/82/570549882.db2.gz SSHHFAUPTKILGS-YOEHRIQHSA-N 1 1 396.329 2.573 50 0 GFAAMO CC(C)C(=O)NCCc1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000012212232 570627274 /nfs/dbraw/zinc/62/72/74/570627274.db2.gz AKRJWGYXHXEKCI-UHFFFAOYSA-N 1 1 391.519 2.804 50 0 GFAAMO CC(C)CCNC(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097096120 570664373 /nfs/dbraw/zinc/66/43/73/570664373.db2.gz JRLCGUHTXGACOL-HXUWFJFHSA-N 1 1 386.540 2.551 50 0 GFAAMO CC(C)CCNC(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097096120 570664375 /nfs/dbraw/zinc/66/43/75/570664375.db2.gz JRLCGUHTXGACOL-HXUWFJFHSA-N 1 1 386.540 2.551 50 0 GFAAMO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000012443312 570665741 /nfs/dbraw/zinc/66/57/41/570665741.db2.gz PFUHMDNXDJTPOK-GOSISDBHSA-N 1 1 387.455 2.854 50 0 GFAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCC1 ZINC000012577280 570682951 /nfs/dbraw/zinc/68/29/51/570682951.db2.gz SLIWDDHRLAWZQG-OAQYLSRUSA-N 1 1 381.564 2.953 50 0 GFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCC1 ZINC000012577280 570682954 /nfs/dbraw/zinc/68/29/54/570682954.db2.gz SLIWDDHRLAWZQG-OAQYLSRUSA-N 1 1 381.564 2.953 50 0 GFAAMO COc1ccc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(OC(C)C)c1 ZINC000242147499 570688626 /nfs/dbraw/zinc/68/86/26/570688626.db2.gz WSHMLZVZDHWDNO-IBGZPJMESA-N 1 1 398.503 2.631 50 0 GFAAMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CCCC2)C1 ZINC000058166174 570713781 /nfs/dbraw/zinc/71/37/81/570713781.db2.gz KKDLEAUSLUPKIY-DLBZAZTESA-N 1 1 394.560 2.552 50 0 GFAAMO CCc1ccccc1NC(=O)CN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000058196502 570718519 /nfs/dbraw/zinc/71/85/19/570718519.db2.gz ZFUHLEUDHQQQSU-HSZRJFAPSA-N 1 1 381.520 2.713 50 0 GFAAMO CCN(Cc1ccccc1)c1ccc(-c2noc(CN3CC[NH+](C)CC3)n2)cn1 ZINC000065216415 570734574 /nfs/dbraw/zinc/73/45/74/570734574.db2.gz WLJQRSFNUZMYII-UHFFFAOYSA-N 1 1 392.507 2.906 50 0 GFAAMO CCN(C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000052680135 570759001 /nfs/dbraw/zinc/75/90/01/570759001.db2.gz HSMYJVYEHUZQHE-UHFFFAOYSA-N 1 1 383.467 2.743 50 0 GFAAMO CC(C)c1nsc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000065383587 570763474 /nfs/dbraw/zinc/76/34/74/570763474.db2.gz WUJCIUCPLDOGBA-OAHLLOKOSA-N 1 1 387.509 2.611 50 0 GFAAMO COc1ccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)c(Cl)c1O ZINC000065425793 570767860 /nfs/dbraw/zinc/76/78/60/570767860.db2.gz KDMJCDMPHOFINT-NNNWTRQLSA-N 1 1 388.895 2.764 50 0 GFAAMO Cc1nnc2cc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)cnn12 ZINC000065282505 570780208 /nfs/dbraw/zinc/78/02/08/570780208.db2.gz JGBKEGONJSRFLS-UHFFFAOYSA-N 1 1 376.386 2.774 50 0 GFAAMO COc1ccc(C)cc1NC(=O)NCCNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC000036708093 570793568 /nfs/dbraw/zinc/79/35/68/570793568.db2.gz YONABGXOHPBPQG-UHFFFAOYSA-N 1 1 384.484 2.936 50 0 GFAAMO COc1cc(OC)cc(C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000036699912 570794631 /nfs/dbraw/zinc/79/46/31/570794631.db2.gz VYCPYRDIVCAOJB-OAQYLSRUSA-N 1 1 384.476 2.897 50 0 GFAAMO COc1cc(OC)cc(C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000036699912 570794635 /nfs/dbraw/zinc/79/46/35/570794635.db2.gz VYCPYRDIVCAOJB-OAQYLSRUSA-N 1 1 384.476 2.897 50 0 GFAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000036700099 570794905 /nfs/dbraw/zinc/79/49/05/570794905.db2.gz QBXXOVNUMLQWBE-OAQYLSRUSA-N 1 1 382.460 2.999 50 0 GFAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000036700099 570794907 /nfs/dbraw/zinc/79/49/07/570794907.db2.gz QBXXOVNUMLQWBE-OAQYLSRUSA-N 1 1 382.460 2.999 50 0 GFAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cc(OC)no1 ZINC000583647588 570804164 /nfs/dbraw/zinc/80/41/64/570804164.db2.gz NDOVSJSFJUILLN-IEBWSBKVSA-N 1 1 393.528 2.745 50 0 GFAAMO C[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccco1 ZINC000005938515 570805717 /nfs/dbraw/zinc/80/57/17/570805717.db2.gz OOLDUVWWGVHQAX-ZWKOTPCHSA-N 1 1 395.459 2.633 50 0 GFAAMO Cc1ccc2c(CN3CC[NH+](Cc4ccc5nonc5c4)CC3)cc(=O)oc2c1 ZINC000033088059 570807000 /nfs/dbraw/zinc/80/70/00/570807000.db2.gz PZWAOVQDNNRGGD-UHFFFAOYSA-N 1 1 390.443 2.955 50 0 GFAAMO COCC[NH+](CCOC)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000037114813 570839029 /nfs/dbraw/zinc/83/90/29/570839029.db2.gz KOOODSWKIFVIRU-UHFFFAOYSA-N 1 1 380.872 2.811 50 0 GFAAMO CC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)CC1 ZINC000033264249 570882858 /nfs/dbraw/zinc/88/28/58/570882858.db2.gz BFTCCUPLQBJWHR-HXUWFJFHSA-N 1 1 386.540 2.762 50 0 GFAAMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C ZINC000022467408 570898302 /nfs/dbraw/zinc/89/83/02/570898302.db2.gz YYOCCHVXHIIFGM-FQEVSTJZSA-N 1 1 398.503 2.590 50 0 GFAAMO Cc1ccc2nc(CCNC(=O)N3CCC([NH+]4CCSCC4)CC3)[nH]c2c1 ZINC000534590751 570906169 /nfs/dbraw/zinc/90/61/69/570906169.db2.gz BEFSMWUSCGOBLE-UHFFFAOYSA-N 1 1 387.553 2.637 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)ccn1 ZINC000047011942 570938044 /nfs/dbraw/zinc/93/80/44/570938044.db2.gz MOVZCHGNLRNBMO-UHFFFAOYSA-N 1 1 389.459 2.561 50 0 GFAAMO O=C(Nc1ccc(F)cc1F)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000107147287 570971287 /nfs/dbraw/zinc/97/12/87/570971287.db2.gz CNQXGNJBYGZNMX-BEFAXECRSA-N 1 1 375.419 2.969 50 0 GFAAMO Cn1nc(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c2ccccc2c1=O ZINC000027347097 570994739 /nfs/dbraw/zinc/99/47/39/570994739.db2.gz DJAMEYMBIUJBNM-IBGZPJMESA-N 1 1 398.894 2.549 50 0 GFAAMO O=C(NCCCn1cccn1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000045712105 570995308 /nfs/dbraw/zinc/99/53/08/570995308.db2.gz GJZXPMNTVZGRCD-UHFFFAOYSA-N 1 1 375.904 2.844 50 0 GFAAMO O=C(NCCCn1cccn1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000045712105 570995313 /nfs/dbraw/zinc/99/53/13/570995313.db2.gz GJZXPMNTVZGRCD-UHFFFAOYSA-N 1 1 375.904 2.844 50 0 GFAAMO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000045918407 571000304 /nfs/dbraw/zinc/00/03/04/571000304.db2.gz LKSMHIOGDYOBBL-HNNXBMFYSA-N 1 1 385.895 2.633 50 0 GFAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(I)o2)N1 ZINC000001430186 571002787 /nfs/dbraw/zinc/00/27/87/571002787.db2.gz BUBVGTWAZMDGTG-LLVKDONJSA-N 1 1 379.161 2.731 50 0 GFAAMO O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000084541269 571022824 /nfs/dbraw/zinc/02/28/24/571022824.db2.gz HGXNDLCQTNNNSV-NRFANRHFSA-N 1 1 395.503 2.611 50 0 GFAAMO CC[N@@H+]1CCc2nc(NC(=O)CN3CCCc4sccc4C3=O)sc2C1 ZINC000084789417 571037538 /nfs/dbraw/zinc/03/75/38/571037538.db2.gz YCUIGWVTDJPKAM-UHFFFAOYSA-N 1 1 390.534 2.610 50 0 GFAAMO CC[N@H+]1CCc2nc(NC(=O)CN3CCCc4sccc4C3=O)sc2C1 ZINC000084789417 571037541 /nfs/dbraw/zinc/03/75/41/571037541.db2.gz YCUIGWVTDJPKAM-UHFFFAOYSA-N 1 1 390.534 2.610 50 0 GFAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCc2nnc(-c3ccccc3)n2CC1 ZINC000095523361 571088576 /nfs/dbraw/zinc/08/85/76/571088576.db2.gz IBJFFLWJFVGKAT-INIZCTEOSA-N 1 1 378.480 2.911 50 0 GFAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1Cl ZINC000008863686 654487225 /nfs/dbraw/zinc/48/72/25/654487225.db2.gz QQSQJEGTUUUDSA-AWEZNQCLSA-N 1 1 381.885 2.768 50 0 GFAAMO OCC[C@H]1C[N@H+](C2CSCCSC2)CCN1Cc1ccc(F)c(F)c1 ZINC000023479028 654538544 /nfs/dbraw/zinc/53/85/44/654538544.db2.gz JAMNZPRJHHIYTB-HNNXBMFYSA-N 1 1 388.549 2.682 50 0 GFAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426503259 231231544 /nfs/dbraw/zinc/23/15/44/231231544.db2.gz KDAIQGSFEDXDBJ-FQEVSTJZSA-N 1 1 394.431 2.727 50 0 GFAAMO c1ccc(OCC[NH+]2CCN(Cc3nc(COc4ccccc4)no3)CC2)cc1 ZINC000019229100 210232512 /nfs/dbraw/zinc/23/25/12/210232512.db2.gz VCGXMRLWOHEFIB-UHFFFAOYSA-N 1 1 394.475 2.845 50 0 GFAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677530 210161718 /nfs/dbraw/zinc/16/17/18/210161718.db2.gz ONUICXBHTZCGCH-UHFFFAOYSA-N 1 1 384.524 2.975 50 0 GFAAMO Cn1c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc2ccccc21 ZINC000015077791 210151284 /nfs/dbraw/zinc/15/12/84/210151284.db2.gz LGPXABUTNNOYMZ-QGZVFWFLSA-N 1 1 395.551 2.528 50 0 GFAAMO CC[C@H]1CN(c2ccc(C(=O)NCCCn3ccnc3C(C)C)cn2)CC[N@H+]1C ZINC000015077406 210151085 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CCN1CC[C@@]2(CN(C(=O)Nc3ccc(F)cc3F)CC[N@H+]2C)CCC1=O ZINC000091860840 211207864 /nfs/dbraw/zinc/20/78/64/211207864.db2.gz QMVRZBIBJQCPSA-LJQANCHMSA-N 1 1 380.439 2.515 50 0 GFAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CCCO)Cc3ccncc3)cc2)C[C@@H](C)O1 ZINC000089936689 211187570 /nfs/dbraw/zinc/18/75/70/211187570.db2.gz BALGIHDLGGYHEJ-RTBURBONSA-N 1 1 397.519 2.716 50 0 GFAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091460020 211192660 /nfs/dbraw/zinc/19/26/60/211192660.db2.gz FOTOSBOQOTWGCT-VGSWGCGISA-N 1 1 389.515 2.911 50 0 GFAAMO Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091460020 211192663 /nfs/dbraw/zinc/19/26/63/211192663.db2.gz FOTOSBOQOTWGCT-VGSWGCGISA-N 1 1 389.515 2.911 50 0 GFAAMO COc1ccc(Cl)cc1C(=O)NCc1cc2n(n1)CC[N@@H+](CC(C)C)C2 ZINC000082126761 211162021 /nfs/dbraw/zinc/16/20/21/211162021.db2.gz VVHAWUFOABNKOL-UHFFFAOYSA-N 1 1 376.888 2.947 50 0 GFAAMO C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000079108131 211155598 /nfs/dbraw/zinc/15/55/98/211155598.db2.gz URVGPQAFBUQEJI-OKILXGFUSA-N 1 1 394.459 2.873 50 0 GFAAMO C[C@@H]1C[N@H+](CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000079108131 211155601 /nfs/dbraw/zinc/15/56/01/211155601.db2.gz URVGPQAFBUQEJI-OKILXGFUSA-N 1 1 394.459 2.873 50 0 GFAAMO CC[N@H+]1CCC[C@@H](c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)C1 ZINC000082161077 211163798 /nfs/dbraw/zinc/16/37/98/211163798.db2.gz KCRQTJTYVBOVQZ-OAHLLOKOSA-N 1 1 376.526 2.557 50 0 GFAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077456537 211135003 /nfs/dbraw/zinc/13/50/03/211135003.db2.gz FGWGEDUBMZFSBU-LJQANCHMSA-N 1 1 385.508 2.527 50 0 GFAAMO COc1cc(SC)c(OC)cc1CN1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072431115 211117378 /nfs/dbraw/zinc/11/73/78/211117378.db2.gz JRHRMQCCHVRKEJ-KRWDZBQOSA-N 1 1 380.554 2.847 50 0 GFAAMO CCCc1noc(CCCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)n1 ZINC000072272848 211083295 /nfs/dbraw/zinc/08/32/95/211083295.db2.gz MWNLVSPLZCRXII-UHFFFAOYSA-N 1 1 386.496 2.858 50 0 GFAAMO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(-c2ccccc2)nn1 ZINC000072168446 211079850 /nfs/dbraw/zinc/07/98/50/211079850.db2.gz FMXZTOBFJVPSHX-HXUWFJFHSA-N 1 1 379.439 2.973 50 0 GFAAMO Cc1c(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000072156419 211078150 /nfs/dbraw/zinc/07/81/50/211078150.db2.gz FUCVHXNZMPVBGX-VLCRHTCISA-N 1 1 380.492 2.519 50 0 GFAAMO CCCN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072133478 211074344 /nfs/dbraw/zinc/07/43/44/211074344.db2.gz PRRBZISASFBUDM-QFIPXVFZSA-N 1 1 393.531 2.877 50 0 GFAAMO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NS(=O)(=O)c3cn(C)cn3)C2)cc1 ZINC000072128199 211071593 /nfs/dbraw/zinc/07/15/93/211071593.db2.gz ZHHMUYIEABLXKI-IBGZPJMESA-N 1 1 390.553 2.562 50 0 GFAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NS(=O)(=O)c3cn(C)cn3)C2)cc1 ZINC000072128199 211071598 /nfs/dbraw/zinc/07/15/98/211071598.db2.gz ZHHMUYIEABLXKI-IBGZPJMESA-N 1 1 390.553 2.562 50 0 GFAAMO CCc1cccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000072117602 211070214 /nfs/dbraw/zinc/07/02/14/211070214.db2.gz NNXUITJIFBEAHB-UHFFFAOYSA-N 1 1 380.496 2.993 50 0 GFAAMO COc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)cn1 ZINC000071754795 211058124 /nfs/dbraw/zinc/05/81/24/211058124.db2.gz UJMUOZLDVQNUFC-IBGZPJMESA-N 1 1 386.471 2.997 50 0 GFAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071760150 211058020 /nfs/dbraw/zinc/05/80/20/211058020.db2.gz ONNMRQKTFHFIFJ-SFHVURJKSA-N 1 1 399.564 2.531 50 0 GFAAMO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)o1 ZINC000071748077 211052765 /nfs/dbraw/zinc/05/27/65/211052765.db2.gz VUVVFMYEFPHXDI-SFHVURJKSA-N 1 1 387.524 2.659 50 0 GFAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c1C ZINC000071750581 211056125 /nfs/dbraw/zinc/05/61/25/211056125.db2.gz QRWRPGCRQOCGCB-IBGZPJMESA-N 1 1 384.524 2.562 50 0 GFAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c1C ZINC000071750581 211056129 /nfs/dbraw/zinc/05/61/29/211056129.db2.gz QRWRPGCRQOCGCB-IBGZPJMESA-N 1 1 384.524 2.562 50 0 GFAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000071282532 211042231 /nfs/dbraw/zinc/04/22/31/211042231.db2.gz YCMMFUQEQABNTP-MRXNPFEDSA-N 1 1 399.516 2.867 50 0 GFAAMO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](CCCn2cccn2)CCO3)n1 ZINC000067804539 211023274 /nfs/dbraw/zinc/02/32/74/211023274.db2.gz DCKISIASTGXZSN-UHFFFAOYSA-N 1 1 379.464 2.947 50 0 GFAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@@H+](C)Cc3cnccn3)C2=O)cc1 ZINC000067921984 211029452 /nfs/dbraw/zinc/02/94/52/211029452.db2.gz MJZRNQZAUMTODN-QFIPXVFZSA-N 1 1 382.508 2.586 50 0 GFAAMO C[N@@H+]1CCNC(=O)C12CCN(c1ccnc3c1cccc3C(F)(F)F)CC2 ZINC000067881144 211027410 /nfs/dbraw/zinc/02/74/10/211027410.db2.gz XEAMHGYPPGJKPI-UHFFFAOYSA-N 1 1 378.398 2.654 50 0 GFAAMO C[N@H+]1CCNC(=O)C12CCN(c1ccnc3c1cccc3C(F)(F)F)CC2 ZINC000067881144 211027412 /nfs/dbraw/zinc/02/74/12/211027412.db2.gz XEAMHGYPPGJKPI-UHFFFAOYSA-N 1 1 378.398 2.654 50 0 GFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)C1 ZINC000067773329 211020776 /nfs/dbraw/zinc/02/07/76/211020776.db2.gz PYBZYRPWPKPPMT-KRWDZBQOSA-N 1 1 377.448 2.513 50 0 GFAAMO Cc1nc2ncccn2c1C(=O)N(C)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000067742648 211018539 /nfs/dbraw/zinc/01/85/39/211018539.db2.gz VTDQIVSYQQWAFA-LJQANCHMSA-N 1 1 389.503 2.742 50 0 GFAAMO CN1CC[N@@H+](C[C@@H]2CCOC2)CC12CCN(C(=O)CCC1CCCC1)CC2 ZINC000067458096 211009701 /nfs/dbraw/zinc/00/97/01/211009701.db2.gz YLSXIWQJVAZXHX-FQEVSTJZSA-N 1 1 377.573 2.602 50 0 GFAAMO O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000067674929 211015464 /nfs/dbraw/zinc/01/54/64/211015464.db2.gz VRNRBPUVRHNYNJ-OAQYLSRUSA-N 1 1 391.515 2.856 50 0 GFAAMO CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000067675165 211014955 /nfs/dbraw/zinc/01/49/55/211014955.db2.gz WLCHDUXXRXFUAS-QGZVFWFLSA-N 1 1 386.471 2.530 50 0 GFAAMO O=C(NCCc1c[nH]cn1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067672933 211015070 /nfs/dbraw/zinc/01/50/70/211015070.db2.gz LXXYHMTYOMPLRV-UHFFFAOYSA-N 1 1 393.491 2.825 50 0 GFAAMO C[NH+]1CCC(N2CCN(Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 ZINC000067513593 211011566 /nfs/dbraw/zinc/01/15/66/211011566.db2.gz NXYQNOKTCVWXML-QFIPXVFZSA-N 1 1 383.536 2.909 50 0 GFAAMO Cc1noc2nc(C)cc(C(=O)NC[C@H](C)[NH+]3CCN(c4ccccc4)CC3)c12 ZINC000032726197 210581551 /nfs/dbraw/zinc/58/15/51/210581551.db2.gz LNKSGECZYQWPDL-INIZCTEOSA-N 1 1 393.491 2.780 50 0 GFAAMO COc1ccc(NC(=O)[C@H]([NH2+]CCNC(C)=O)c2ccccc2)cc1Cl ZINC000023866160 210456321 /nfs/dbraw/zinc/45/63/21/210456321.db2.gz MZIIGBLOHQIBJE-GOSISDBHSA-N 1 1 375.856 2.754 50 0 GFAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)Cc1ccccc1 ZINC000021647091 210387812 /nfs/dbraw/zinc/38/78/12/210387812.db2.gz VWQHUDUNTBHHFA-OAQYLSRUSA-N 1 1 392.503 2.859 50 0 GFAAMO CCOC(=O)c1c2c(sc1NC(=O)N1CC[NH+](CC)CC1)COC(C)(C)C2 ZINC000021147111 210378312 /nfs/dbraw/zinc/37/83/12/210378312.db2.gz GMOXIPZKCJENHF-UHFFFAOYSA-N 1 1 395.525 2.946 50 0 GFAAMO Cc1ccc(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)cc1C ZINC000020734021 210358494 /nfs/dbraw/zinc/35/84/94/210358494.db2.gz HCBLLWFUXLGNFD-UHFFFAOYSA-N 1 1 390.597 2.729 50 0 GFAAMO COCc1cc(CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)ccc1OC ZINC000020451270 210336877 /nfs/dbraw/zinc/33/68/77/210336877.db2.gz WWHHXFYDQMUALG-FQEVSTJZSA-N 1 1 390.549 2.972 50 0 GFAAMO COCc1cc(CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)ccc1OC ZINC000020451270 210336881 /nfs/dbraw/zinc/33/68/81/210336881.db2.gz WWHHXFYDQMUALG-FQEVSTJZSA-N 1 1 390.549 2.972 50 0 GFAAMO CCOC(=O)C1C(C[NH2+]CCc2ccccc2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020213784 210324413 /nfs/dbraw/zinc/32/44/13/210324413.db2.gz KPMCSBYNCXUGRK-OAQYLSRUSA-N 1 1 393.487 2.998 50 0 GFAAMO O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000019835080 210303449 /nfs/dbraw/zinc/30/34/49/210303449.db2.gz IHZHFHGHZRHZBT-UHFFFAOYSA-N 1 1 382.464 2.783 50 0 GFAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000019835106 210302597 /nfs/dbraw/zinc/30/25/97/210302597.db2.gz TVGUKTCMRZYIMX-UHFFFAOYSA-N 1 1 385.439 2.530 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4nonc43)C[C@@H]2CCO)cc1C ZINC000019794959 210298111 /nfs/dbraw/zinc/29/81/11/210298111.db2.gz NJZVXFRVJAIBON-IBGZPJMESA-N 1 1 396.491 2.609 50 0 GFAAMO COc1ccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@@H]2CCO)cc1C ZINC000019794959 210298113 /nfs/dbraw/zinc/29/81/13/210298113.db2.gz NJZVXFRVJAIBON-IBGZPJMESA-N 1 1 396.491 2.609 50 0 GFAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@@H]2CCO)cc1C ZINC000019794959 210298116 /nfs/dbraw/zinc/29/81/16/210298116.db2.gz NJZVXFRVJAIBON-IBGZPJMESA-N 1 1 396.491 2.609 50 0 GFAAMO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@@H+]([C@@H]1CCSC1)C2 ZINC000019745977 210290358 /nfs/dbraw/zinc/29/03/58/210290358.db2.gz UHQHRHRVPXHPMC-QGZVFWFLSA-N 1 1 399.564 2.728 50 0 GFAAMO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@H+]([C@@H]1CCSC1)C2 ZINC000019745977 210290363 /nfs/dbraw/zinc/29/03/63/210290363.db2.gz UHQHRHRVPXHPMC-QGZVFWFLSA-N 1 1 399.564 2.728 50 0 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1 1 387.568 2.691 50 0 GFAAMO COC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067285813 211006195 /nfs/dbraw/zinc/00/61/95/211006195.db2.gz OLWPWAHIASSWSY-KRWDZBQOSA-N 1 1 377.872 2.997 50 0 GFAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCC(C)CC3)C2C(=O)OC)cc1 ZINC000067287148 211005961 /nfs/dbraw/zinc/00/59/61/211005961.db2.gz VWTYLPBJDXELPK-LJQANCHMSA-N 1 1 387.480 2.598 50 0 GFAAMO COc1cc(/C=C\C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC000041865200 210801151 /nfs/dbraw/zinc/80/11/51/210801151.db2.gz MGRPKLNOCNAVNK-CMKSSICZSA-N 1 1 376.497 2.721 50 0 GFAAMO COc1cccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000020685532 210355934 /nfs/dbraw/zinc/35/59/34/210355934.db2.gz DSUGZRHVPIHJBW-UHFFFAOYSA-N 1 1 384.480 2.847 50 0 GFAAMO Cc1c(C)n(Cc2ccccn2)c2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000020650074 210354953 /nfs/dbraw/zinc/35/49/53/210354953.db2.gz LOQMKPYZGOWHGL-UHFFFAOYSA-N 1 1 380.496 2.626 50 0 GFAAMO Cc1[nH+]ccn1[C@@H](C)c1nc(-c2c(C)ncc3c2CCN(C(=O)C2CC2)C3)no1 ZINC000020295515 210326435 /nfs/dbraw/zinc/32/64/35/210326435.db2.gz GWVBSMMITUXUOL-ZDUSSCGKSA-N 1 1 392.463 2.849 50 0 GFAAMO CC[NH+]1CCN(C2(C(=O)N(C)CC[C@@H]3CCCCO3)Cc3ccccc3C2)CC1 ZINC000019740984 210290315 /nfs/dbraw/zinc/29/03/15/210290315.db2.gz XLZVUQOSSMSELJ-QFIPXVFZSA-N 1 1 399.579 2.579 50 0 GFAAMO CC(=O)N1CCC(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000011932767 221137701 /nfs/dbraw/zinc/13/77/01/221137701.db2.gz VAUBCYFCZHBHTF-NRFANRHFSA-N 1 1 385.552 2.658 50 0 GFAAMO CC[C@H](O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)CC1 ZINC000011934827 221138366 /nfs/dbraw/zinc/13/83/66/221138366.db2.gz BVAPORCNPDHGCY-HNNXBMFYSA-N 1 1 391.468 2.745 50 0 GFAAMO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000065362835 136163446 /nfs/dbraw/zinc/16/34/46/136163446.db2.gz XFSICWDVSZPQKR-UHFFFAOYSA-N 1 1 384.484 2.522 50 0 GFAAMO [NH3+]CCCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072161700 136167371 /nfs/dbraw/zinc/16/73/71/136167371.db2.gz 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NC(=O)[C@@H]1CN(c2nc(-c3cccs3)nc3sc4c(c32)CCCC4)CC[NH2+]1 ZINC000012999266 136200766 /nfs/dbraw/zinc/20/07/66/136200766.db2.gz SXWYXHUOINXLLF-LBPRGKRZSA-N 1 1 399.545 2.562 50 0 GFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)C1 ZINC000246900148 527814006 /nfs/dbraw/zinc/81/40/06/527814006.db2.gz KEOPJKMORRQBPG-FNHZYXHNSA-N 1 1 377.916 2.660 50 0 GFAAMO CC(C)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426412280 529120412 /nfs/dbraw/zinc/12/04/12/529120412.db2.gz MJQKEBLVKWLLOX-OAQYLSRUSA-N 1 1 393.478 2.694 50 0 GFAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000012996061 551108487 /nfs/dbraw/zinc/10/84/87/551108487.db2.gz MVGPXZVEBLWTSL-UHFFFAOYSA-N 1 1 380.897 2.651 50 0 GFAAMO CCC(CC)[C@@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)[NH+]1CCOCC1 ZINC000048262783 570224918 /nfs/dbraw/zinc/22/49/18/570224918.db2.gz UGQDUJFFCJYXEE-GOSISDBHSA-N 1 1 386.500 2.526 50 0 GFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C(=O)c2ccsc2)CC1 ZINC000048355683 570243972 /nfs/dbraw/zinc/24/39/72/570243972.db2.gz KVFDSAKGIBYHST-INIZCTEOSA-N 1 1 377.554 2.981 50 0 GFAAMO COc1cc(C[N@@H+]2CCN(Cc3cccc(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104396714 570258037 /nfs/dbraw/zinc/25/80/37/570258037.db2.gz DCSAOWGOFPZAEE-HXUWFJFHSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1cc(C[N@H+]2CCN(Cc3cccc(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104396714 570258039 /nfs/dbraw/zinc/25/80/39/570258039.db2.gz DCSAOWGOFPZAEE-HXUWFJFHSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1cc(CN2CC[N@H+](Cc3cccc(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104396714 570258040 /nfs/dbraw/zinc/25/80/40/570258040.db2.gz DCSAOWGOFPZAEE-HXUWFJFHSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(F)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104396714 570258042 /nfs/dbraw/zinc/25/80/42/570258042.db2.gz DCSAOWGOFPZAEE-HXUWFJFHSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc1C ZINC000106708303 570260986 /nfs/dbraw/zinc/26/09/86/570260986.db2.gz GLWAUNYLBRVONT-OAQYLSRUSA-N 1 1 386.540 2.850 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc1C ZINC000106708303 570260988 /nfs/dbraw/zinc/26/09/88/570260988.db2.gz GLWAUNYLBRVONT-OAQYLSRUSA-N 1 1 386.540 2.850 50 0 GFAAMO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C2CCOCC2)C3)c1C ZINC000071890362 570275315 /nfs/dbraw/zinc/27/53/15/570275315.db2.gz MYZSEWOTIACDRJ-OAHLLOKOSA-N 1 1 397.523 2.641 50 0 GFAAMO CC1CCN(C(=O)COc2ccc(CN3C[C@H]4CC[C@@H](C3)[N@@H+](C)C4)cc2)CC1 ZINC000216346199 570299364 /nfs/dbraw/zinc/29/93/64/570299364.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 1 1 385.552 2.850 50 0 GFAAMO CC1CCN(C(=O)COc2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)N(C)C4)cc2)CC1 ZINC000216346199 570299365 /nfs/dbraw/zinc/29/93/65/570299365.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 1 1 385.552 2.850 50 0 GFAAMO CC1CCN(C(=O)COc2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)N(C)C4)cc2)CC1 ZINC000216346199 570299366 /nfs/dbraw/zinc/29/93/66/570299366.db2.gz BHQSDRRQMAQKAI-SFTDATJTSA-N 1 1 385.552 2.850 50 0 GFAAMO COC(=O)C1C(CN2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000033402690 570307359 /nfs/dbraw/zinc/30/73/59/570307359.db2.gz DGGVEHMWNAHTIB-HXUWFJFHSA-N 1 1 395.434 2.665 50 0 GFAAMO Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000022381092 570315247 /nfs/dbraw/zinc/31/52/47/570315247.db2.gz HTOOKRYDJFDLMU-INIZCTEOSA-N 1 1 375.494 2.679 50 0 GFAAMO c1cc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851588 570331720 /nfs/dbraw/zinc/33/17/20/570331720.db2.gz CBWPKQRMQGJTMP-NRFANRHFSA-N 1 1 394.519 2.593 50 0 GFAAMO c1cc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)ccn1 ZINC000022851588 570331723 /nfs/dbraw/zinc/33/17/23/570331723.db2.gz CBWPKQRMQGJTMP-NRFANRHFSA-N 1 1 394.519 2.593 50 0 GFAAMO CCOc1cc(CNC[C@@H]2CCC[N@@H+]2CC)ccc1OCC(=O)NC(C)(C)C ZINC000022936351 570338742 /nfs/dbraw/zinc/33/87/42/570338742.db2.gz WOGCOKKCXWCFLL-SFHVURJKSA-N 1 1 391.556 2.953 50 0 GFAAMO CCOc1cc(CNC[C@@H]2CCC[N@H+]2CC)ccc1OCC(=O)NC(C)(C)C ZINC000022936351 570338744 /nfs/dbraw/zinc/33/87/44/570338744.db2.gz WOGCOKKCXWCFLL-SFHVURJKSA-N 1 1 391.556 2.953 50 0 GFAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](N4CCC(CO)CC4)C3)CC2)c1 ZINC000023374534 570358474 /nfs/dbraw/zinc/35/84/74/570358474.db2.gz IXQMMZHSJRRFCV-QFIPXVFZSA-N 1 1 387.568 2.833 50 0 GFAAMO COc1cccc(N2CCC(N3CCC[C@H]([NH+]4CCC(CO)CC4)C3)CC2)c1 ZINC000023374534 570358475 /nfs/dbraw/zinc/35/84/75/570358475.db2.gz IXQMMZHSJRRFCV-QFIPXVFZSA-N 1 1 387.568 2.833 50 0 GFAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000024842351 570395753 /nfs/dbraw/zinc/39/57/53/570395753.db2.gz XMIXVOBGYRPNLZ-HNNXBMFYSA-N 1 1 385.439 2.900 50 0 GFAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000024842351 570395757 /nfs/dbraw/zinc/39/57/57/570395757.db2.gz XMIXVOBGYRPNLZ-HNNXBMFYSA-N 1 1 385.439 2.900 50 0 GFAAMO COc1ccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)ncn2)c(C)c1 ZINC000035598145 570400652 /nfs/dbraw/zinc/40/06/52/570400652.db2.gz XXTBACSCDOOQOC-UHFFFAOYSA-N 1 1 381.440 2.521 50 0 GFAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc(OC)c1OC ZINC000004745196 570401816 /nfs/dbraw/zinc/40/18/16/570401816.db2.gz RZYNIPPEJBIZJE-QGZVFWFLSA-N 1 1 376.497 2.937 50 0 GFAAMO CCOc1ccccc1[C@@](N)(C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C(F)(F)F ZINC000221896740 570402956 /nfs/dbraw/zinc/40/29/56/570402956.db2.gz DDXAFYPESUOTGV-RDTXWAMCSA-N 1 1 387.446 2.650 50 0 GFAAMO COc1ccccc1NC(=O)N1CC[NH+](CCn2c(C)nc3cccnc32)CC1 ZINC000033282001 570405608 /nfs/dbraw/zinc/40/56/08/570405608.db2.gz KAJMGYNJNDUOHJ-UHFFFAOYSA-N 1 1 394.479 2.598 50 0 GFAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 ZINC000025407814 570413149 /nfs/dbraw/zinc/41/31/49/570413149.db2.gz ONCQBWDHQGMOGV-GJZGRUSLSA-N 1 1 391.537 2.817 50 0 GFAAMO COc1cc(C(C)=O)ccc1OCC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025631157 570417405 /nfs/dbraw/zinc/41/74/05/570417405.db2.gz MCWTZNGPKOMEAD-INIZCTEOSA-N 1 1 396.487 2.840 50 0 GFAAMO CCCC[C@H]1C[N@H+](CCNC(=O)c2cnn3cccnc23)Cc2ccccc2O1 ZINC000011783647 570434729 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C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000046056897 571017062 /nfs/dbraw/zinc/01/70/62/571017062.db2.gz IPCLWZQNRUZLNQ-XLIONFOSSA-N 1 1 377.504 2.977 50 0 GFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 ZINC000012196669 654500028 /nfs/dbraw/zinc/50/00/28/654500028.db2.gz CFYKPAMZRTYWHH-NSHDSACASA-N 1 1 388.898 2.711 50 0 GFAAMO O=C1N(Cc2cccnc2)CCC[C@@]12CC[N@H+](C1CSCCSC1)C2 ZINC000012308377 654500427 /nfs/dbraw/zinc/50/04/27/654500427.db2.gz QQZBEEJJUXFTBE-IBGZPJMESA-N 1 1 377.579 2.745 50 0 GFAAMO Brc1cccc(C2([NH2+]Cc3nnnn3C3CC3)CCOCC2)c1 ZINC000055055652 654768243 /nfs/dbraw/zinc/76/82/43/654768243.db2.gz CMROASVDAHQGIU-UHFFFAOYSA-N 1 1 378.274 2.566 50 0 GFAAMO CCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019363087 210244969 /nfs/dbraw/zinc/24/49/69/210244969.db2.gz KVLOLOSNFVZCAI-HXUWFJFHSA-N 1 1 398.503 2.535 50 0 GFAAMO CCc1oc(C(N)=O)cc1C[N@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000426505878 231231990 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377.488 2.692 50 0 GFAAMO COc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795058 210392776 /nfs/dbraw/zinc/39/27/76/210392776.db2.gz RBGPTAFCCWHXEH-UHFFFAOYSA-N 1 1 396.495 2.748 50 0 GFAAMO Cc1cccc(C)c1N1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000020494458 210342266 /nfs/dbraw/zinc/34/22/66/210342266.db2.gz AVGZRHVGYNGDNY-HXUWFJFHSA-N 1 1 377.488 2.753 50 0 GFAAMO OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[N@H+]1CCc1ccccc1 ZINC000020206484 210322704 /nfs/dbraw/zinc/32/27/04/210322704.db2.gz UHWOEHCIQOUCFD-HSZRJFAPSA-N 1 1 390.531 2.984 50 0 GFAAMO C[NH+]1CCN(CCC(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CC1 ZINC000019839039 210303161 /nfs/dbraw/zinc/30/31/61/210303161.db2.gz GJIPJHMBIAAZKX-GOSISDBHSA-N 1 1 379.495 2.774 50 0 GFAAMO CN1CC[NH+](CCOCCOc2ccc(Br)cc2Cl)CC1 ZINC000019792512 210297026 /nfs/dbraw/zinc/29/70/26/210297026.db2.gz QAPZAHBJVOOYBD-UHFFFAOYSA-N 1 1 377.710 2.745 50 0 GFAAMO O=C(C1CC1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000011933857 221138059 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C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1nccn1C ZINC000183355817 552306898 /nfs/dbraw/zinc/30/68/98/552306898.db2.gz YVXUWFJIGSTGEU-ZDUSSCGKSA-N 1 1 379.302 2.870 50 0 GFAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cccc(Nc3ncccn3)c2)C[C@H](C)O1 ZINC000048288847 570228530 /nfs/dbraw/zinc/22/85/30/570228530.db2.gz RVUYQVBEEYAATM-QKLQHJQFSA-N 1 1 395.507 2.934 50 0 GFAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cccc(Nc3ncccn3)c2)C[C@H](C)O1 ZINC000048288847 570228532 /nfs/dbraw/zinc/22/85/32/570228532.db2.gz RVUYQVBEEYAATM-QKLQHJQFSA-N 1 1 395.507 2.934 50 0 GFAAMO C[C@H]1C[C@H]1C(=O)NCCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048355564 570243918 /nfs/dbraw/zinc/24/39/18/570243918.db2.gz IIQJQXAGHGWZPW-TWFHAPMSSA-N 1 1 385.552 2.943 50 0 GFAAMO Cc1[nH+]ccn1CC1CCN(C(=O)Nc2cc(F)c3c(c2)NC(=O)CO3)CC1 ZINC000097553172 570246098 /nfs/dbraw/zinc/24/60/98/570246098.db2.gz DLFFHCUDIBFKEM-UHFFFAOYSA-N 1 1 387.415 2.606 50 0 GFAAMO COc1cc(/C=C/CN2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)ccc1O 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380.496 2.516 50 0 GFAAMO Cc1cc(C)n(CC[N@H+](C)Cc2c(C(=O)N3CCCC3)nc3ccccn32)n1 ZINC000023129177 570345342 /nfs/dbraw/zinc/34/53/42/570345342.db2.gz SONNSXVLVZAJRM-UHFFFAOYSA-N 1 1 380.496 2.516 50 0 GFAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035485457 570374744 /nfs/dbraw/zinc/37/47/44/570374744.db2.gz CMYPWYFYCZTSCH-NDXORKPFSA-N 1 1 379.504 2.719 50 0 GFAAMO COc1ccc(F)c(F)c1C(=O)N1CCCC[C@@H]1CC[NH+]1CCN(C)CC1 ZINC000219830049 570376116 /nfs/dbraw/zinc/37/61/16/570376116.db2.gz PYHPUQSBWISHFD-OAHLLOKOSA-N 1 1 381.467 2.606 50 0 GFAAMO O=C(CCn1cnc2sccc2c1=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000026357859 570424726 /nfs/dbraw/zinc/42/47/26/570424726.db2.gz UZZXRBYUIRQTKU-UHFFFAOYSA-N 1 1 396.516 2.583 50 0 GFAAMO CC(C)(C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c4ccccc4oc3=O)C2)C1 ZINC000011879660 570442786 /nfs/dbraw/zinc/44/27/86/570442786.db2.gz BLWNQIKAJAGKHK-QFIPXVFZSA-N 1 1 385.508 2.955 50 0 GFAAMO O=C(CN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1)NC[C@H]1CCCO1 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ZINC000012075645 570605262 /nfs/dbraw/zinc/60/52/62/570605262.db2.gz BORJYPJJAFGWRY-JOCHJYFZSA-N 1 1 393.531 2.857 50 0 GFAAMO CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(OC)cc2)CC1 ZINC000036310993 570609335 /nfs/dbraw/zinc/60/93/35/570609335.db2.gz QQJZANGBLWRBBN-IBGZPJMESA-N 1 1 388.512 2.540 50 0 GFAAMO COC(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 ZINC000225737462 570611266 /nfs/dbraw/zinc/61/12/66/570611266.db2.gz OJKFHACFVBPXJE-SFHVURJKSA-N 1 1 386.473 2.907 50 0 GFAAMO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000006809547 570611841 /nfs/dbraw/zinc/61/18/41/570611841.db2.gz COIJUSSXEUXOIN-LJQANCHMSA-N 1 1 394.924 2.816 50 0 GFAAMO CC(C)(C)C(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000036360909 570643504 /nfs/dbraw/zinc/64/35/04/570643504.db2.gz LYALESFSGPFWIH-UHFFFAOYSA-N 1 1 398.503 2.952 50 0 GFAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000227448454 570660490 /nfs/dbraw/zinc/66/04/90/570660490.db2.gz 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Cc1ccsc1-c1nnc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000065214503 570733931 /nfs/dbraw/zinc/73/39/31/570733931.db2.gz XBDVSRFWTFHECG-UHFFFAOYSA-N 1 1 382.489 2.993 50 0 GFAAMO CC(=O)Nc1ccc(CNC(=O)C[NH2+]Cc2cc(C)oc2C(F)(F)F)cc1 ZINC000065531258 570772236 /nfs/dbraw/zinc/77/22/36/570772236.db2.gz CGSMKCIETRPFEW-UHFFFAOYSA-N 1 1 383.370 2.971 50 0 GFAAMO COc1ccc(-c2nccn3cc(C(=O)N4CC[NH+](C(C)C)CC4)nc23)cc1 ZINC000065274438 570776960 /nfs/dbraw/zinc/77/69/60/570776960.db2.gz HKRNKRPQGLJNGE-UHFFFAOYSA-N 1 1 379.464 2.571 50 0 GFAAMO CCN(C)C(=O)c1ccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)c2)nc1 ZINC000534632968 570910991 /nfs/dbraw/zinc/91/09/91/570910991.db2.gz CNBJTVONUQLUJR-IBGZPJMESA-N 1 1 380.492 2.617 50 0 GFAAMO Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000017045840 570925026 /nfs/dbraw/zinc/92/50/26/570925026.db2.gz SFAWAHLJXJAUHH-LEWJYISDSA-N 1 1 377.488 2.947 50 0 GFAAMO CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cccc(C)c1 ZINC000017112363 570927910 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CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000018250368 221391783 /nfs/dbraw/zinc/39/17/83/221391783.db2.gz CKOJXPDTAMPVJN-AWEZNQCLSA-N 1 1 398.244 2.655 50 0 GFAAMO COc1ccc(OC)c(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000019773787 221452668 /nfs/dbraw/zinc/45/26/68/221452668.db2.gz YESGYCDXEGRRIY-KRWDZBQOSA-N 1 1 376.522 2.834 50 0 GFAAMO COc1ccc(OC)c(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000019773787 221452670 /nfs/dbraw/zinc/45/26/70/221452670.db2.gz YESGYCDXEGRRIY-KRWDZBQOSA-N 1 1 376.522 2.834 50 0 GFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H]3COc4ccccc4C3)CC2)c1C ZINC000059560455 136155671 /nfs/dbraw/zinc/15/56/71/136155671.db2.gz WMYQLWSEXZIOBZ-NRFANRHFSA-N 1 1 393.531 2.793 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)c(C)c1C ZINC000072424189 136169797 /nfs/dbraw/zinc/16/97/97/136169797.db2.gz PMBDOTLUMQPOBU-SFHVURJKSA-N 1 1 395.507 2.657 50 0 GFAAMO Cc1cc(N2CCC(NC(=O)C[C@H]3OCCc4ccsc43)CC2)nc(C)[nH+]1 ZINC000089599372 136175673 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387.524 2.855 50 0 GFAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)s3)CC2)C1 ZINC000067740609 222158139 /nfs/dbraw/zinc/15/81/39/222158139.db2.gz ZWXNLLXSRQFKFP-HNNXBMFYSA-N 1 1 399.988 2.841 50 0 GFAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000071736483 222187198 /nfs/dbraw/zinc/18/71/98/222187198.db2.gz JRFRNRKGBWNRCY-IBGZPJMESA-N 1 1 398.551 2.591 50 0 GFAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccs3)C2)cc1 ZINC000071759576 222194590 /nfs/dbraw/zinc/19/45/90/222194590.db2.gz QMPYOAQLCOITNJ-HNNXBMFYSA-N 1 1 378.519 2.751 50 0 GFAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccs3)C2)cc1 ZINC000071759576 222194594 /nfs/dbraw/zinc/19/45/94/222194594.db2.gz QMPYOAQLCOITNJ-HNNXBMFYSA-N 1 1 378.519 2.751 50 0 GFAAMO CCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071763419 222195471 /nfs/dbraw/zinc/19/54/71/222195471.db2.gz DAVXDOMVGCJVIJ-IBGZPJMESA-N 1 1 398.551 2.543 50 0 GFAAMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccco3)CC2)C1 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381.436 2.611 50 0 GFAAMO C[C@H](CN1CCc2ccccc2C1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065451663 222130003 /nfs/dbraw/zinc/13/00/03/222130003.db2.gz YIXSSVVSYPCDED-CQSZACIVSA-N 1 1 380.517 2.723 50 0 GFAAMO Cc1ccccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071750673 222190061 /nfs/dbraw/zinc/19/00/61/222190061.db2.gz VVQBRGXFDOIRTH-LJQANCHMSA-N 1 1 383.536 2.934 50 0 GFAAMO CC(C)N(CCO)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067587446 222150024 /nfs/dbraw/zinc/15/00/24/222150024.db2.gz QTXVFPRELGWOHU-UHFFFAOYSA-N 1 1 385.508 2.972 50 0 GFAAMO Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(F)c2C)[nH+]c(C)n1 ZINC000067621884 222151230 /nfs/dbraw/zinc/15/12/30/222151230.db2.gz QAGKUYHUEJOAOJ-UHFFFAOYSA-N 1 1 383.431 2.960 50 0 GFAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(C)cc3C)CC2)C1 ZINC000067803030 222159508 /nfs/dbraw/zinc/15/95/08/222159508.db2.gz OXKGTDKENXZWSX-NRFANRHFSA-N 1 1 387.568 2.742 50 0 GFAAMO COc1ccccc1OCc1cc(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)n[nH]1 ZINC000067789667 222160189 /nfs/dbraw/zinc/16/01/89/222160189.db2.gz JNZUNTUYMWJXGA-HNNXBMFYSA-N 1 1 384.480 2.696 50 0 GFAAMO COc1ccccc1OCc1cc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)[nH]n1 ZINC000067789667 222160194 /nfs/dbraw/zinc/16/01/94/222160194.db2.gz JNZUNTUYMWJXGA-HNNXBMFYSA-N 1 1 384.480 2.696 50 0 GFAAMO COc1ccccc1OCc1cc(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)[nH]n1 ZINC000067789667 222160198 /nfs/dbraw/zinc/16/01/98/222160198.db2.gz JNZUNTUYMWJXGA-HNNXBMFYSA-N 1 1 384.480 2.696 50 0 GFAAMO CCn1c(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)CCOC)C3)nc2ccccc21 ZINC000067947328 222169573 /nfs/dbraw/zinc/16/95/73/222169573.db2.gz PUNHZFLBEFHIQB-JOCHJYFZSA-N 1 1 384.524 2.907 50 0 GFAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC(F)CC1 ZINC000071752674 222191093 /nfs/dbraw/zinc/19/10/93/222191093.db2.gz PQFWWDWNZLMSDI-LJQANCHMSA-N 1 1 388.531 2.719 50 0 GFAAMO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000069977105 222175771 /nfs/dbraw/zinc/17/57/71/222175771.db2.gz VTIDRIAPSHHDBK-UHFFFAOYSA-N 1 1 390.491 2.667 50 0 GFAAMO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000069977105 222175776 /nfs/dbraw/zinc/17/57/76/222175776.db2.gz VTIDRIAPSHHDBK-UHFFFAOYSA-N 1 1 390.491 2.667 50 0 GFAAMO Cc1csc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071761347 222193538 /nfs/dbraw/zinc/19/35/38/222193538.db2.gz NFYAJHMTKBEDMS-QGZVFWFLSA-N 1 1 376.570 2.750 50 0 GFAAMO O=C(Nc1ccc(F)cc1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072116030 222206854 /nfs/dbraw/zinc/20/68/54/222206854.db2.gz POCLJZQPPUJNQP-UHFFFAOYSA-N 1 1 388.422 2.709 50 0 GFAAMO O=C(C[C@H]1CCC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072428081 222259042 /nfs/dbraw/zinc/25/90/42/222259042.db2.gz JNEUAQLUPXKCFH-HXUWFJFHSA-N 1 1 377.488 2.589 50 0 GFAAMO COc1cccc(C[N@H+]2CCC[C@H](Nc3cncc(C(=O)N4CCCC4)n3)C2)c1 ZINC000072426966 222259245 /nfs/dbraw/zinc/25/92/45/222259245.db2.gz OXEYTYPABQZKQW-SFHVURJKSA-N 1 1 395.507 2.798 50 0 GFAAMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2=O)c1OC ZINC000072440685 222261499 /nfs/dbraw/zinc/26/14/99/222261499.db2.gz QCAQJEVIPLLEJA-QFIPXVFZSA-N 1 1 388.508 2.697 50 0 GFAAMO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000095500561 222333739 /nfs/dbraw/zinc/33/37/39/222333739.db2.gz WPRCCOJBRFHHCT-FQEVSTJZSA-N 1 1 395.551 2.639 50 0 GFAAMO Cc1noc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095508022 222340372 /nfs/dbraw/zinc/34/03/72/222340372.db2.gz UPPVEKHLOLTHKQ-CQSZACIVSA-N 1 1 378.423 2.965 50 0 GFAAMO Cc1noc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095508022 222340375 /nfs/dbraw/zinc/34/03/75/222340375.db2.gz UPPVEKHLOLTHKQ-CQSZACIVSA-N 1 1 378.423 2.965 50 0 GFAAMO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(COCc3ccc(F)cc3)CC2)cc1 ZINC000077191545 222275542 /nfs/dbraw/zinc/27/55/42/222275542.db2.gz CTYXBXKLKBBAOI-UHFFFAOYSA-N 1 1 399.466 2.792 50 0 GFAAMO COC[C@H](C)n1c(CCCC(=O)N2CC[N@@H+](C)C(C)(C)C2)nc2cccnc21 ZINC000077485534 222282792 /nfs/dbraw/zinc/28/27/92/222282792.db2.gz YBMLEUMJAPZXDE-INIZCTEOSA-N 1 1 387.528 2.514 50 0 GFAAMO CCn1ccnc1C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518425 222344058 /nfs/dbraw/zinc/34/40/58/222344058.db2.gz NZIRAEYOOSWPOG-OAQYLSRUSA-N 1 1 396.535 2.900 50 0 GFAAMO CCn1ccnc1C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518425 222344061 /nfs/dbraw/zinc/34/40/61/222344061.db2.gz NZIRAEYOOSWPOG-OAQYLSRUSA-N 1 1 396.535 2.900 50 0 GFAAMO COCCn1cncc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC000095519041 222344313 /nfs/dbraw/zinc/34/43/13/222344313.db2.gz YXXICICOSANOHV-MRXNPFEDSA-N 1 1 390.915 2.825 50 0 GFAAMO COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000096136429 222385665 /nfs/dbraw/zinc/38/56/65/222385665.db2.gz XFLXRWOLBOWKBG-OAHLLOKOSA-N 1 1 380.920 2.840 50 0 GFAAMO COc1cc(Cl)c(C)cc1NC(=O)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000096132236 533929440 /nfs/dbraw/zinc/92/94/40/533929440.db2.gz MMOFPIQEQXJEHI-HNNXBMFYSA-N 1 1 381.904 2.968 50 0 GFAAMO O=C(CCc1ccccc1Br)NCc1cn(-c2cc[nH+]cc2)nn1 ZINC000390830046 563523396 /nfs/dbraw/zinc/52/33/96/563523396.db2.gz IKXSONGSHCTOFP-UHFFFAOYSA-N 1 1 386.253 2.674 50 0 GFAAMO Cc1nc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3CCCn3cccn3)s2)n[nH]1 ZINC000019866619 570226747 /nfs/dbraw/zinc/22/67/47/570226747.db2.gz HFLACYKLOVKHRR-AWEZNQCLSA-N 1 1 385.497 2.851 50 0 GFAAMO Cc1nnc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CCCn3cccn3)s2)[nH]1 ZINC000019866619 570226749 /nfs/dbraw/zinc/22/67/49/570226749.db2.gz HFLACYKLOVKHRR-AWEZNQCLSA-N 1 1 385.497 2.851 50 0 GFAAMO Cc1nnc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3CCCn3cccn3)s2)[nH]1 ZINC000019866619 570226750 /nfs/dbraw/zinc/22/67/50/570226750.db2.gz HFLACYKLOVKHRR-AWEZNQCLSA-N 1 1 385.497 2.851 50 0 GFAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000048343256 570239916 /nfs/dbraw/zinc/23/99/16/570239916.db2.gz AEQBQXFFQCZJLG-FQEVSTJZSA-N 1 1 387.524 2.948 50 0 GFAAMO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC=C(C)C)on1 ZINC000097514190 570245379 /nfs/dbraw/zinc/24/53/79/570245379.db2.gz UHIDOVORVPPEHZ-UHFFFAOYSA-N 1 1 383.496 2.916 50 0 GFAAMO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC=C(C)C)on1 ZINC000097514190 570245380 /nfs/dbraw/zinc/24/53/80/570245380.db2.gz UHIDOVORVPPEHZ-UHFFFAOYSA-N 1 1 383.496 2.916 50 0 GFAAMO CC[C@H](NC(=O)C1(N2CC[NH+](CC)CC2)Cc2ccccc2C1)c1ccncc1 ZINC000020208374 570248138 /nfs/dbraw/zinc/24/81/38/570248138.db2.gz APTBICJSGHTNAU-QFIPXVFZSA-N 1 1 392.547 2.824 50 0 GFAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1OC ZINC000020255677 570250257 /nfs/dbraw/zinc/25/02/57/570250257.db2.gz HMPUARZYOLUQQY-FQEVSTJZSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)c1OC ZINC000020255677 570250259 /nfs/dbraw/zinc/25/02/59/570250259.db2.gz HMPUARZYOLUQQY-FQEVSTJZSA-N 1 1 388.483 2.912 50 0 GFAAMO COCc1cc(CN2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)ccc1OC ZINC000104451205 570258423 /nfs/dbraw/zinc/25/84/23/570258423.db2.gz CBNVDDSBBMWOCP-HXUWFJFHSA-N 1 1 388.508 2.812 50 0 GFAAMO COCc1cc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)ccc1OC ZINC000104451205 570258425 /nfs/dbraw/zinc/25/84/25/570258425.db2.gz CBNVDDSBBMWOCP-HXUWFJFHSA-N 1 1 388.508 2.812 50 0 GFAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000020506589 570264747 /nfs/dbraw/zinc/26/47/47/570264747.db2.gz ODNHDFANTPLWRW-UHFFFAOYSA-N 1 1 389.374 2.688 50 0 GFAAMO CCN1C[C@@H](C[N@H+](C)C[C@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 ZINC000035284103 570281476 /nfs/dbraw/zinc/28/14/76/570281476.db2.gz VDAGEKSORBBVPH-PZJWPPBQSA-N 1 1 398.503 2.848 50 0 GFAAMO CCN1C[C@@H](C[N@@H+](C)C[C@H](O)COc2cccc(C(C)=O)c2)Oc2ccccc21 ZINC000035284103 570281477 /nfs/dbraw/zinc/28/14/77/570281477.db2.gz VDAGEKSORBBVPH-PZJWPPBQSA-N 1 1 398.503 2.848 50 0 GFAAMO c1ccc(CNc2ncc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)cn2)cc1 ZINC000215192721 570285992 /nfs/dbraw/zinc/28/59/92/570285992.db2.gz VZYJRWGWWPJZBD-FQEVSTJZSA-N 1 1 381.524 2.633 50 0 GFAAMO c1ccc(CNc2ncc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)cn2)cc1 ZINC000215192721 570285994 /nfs/dbraw/zinc/28/59/94/570285994.db2.gz VZYJRWGWWPJZBD-FQEVSTJZSA-N 1 1 381.524 2.633 50 0 GFAAMO COc1cccc(NC(=O)[C@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)c1 ZINC000021793501 570295814 /nfs/dbraw/zinc/29/58/14/570295814.db2.gz DNRADYVELUNXOG-OAQYLSRUSA-N 1 1 381.476 2.977 50 0 GFAAMO C[NH+]1CCN([C@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1 ZINC000022917664 570335763 /nfs/dbraw/zinc/33/57/63/570335763.db2.gz CLCICEDAPOAWFO-GOSISDBHSA-N 1 1 388.606 2.743 50 0 GFAAMO CCOc1cc(CNC[C@H]2CCC[N@@H+]2CC)ccc1OCC(=O)NC(C)(C)C ZINC000022936354 570338718 /nfs/dbraw/zinc/33/87/18/570338718.db2.gz WOGCOKKCXWCFLL-GOSISDBHSA-N 1 1 391.556 2.953 50 0 GFAAMO CCOc1cc(CNC[C@H]2CCC[N@H+]2CC)ccc1OCC(=O)NC(C)(C)C ZINC000022936354 570338719 /nfs/dbraw/zinc/33/87/19/570338719.db2.gz WOGCOKKCXWCFLL-GOSISDBHSA-N 1 1 391.556 2.953 50 0 GFAAMO CCN1CC[NH+]([C@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)CC1 ZINC000023363039 570356835 /nfs/dbraw/zinc/35/68/35/570356835.db2.gz ZGKCUQDZWWJNOT-INIZCTEOSA-N 1 1 388.581 2.999 50 0 GFAAMO O=C(NCCN1CCOC1=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccco2)s1 ZINC000023380490 570359393 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GFAAMO CCCNC(=O)[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000058304866 222049203 /nfs/dbraw/zinc/04/92/03/222049203.db2.gz MNLRSGYMQFKPEB-WMZOPIPTSA-N 1 1 398.507 2.585 50 0 GFAAMO CC[N@@H+](Cc1ccc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1)C(C)C ZINC000060350582 222058947 /nfs/dbraw/zinc/05/89/47/222058947.db2.gz CLYFVBGIBNCGAN-IBGZPJMESA-N 1 1 378.538 2.709 50 0 GFAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1csc(-c2cccnc2)n1 ZINC000065376101 222126039 /nfs/dbraw/zinc/12/60/39/222126039.db2.gz GNTXZHVDODZSJX-IBGZPJMESA-N 1 1 378.501 2.921 50 0 GFAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1csc(-c2cccnc2)n1 ZINC000065376101 222126043 /nfs/dbraw/zinc/12/60/43/222126043.db2.gz GNTXZHVDODZSJX-IBGZPJMESA-N 1 1 378.501 2.921 50 0 GFAAMO Cc1cc2c(cc1NC(=O)C[NH+](C)C)NC(=O)C[C@@H]2c1ccc2nonc2c1 ZINC000065387405 222126713 /nfs/dbraw/zinc/12/67/13/222126713.db2.gz HHYMDOMLKHRMSW-CYBMUJFWSA-N 1 1 379.420 2.505 50 0 GFAAMO O=C(CC[N@H+]1CCC[C@H](c2nc(-c3cccnc3)no2)C1)NCc1ccco1 ZINC000065398200 222128836 /nfs/dbraw/zinc/12/88/36/222128836.db2.gz YFAPACVJZMBWCN-INIZCTEOSA-N 1 1 381.436 2.611 50 0 GFAAMO COc1cc(C[C@H](C)[N@H+]2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O ZINC000065469781 222132345 /nfs/dbraw/zinc/13/23/45/222132345.db2.gz SZFYILILUKAVRK-INIZCTEOSA-N 1 1 398.507 2.670 50 0 GFAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000065675063 222135312 /nfs/dbraw/zinc/13/53/12/222135312.db2.gz JFIFVIMJRBVOFI-HZPDHXFCSA-N 1 1 387.553 2.779 50 0 GFAAMO COc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1F ZINC000071746917 222189964 /nfs/dbraw/zinc/18/99/64/222189964.db2.gz SPARLBVLOUDFER-QGZVFWFLSA-N 1 1 389.515 2.789 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000067623109 222151172 /nfs/dbraw/zinc/15/11/72/222151172.db2.gz SSBXCOHQMMMUCC-UHFFFAOYSA-N 1 1 396.882 2.515 50 0 GFAAMO CC(C)[N@@H+](C)C[C@@H](C)C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067641915 222151310 /nfs/dbraw/zinc/15/13/10/222151310.db2.gz UMAYRYYQJKHKPK-CQSZACIVSA-N 1 1 385.464 2.931 50 0 GFAAMO CC(C)[N@@H+](C)C[C@H](C)C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000067641923 222152154 /nfs/dbraw/zinc/15/21/54/222152154.db2.gz UMAYRYYQJKHKPK-AWEZNQCLSA-N 1 1 385.464 2.931 50 0 GFAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)CCC(C)(C)O)C2=O)cc1 ZINC000067675544 222154453 /nfs/dbraw/zinc/15/44/53/222154453.db2.gz QBXVJHMFZRSDBP-JOCHJYFZSA-N 1 1 376.541 2.756 50 0 GFAAMO C[N@H+]1CC[C@@](C)(CNC(=O)c2cc(COc3cccc4cccnc43)on2)C1 ZINC000067674247 222154675 /nfs/dbraw/zinc/15/46/75/222154675.db2.gz WGSIZQRUMBFXJX-NRFANRHFSA-N 1 1 380.448 2.873 50 0 GFAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc4occc4c3)CC2)C1 ZINC000067695001 222155736 /nfs/dbraw/zinc/15/57/36/222155736.db2.gz QGRBKPQYCNRLTM-HXUWFJFHSA-N 1 1 399.535 2.872 50 0 GFAAMO c1c(-c2ccc3c(c2)OCCO3)nnn1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000067771026 222159548 /nfs/dbraw/zinc/15/95/48/222159548.db2.gz HWIFIAIFGVTCBR-GOSISDBHSA-N 1 1 377.448 2.948 50 0 GFAAMO O=C(c1cc(COc2ccc(F)cc2F)on1)N1CC([NH+]2CCCCC2)C1 ZINC000067769942 222159701 /nfs/dbraw/zinc/15/97/01/222159701.db2.gz XYLGUMJGZDUZQD-UHFFFAOYSA-N 1 1 377.391 2.842 50 0 GFAAMO Cc1nnsc1C[N@@H+](C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067842943 222162658 /nfs/dbraw/zinc/16/26/58/222162658.db2.gz HBWMQMUMERAVJA-IBGZPJMESA-N 1 1 380.558 2.602 50 0 GFAAMO Cc1nnsc1C[N@H+](C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067842943 222162662 /nfs/dbraw/zinc/16/26/62/222162662.db2.gz HBWMQMUMERAVJA-IBGZPJMESA-N 1 1 380.558 2.602 50 0 GFAAMO CC(C)[NH+]1CCN(C(=O)c2coc(COc3cccc4cnccc43)n2)CC1 ZINC000067920986 222167457 /nfs/dbraw/zinc/16/74/57/222167457.db2.gz RCNQUGVYNQQWPR-UHFFFAOYSA-N 1 1 380.448 2.968 50 0 GFAAMO O=C(Nc1ncns1)c1cccc(C[N@H+]2CCC[C@H](Cn3ccnc3)C2)c1 ZINC000067981847 222171197 /nfs/dbraw/zinc/17/11/97/222171197.db2.gz DZSZRDGAOMKLQT-INIZCTEOSA-N 1 1 382.493 2.899 50 0 GFAAMO O=C(Cc1ccccc1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071753167 222192195 /nfs/dbraw/zinc/19/21/95/222192195.db2.gz LWPXCCJFLLJGQP-HXUWFJFHSA-N 1 1 383.536 2.555 50 0 GFAAMO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000071771702 222195426 /nfs/dbraw/zinc/19/54/26/222195426.db2.gz LGPPIFPZKUFEKF-OAQYLSRUSA-N 1 1 397.563 2.767 50 0 GFAAMO CCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072158387 222212611 /nfs/dbraw/zinc/21/26/11/222212611.db2.gz SPJLNIMXFCUPNT-NRFANRHFSA-N 1 1 379.504 2.535 50 0 GFAAMO CCCSc1ncc(C[N@@H+]2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cn1 ZINC000072480769 222267701 /nfs/dbraw/zinc/26/77/01/222267701.db2.gz HQBYYRPINCIJKP-INIZCTEOSA-N 1 1 389.573 2.548 50 0 GFAAMO CCCSc1ncc(C[N@H+]2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cn1 ZINC000072480769 222267706 /nfs/dbraw/zinc/26/77/06/222267706.db2.gz HQBYYRPINCIJKP-INIZCTEOSA-N 1 1 389.573 2.548 50 0 GFAAMO O=c1ccc(-c2ccco2)nn1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072405431 222255989 /nfs/dbraw/zinc/25/59/89/222255989.db2.gz DUOCLFMCANZBSK-XBXARRHUSA-N 1 1 376.460 2.792 50 0 GFAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](CCn2cnnc2)C1 ZINC000095498510 222332942 /nfs/dbraw/zinc/33/29/42/222332942.db2.gz RXXVEHVSDIVVII-MRXNPFEDSA-N 1 1 382.493 2.752 50 0 GFAAMO CCn1ccnc1C1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518426 222344216 /nfs/dbraw/zinc/34/42/16/222344216.db2.gz NZIRAEYOOSWPOG-NRFANRHFSA-N 1 1 396.535 2.900 50 0 GFAAMO CCn1ccnc1C1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000095518426 222344219 /nfs/dbraw/zinc/34/42/19/222344219.db2.gz NZIRAEYOOSWPOG-NRFANRHFSA-N 1 1 396.535 2.900 50 0 GFAAMO CN(C)C(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1cccc3ncccc13)C2 ZINC000082086581 222308076 /nfs/dbraw/zinc/30/80/76/222308076.db2.gz MROJVTWIXXVNQS-UHFFFAOYSA-N 1 1 378.480 2.608 50 0 GFAAMO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000095520199 222346688 /nfs/dbraw/zinc/34/66/88/222346688.db2.gz YWEFIXRXEUQUAE-INIZCTEOSA-N 1 1 380.496 2.731 50 0 GFAAMO CC1(C)C[C@@H](C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)CCO1 ZINC000095527219 222351544 /nfs/dbraw/zinc/35/15/44/222351544.db2.gz FSEFPTDMSFVOCU-INIZCTEOSA-N 1 1 386.540 2.701 50 0 GFAAMO COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000096136428 222385942 /nfs/dbraw/zinc/38/59/42/222385942.db2.gz XFLXRWOLBOWKBG-HNNXBMFYSA-N 1 1 380.920 2.840 50 0 GFAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(Cc3coc(C(C)C)n3)CC2)n1C ZINC000096141728 222387809 /nfs/dbraw/zinc/38/78/09/222387809.db2.gz ZULXSYJQGDLLJR-UHFFFAOYSA-N 1 1 383.500 2.859 50 0 GFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnnc1 ZINC000096150447 222391445 /nfs/dbraw/zinc/39/14/45/222391445.db2.gz IUCWLXIWRRHDPQ-IBGZPJMESA-N 1 1 382.508 2.902 50 0 GFAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000096151730 222391548 /nfs/dbraw/zinc/39/15/48/222391548.db2.gz VBSSNKRKRRBYHI-UHFFFAOYSA-N 1 1 384.406 2.510 50 0 GFAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN(C)CCOC)CC2)C1 ZINC000096166261 222395619 /nfs/dbraw/zinc/39/56/19/222395619.db2.gz QIPFDWVGBQXHJO-OAQYLSRUSA-N 1 1 387.568 2.683 50 0 GFAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2Cl)[C@H](O)C1 ZINC000426421730 534358004 /nfs/dbraw/zinc/35/80/04/534358004.db2.gz DZCMFQMDNGJAFM-QZTJIDSGSA-N 1 1 377.872 2.618 50 0 GFAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2Cl)[C@H](O)C1 ZINC000426421730 534358013 /nfs/dbraw/zinc/35/80/13/534358013.db2.gz DZCMFQMDNGJAFM-QZTJIDSGSA-N 1 1 377.872 2.618 50 0 GFAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000426503161 534688180 /nfs/dbraw/zinc/68/81/80/534688180.db2.gz JYINMSMFESQZRV-MVHVFESUSA-N 1 1 381.524 2.540 50 0 GFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)C1 ZINC000246900211 527814195 /nfs/dbraw/zinc/81/41/95/527814195.db2.gz KEOPJKMORRQBPG-YJLNNSPDSA-N 1 1 377.916 2.660 50 0 GFAAMO CC1(C)CN(C(=O)NCc2nnc3ccccn32)CC[N@H+]1Cc1ccccc1 ZINC000105086145 529090118 /nfs/dbraw/zinc/09/01/18/529090118.db2.gz SHERTJZCYWJVMT-UHFFFAOYSA-N 1 1 378.480 2.535 50 0 GFAAMO CC(C)[N@H+]1CCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)C[C@H]1C ZINC000039489927 535203813 /nfs/dbraw/zinc/20/38/13/535203813.db2.gz WCGHVKMAWHXFRA-GOSISDBHSA-N 1 1 381.524 2.758 50 0 GFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C)c[nH]3)C2)CC1 ZINC000072162519 537069179 /nfs/dbraw/zinc/06/91/79/537069179.db2.gz QDGGTNYZSHYOJV-GOSISDBHSA-N 1 1 382.508 2.759 50 0 GFAAMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(F)cc1I ZINC000048106508 551155884 /nfs/dbraw/zinc/15/58/84/551155884.db2.gz YPXSDWYKRXLBTH-UHFFFAOYSA-N 1 1 378.229 2.890 50 0 GFAAMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000240465970 553087203 /nfs/dbraw/zinc/08/72/03/553087203.db2.gz GBTOFXCRADURRN-MELADBBJSA-N 1 1 379.551 2.690 50 0 GFAAMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000240465970 553087205 /nfs/dbraw/zinc/08/72/05/553087205.db2.gz GBTOFXCRADURRN-MELADBBJSA-N 1 1 379.551 2.690 50 0 GFAAMO COc1ccc([C@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)o2)cc1F ZINC000097087823 570236196 /nfs/dbraw/zinc/23/61/96/570236196.db2.gz LEPJYDQPBDIDLJ-AWEZNQCLSA-N 1 1 375.444 2.666 50 0 GFAAMO Cc1cccc2ncc(C(=O)NCC[N@H+]3CCC[C@H](c4ccccc4)C3)c(=O)n12 ZINC000097301387 570241233 /nfs/dbraw/zinc/24/12/33/570241233.db2.gz UUOVRPMGZTVZAW-IBGZPJMESA-N 1 1 390.487 2.612 50 0 GFAAMO COc1ccccc1-n1cc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cn1 ZINC000020418660 570255137 /nfs/dbraw/zinc/25/51/37/570255137.db2.gz PAUAUIWDDIYZAM-FQEVSTJZSA-N 1 1 384.524 2.692 50 0 GFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(C)s3)C[C@H]2CCO)cc1C ZINC000104525362 570259732 /nfs/dbraw/zinc/25/97/32/570259732.db2.gz BNTWVIJGTVSQLZ-GOSISDBHSA-N 1 1 375.538 2.837 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(C)s3)C[C@H]2CCO)cc1C ZINC000104525362 570259735 /nfs/dbraw/zinc/25/97/35/570259735.db2.gz BNTWVIJGTVSQLZ-GOSISDBHSA-N 1 1 375.538 2.837 50 0 GFAAMO COc1cc(CNC(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)ccc1O ZINC000368842603 570262037 /nfs/dbraw/zinc/26/20/37/570262037.db2.gz DEYHCCAGKIYDKM-UHFFFAOYSA-N 1 1 387.455 2.957 50 0 GFAAMO COc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)ccc1O ZINC000368842603 570262040 /nfs/dbraw/zinc/26/20/40/570262040.db2.gz DEYHCCAGKIYDKM-UHFFFAOYSA-N 1 1 387.455 2.957 50 0 GFAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)CC1 ZINC000020855398 570282315 /nfs/dbraw/zinc/28/23/15/570282315.db2.gz BSJYSYVMERBMLC-HXUWFJFHSA-N 1 1 397.523 2.611 50 0 GFAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N2CCOCC2)cc1 ZINC000022513401 570319044 /nfs/dbraw/zinc/31/90/44/570319044.db2.gz URYOTUHYSIVXQH-UHFFFAOYSA-N 1 1 376.460 2.947 50 0 GFAAMO COC[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000113599127 570333185 /nfs/dbraw/zinc/33/31/85/570333185.db2.gz GYILKEQQJNVOSK-INIZCTEOSA-N 1 1 381.467 2.997 50 0 GFAAMO C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)s1 ZINC000023053425 570341722 /nfs/dbraw/zinc/34/17/22/570341722.db2.gz SXBSBVFKSXNJTL-UHFFFAOYSA-N 1 1 398.916 2.509 50 0 GFAAMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000023058463 570342487 /nfs/dbraw/zinc/34/24/87/570342487.db2.gz BCLIZCCPHQYCHP-IBGZPJMESA-N 1 1 381.520 2.860 50 0 GFAAMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000023058463 570342488 /nfs/dbraw/zinc/34/24/88/570342488.db2.gz BCLIZCCPHQYCHP-IBGZPJMESA-N 1 1 381.520 2.860 50 0 GFAAMO CCCn1ncc(CN2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000023145331 570346634 /nfs/dbraw/zinc/34/66/34/570346634.db2.gz HQIADAZSCQKMEW-NRFANRHFSA-N 1 1 386.540 2.679 50 0 GFAAMO CCCn1ncc(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)c1C ZINC000023145331 570346637 /nfs/dbraw/zinc/34/66/37/570346637.db2.gz HQIADAZSCQKMEW-NRFANRHFSA-N 1 1 386.540 2.679 50 0 GFAAMO CC(=O)N1CC[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000023386750 570360190 /nfs/dbraw/zinc/36/01/90/570360190.db2.gz FQEUOXMMQPLUQG-GMAHTHKFSA-N 1 1 382.504 2.626 50 0 GFAAMO Cc1cc(C)n(-c2ccc(N3CCC([N@@H+](C)C[C@H]4COCCO4)CC3)cc2)n1 ZINC000023541235 570364737 /nfs/dbraw/zinc/36/47/37/570364737.db2.gz YMZNFWHXOFAYOR-QFIPXVFZSA-N 1 1 384.524 2.805 50 0 GFAAMO CC(=O)Nc1cccc(N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000024084151 570378491 /nfs/dbraw/zinc/37/84/91/570378491.db2.gz YJPZRWDRDBHTNJ-KRWDZBQOSA-N 1 1 380.492 2.790 50 0 GFAAMO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000028657717 570462666 /nfs/dbraw/zinc/46/26/66/570462666.db2.gz VUPDWVWIPAJFIH-PZJWPPBQSA-N 1 1 399.466 2.825 50 0 GFAAMO CCCC[N@H+]1CCn2nc(CNC(=O)[C@@H]3CCOc4ccccc4C3)cc2C1 ZINC000426622906 570502153 /nfs/dbraw/zinc/50/21/53/570502153.db2.gz HPFDIWUHAPYXPJ-GOSISDBHSA-N 1 1 382.508 2.756 50 0 GFAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccnc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697434 570529648 /nfs/dbraw/zinc/52/96/48/570529648.db2.gz XCVXWZXBYNPSPK-FQEVSTJZSA-N 1 1 399.491 2.642 50 0 GFAAMO CCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036250991 570587468 /nfs/dbraw/zinc/58/74/68/570587468.db2.gz GTERDEZCBXBGMX-IBGZPJMESA-N 1 1 375.488 2.621 50 0 GFAAMO COc1cc(OC)c(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039478411 570592074 /nfs/dbraw/zinc/59/20/74/570592074.db2.gz MXRPTZMSHUGZCI-QGZVFWFLSA-N 1 1 378.513 2.524 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C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000225402191 212115168 /nfs/dbraw/zinc/11/51/68/212115168.db2.gz PZYWCRGXMSPFJE-HYVNUMGLSA-N 1 1 397.441 2.709 50 0 GFAAMO O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008326598 221037198 /nfs/dbraw/zinc/03/71/98/221037198.db2.gz FLURVOJZXDQBBP-HXUWFJFHSA-N 1 1 377.488 2.747 50 0 GFAAMO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)c1 ZINC000008899496 221063230 /nfs/dbraw/zinc/06/32/30/221063230.db2.gz CIRZFADALGOZIC-INIZCTEOSA-N 1 1 396.534 2.881 50 0 GFAAMO COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CC[N@@H+](CCC(C)C)CC2 ZINC000011788547 221126382 /nfs/dbraw/zinc/12/63/82/221126382.db2.gz SEUORJDNAPVGNX-UHFFFAOYSA-N 1 1 399.491 2.513 50 0 GFAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CCn1cncn1 ZINC000011843567 221131704 /nfs/dbraw/zinc/13/17/04/221131704.db2.gz OADUESSKJLBWDQ-SFHVURJKSA-N 1 1 389.931 2.735 50 0 GFAAMO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1cccn1C)[NH+]1CCCC1 ZINC000011846969 221132121 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XMQWFVRGXRIJOS-GOSISDBHSA-N 1 1 383.496 2.750 50 0 GFAAMO COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1OC ZINC000015066197 221328954 /nfs/dbraw/zinc/32/89/54/221328954.db2.gz BRLKAFZGBPNKQW-SINXNMPMSA-N 1 1 381.476 2.893 50 0 GFAAMO COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1OC ZINC000015066197 221328955 /nfs/dbraw/zinc/32/89/55/221328955.db2.gz BRLKAFZGBPNKQW-SINXNMPMSA-N 1 1 381.476 2.893 50 0 GFAAMO CCCc1nc2sc3c(ncnc3N3CC[NH+](CCO)CC3)c2c2c1CCC2 ZINC000020438541 221487181 /nfs/dbraw/zinc/48/71/81/221487181.db2.gz SIVASTSUGGUINK-UHFFFAOYSA-N 1 1 397.548 2.795 50 0 GFAAMO CCC[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccccc4)CC3)n2)CC1 ZINC000065211480 136160122 /nfs/dbraw/zinc/16/01/22/136160122.db2.gz SJGDUSZUHKFUJG-UHFFFAOYSA-N 1 1 399.564 2.638 50 0 GFAAMO C[C@H](CNC(=O)[C@H]1COc2ccccc2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000065566765 136164166 /nfs/dbraw/zinc/16/41/66/136164166.db2.gz MTVODHQXOUNYBI-UYAOXDASSA-N 1 1 379.504 2.565 50 0 GFAAMO 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COc1cc(C[C@@H](C)[N@H+]2CCCn3nc(C(=O)N4CCCC4)cc3C2)ccc1O ZINC000065469784 222131910 /nfs/dbraw/zinc/13/19/10/222131910.db2.gz SZFYILILUKAVRK-MRXNPFEDSA-N 1 1 398.507 2.670 50 0 GFAAMO COC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204775 222140943 /nfs/dbraw/zinc/14/09/43/222140943.db2.gz WJNGTQYJOGGSTB-LJQANCHMSA-N 1 1 383.423 2.739 50 0 GFAAMO COC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204775 222140946 /nfs/dbraw/zinc/14/09/46/222140946.db2.gz WJNGTQYJOGGSTB-LJQANCHMSA-N 1 1 383.423 2.739 50 0 GFAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287247 222143532 /nfs/dbraw/zinc/14/35/32/222143532.db2.gz GRGIYVVUWAQOFW-SFHVURJKSA-N 1 1 375.444 2.873 50 0 GFAAMO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287247 222143536 /nfs/dbraw/zinc/14/35/36/222143536.db2.gz GRGIYVVUWAQOFW-SFHVURJKSA-N 1 1 375.444 2.873 50 0 GFAAMO COc1cccc(CN2CCC[C@](O)(C[N@@H+](C)Cc3ccccc3)C2=O)c1OC ZINC000067695514 222155172 /nfs/dbraw/zinc/15/51/72/222155172.db2.gz DKOIZMXACMFFFI-QHCPKHFHSA-N 1 1 398.503 2.689 50 0 GFAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc(C)ccc3F)CC2)C1 ZINC000067805581 222161529 /nfs/dbraw/zinc/16/15/29/222161529.db2.gz BODZDEFMGVLMEF-SFHVURJKSA-N 1 1 391.531 2.573 50 0 GFAAMO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCC[N@@H+](C)CC3)nc2)C1 ZINC000067850409 222164063 /nfs/dbraw/zinc/16/40/63/222164063.db2.gz KSLXZZRNAYBSOS-IBGZPJMESA-N 1 1 386.540 2.691 50 0 GFAAMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000070754723 222176874 /nfs/dbraw/zinc/17/68/74/222176874.db2.gz OLDXWTRQHKUUQC-OAHLLOKOSA-N 1 1 379.464 2.945 50 0 GFAAMO CC(C)c1nccn1CCCNC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000071315345 222180531 /nfs/dbraw/zinc/18/05/31/222180531.db2.gz LGKHENYHOBODTH-SFHVURJKSA-N 1 1 384.528 2.728 50 0 GFAAMO COc1ccc(OC)c(-c2nc(C[NH+]3CCC4(CNC(=O)O4)CC3)c(C)o2)c1 ZINC000071498502 222185203 /nfs/dbraw/zinc/18/52/03/222185203.db2.gz HTALYOPPEAWSRT-UHFFFAOYSA-N 1 1 387.436 2.742 50 0 GFAAMO CC(C)[C@@H]1CN(S(=O)(=O)N2CCCC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071746367 222188446 /nfs/dbraw/zinc/18/84/46/222188446.db2.gz PSZHVNGRYIDVGJ-IBGZPJMESA-N 1 1 383.533 2.699 50 0 GFAAMO Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000072122305 222209324 /nfs/dbraw/zinc/20/93/24/222209324.db2.gz IKIRKCWDWGBZLF-QFIPXVFZSA-N 1 1 388.556 2.630 50 0 GFAAMO Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000072122305 222209327 /nfs/dbraw/zinc/20/93/27/222209327.db2.gz IKIRKCWDWGBZLF-QFIPXVFZSA-N 1 1 388.556 2.630 50 0 GFAAMO Nc1ccc(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072134673 222211464 /nfs/dbraw/zinc/21/14/64/222211464.db2.gz YVUIEURUMUPBKE-MISYRCLQSA-N 1 1 384.430 2.644 50 0 GFAAMO CC(C)[C@@H]1CN(C(=O)CCCn2cncn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072162043 222214572 /nfs/dbraw/zinc/21/45/72/222214572.db2.gz SCVJMPMKKZYIFM-FQEVSTJZSA-N 1 1 387.503 2.957 50 0 GFAAMO CC(C)OCCN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 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C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000015861284 221348454 /nfs/dbraw/zinc/34/84/54/221348454.db2.gz BAPXTDOFXQCGCQ-CQSZACIVSA-N 1 1 394.566 2.824 50 0 GFAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000017305795 221382382 /nfs/dbraw/zinc/38/23/82/221382382.db2.gz WTOCVJNSMYJYOJ-AWEZNQCLSA-N 1 1 379.420 2.628 50 0 GFAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000017305795 221382383 /nfs/dbraw/zinc/38/23/83/221382383.db2.gz WTOCVJNSMYJYOJ-AWEZNQCLSA-N 1 1 379.420 2.628 50 0 GFAAMO C[NH+](C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1Cl ZINC000017909297 221385120 /nfs/dbraw/zinc/38/51/20/221385120.db2.gz DBKDLUNWLVQTOI-GOSISDBHSA-N 1 1 384.867 2.538 50 0 GFAAMO O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CC[NH+](CCO)CC1 ZINC000019798395 221453512 /nfs/dbraw/zinc/45/35/12/221453512.db2.gz XLYSDMZAMKIWBN-UHFFFAOYSA-N 1 1 383.879 2.963 50 0 biogenic,in-vitro GFAAMO CCN1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072479824 136171339 /nfs/dbraw/zinc/17/13/39/136171339.db2.gz LRIZELVZCWOHHA-UHFFFAOYSA-N 1 1 385.943 2.941 50 0 GFAAMO C[C@@H]1C[N@@H+](CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 ZINC000023111033 221582181 /nfs/dbraw/zinc/58/21/81/221582181.db2.gz YLOGEJDRTNFZAO-OKILXGFUSA-N 1 1 392.887 2.548 50 0 GFAAMO C[C@@H]1C[N@H+](CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H](C)O1 ZINC000023111033 221582184 /nfs/dbraw/zinc/58/21/84/221582184.db2.gz YLOGEJDRTNFZAO-OKILXGFUSA-N 1 1 392.887 2.548 50 0 GFAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 ZINC000040087000 221903345 /nfs/dbraw/zinc/90/33/45/221903345.db2.gz PLBJJBJKPOKIOK-NRFANRHFSA-N 1 1 378.472 2.811 50 0 GFAAMO COc1cc2c(cc1Br)n(C)c(C)c2C(=O)N1CC[NH+](C)CC1 ZINC000055208362 222018755 /nfs/dbraw/zinc/01/87/55/222018755.db2.gz NBJRVAKOVIFMNE-UHFFFAOYSA-N 1 1 380.286 2.645 50 0 GFAAMO COCC[NH+]1CCC(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(OC(C)C)cc2)CC1 ZINC000055386496 222020533 /nfs/dbraw/zinc/02/05/33/222020533.db2.gz UQGAOENYGUQGST-FQEVSTJZSA-N 1 1 378.513 2.890 50 0 GFAAMO Cc1ccc(CN2CC[NH+](Cc3ccccc3CO)CC2)n1-c1cccnc1 ZINC000055569031 222022042 /nfs/dbraw/zinc/02/20/42/222022042.db2.gz FKNSRWAKNLPHJF-UHFFFAOYSA-N 1 1 376.504 2.991 50 0 GFAAMO CC(C)[NH+]1CCN(C(=O)c2cc3c(n2C)CCN(Cc2ccc(F)cc2)C3)CC1 ZINC000065211062 222111645 /nfs/dbraw/zinc/11/16/45/222111645.db2.gz IFOCDZNSZIWTSK-UHFFFAOYSA-N 1 1 398.526 2.889 50 0 GFAAMO Cc1ccc([C@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)[NH+](C)C)cc1 ZINC000060321548 222059639 /nfs/dbraw/zinc/05/96/39/222059639.db2.gz KBWIDYOWEHWTFQ-FQEVSTJZSA-N 1 1 384.505 2.762 50 0 GFAAMO CCc1[nH+]ccn1CC1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000062129908 222065841 /nfs/dbraw/zinc/06/58/41/222065841.db2.gz YWDCDRLNIYRMQP-UHFFFAOYSA-N 1 1 391.475 2.544 50 0 GFAAMO COCC[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc(Br)cc3)CCC2)C1 ZINC000065474618 222131191 /nfs/dbraw/zinc/13/11/91/222131191.db2.gz OJYBYHMFNIYULZ-HNNXBMFYSA-N 1 1 395.341 2.955 50 0 GFAAMO Cc1ccc(C)c(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)c1 ZINC000067603458 222149639 /nfs/dbraw/zinc/14/96/39/222149639.db2.gz SSDHJUHCGBDDKT-UHFFFAOYSA-N 1 1 376.464 2.550 50 0 GFAAMO O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000067723456 222156630 /nfs/dbraw/zinc/15/66/30/222156630.db2.gz BPTLCZSDHAFJFO-ZDUSSCGKSA-N 1 1 377.391 2.842 50 0 GFAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)on1 ZINC000071388541 222183360 /nfs/dbraw/zinc/18/33/60/222183360.db2.gz LOAQTZBRMKOBNL-FQEVSTJZSA-N 1 1 396.535 2.976 50 0 GFAAMO COc1ccc(F)c(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071738752 222187978 /nfs/dbraw/zinc/18/79/78/222187978.db2.gz UHKVMJHRIGLTNW-INIZCTEOSA-N 1 1 389.515 2.789 50 0 GFAAMO COc1cccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071775579 222198155 /nfs/dbraw/zinc/19/81/55/222198155.db2.gz SORUCCAIKSHSGD-IBGZPJMESA-N 1 1 399.535 2.634 50 0 GFAAMO c1c(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)nn2c1CNCC2 ZINC000072162710 222213891 /nfs/dbraw/zinc/21/38/91/222213891.db2.gz KEBGPFUBILNBDR-QHCPKHFHSA-N 1 1 379.552 2.865 50 0 GFAAMO c1c(CN2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)nn2c1CNCC2 ZINC000072162710 222213895 /nfs/dbraw/zinc/21/38/95/222213895.db2.gz KEBGPFUBILNBDR-QHCPKHFHSA-N 1 1 379.552 2.865 50 0 GFAAMO O=C(NCc1ccccn1)[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2)CCN1 ZINC000072171650 222216465 /nfs/dbraw/zinc/21/64/65/222216465.db2.gz ANKWJVYIWBBKQR-QHCPKHFHSA-N 1 1 386.499 2.839 50 0 GFAAMO OCC[C@H]1CN(c2noc(-c3ccccc3)n2)CC[N@H+]1CCc1ccccc1 ZINC000072438754 222260637 /nfs/dbraw/zinc/26/06/37/222260637.db2.gz IIVDXYGLLGMMQZ-FQEVSTJZSA-N 1 1 378.476 2.852 50 0 GFAAMO CCN1CC2(CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)OC1=O ZINC000077287659 222277356 /nfs/dbraw/zinc/27/73/56/222277356.db2.gz LTIUNMAKBBYQPX-LJQANCHMSA-N 1 1 385.508 2.874 50 0 GFAAMO CC(C)C[N@@H+](C)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000077344009 222280059 /nfs/dbraw/zinc/28/00/59/222280059.db2.gz VJQZEBILUPXMSH-UHFFFAOYSA-N 1 1 378.476 2.941 50 0 GFAAMO C[C@H]1C[NH+](CCCCNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000079108134 222304126 /nfs/dbraw/zinc/30/41/26/222304126.db2.gz URVGPQAFBUQEJI-KBPBESRZSA-N 1 1 394.459 2.873 50 0 GFAAMO COc1cccc2c1ccn2CCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000079483423 222304897 /nfs/dbraw/zinc/30/48/97/222304897.db2.gz JGVMNICSXHQUTI-UHFFFAOYSA-N 1 1 392.503 2.822 50 0 GFAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120211 222310211 /nfs/dbraw/zinc/31/02/11/222310211.db2.gz BPLZQLQZRKWEGL-SFHVURJKSA-N 1 1 391.581 2.592 50 0 GFAAMO CN(C)C(=O)CN(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095530409 222353566 /nfs/dbraw/zinc/35/35/66/222353566.db2.gz GZAOJJSVSHCKFQ-KRWDZBQOSA-N 1 1 385.474 2.980 50 0 GFAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnnc1 ZINC000096150446 222390871 /nfs/dbraw/zinc/39/08/71/222390871.db2.gz IUCWLXIWRRHDPQ-LJQANCHMSA-N 1 1 382.508 2.902 50 0 GFAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000096162365 222393388 /nfs/dbraw/zinc/39/33/88/222393388.db2.gz NXPZHCDUCUYUKJ-HXUWFJFHSA-N 1 1 383.536 2.727 50 0 GFAAMO COC(=O)c1ccc(OC)c(NC(=O)NC[C@H](c2ccc(C)o2)[NH+](C)C)c1 ZINC000096132596 534233540 /nfs/dbraw/zinc/23/35/40/534233540.db2.gz KFPKMFOLXGMHAZ-OAHLLOKOSA-N 1 1 375.425 2.808 50 0 GFAAMO O=C(CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2)NC1CC1 ZINC000426397367 534413755 /nfs/dbraw/zinc/41/37/55/534413755.db2.gz IVPKBFWBMAONBT-NRFANRHFSA-N 1 1 377.479 2.921 50 0 GFAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000426727060 534686468 /nfs/dbraw/zinc/68/64/68/534686468.db2.gz ZIFZVOIAFQIOQA-INIZCTEOSA-N 1 1 379.512 2.667 50 0 GFAAMO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000426727060 534686471 /nfs/dbraw/zinc/68/64/71/534686471.db2.gz ZIFZVOIAFQIOQA-INIZCTEOSA-N 1 1 379.512 2.667 50 0 GFAAMO COC1CCN(c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)CC1 ZINC000067675572 536756041 /nfs/dbraw/zinc/75/60/41/536756041.db2.gz HJCXCKWCDCYNHD-UHFFFAOYSA-N 1 1 385.512 2.837 50 0 GFAAMO CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCC(N)=O ZINC000004841931 551095094 /nfs/dbraw/zinc/09/50/94/551095094.db2.gz XHUWMSRIVVTOTK-UHFFFAOYSA-N 1 1 383.242 2.595 50 0 GFAAMO COc1cc(CN2CC[N@@H+](CCc3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000019743295 570212746 /nfs/dbraw/zinc/21/27/46/570212746.db2.gz ANSQCCOWMWJIPI-NRFANRHFSA-N 1 1 384.520 2.815 50 0 GFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)ccn1 ZINC000048326598 570237932 /nfs/dbraw/zinc/23/79/32/570237932.db2.gz AVBLVISGQQCTHH-INIZCTEOSA-N 1 1 395.488 2.558 50 0 GFAAMO c1ccc(CN2CN(CCC[NH+]3CCOCC3)Cn3c4ccccc4nc32)cc1 ZINC000020101230 570239323 /nfs/dbraw/zinc/23/93/23/570239323.db2.gz CHLXZWFUMGPIAN-UHFFFAOYSA-N 1 1 391.519 2.996 50 0 GFAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000048343254 570239968 /nfs/dbraw/zinc/23/99/68/570239968.db2.gz AEQBQXFFQCZJLG-HXUWFJFHSA-N 1 1 387.524 2.948 50 0 GFAAMO CC[C@H]1CN(C(=O)c2ccc(N(CC)Cc3cnn(C)c3)nc2)CC[N@H+]1C(C)C ZINC000020203648 570247579 /nfs/dbraw/zinc/24/75/79/570247579.db2.gz HNEZDHVOFIFHMZ-FQEVSTJZSA-N 1 1 398.555 2.786 50 0 GFAAMO COc1ccc(OC)c(NC(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000020418585 570255021 /nfs/dbraw/zinc/25/50/21/570255021.db2.gz RGYNGWZCRQPZQX-UHFFFAOYSA-N 1 1 383.492 2.769 50 0 GFAAMO COc1ccc(CN2CC[N@H+](Cc3ccccc3OC)C[C@H]2CCO)c(F)c1 ZINC000104354398 570257123 /nfs/dbraw/zinc/25/71/23/570257123.db2.gz AJQRBXGWMBSXHR-LJQANCHMSA-N 1 1 388.483 2.912 50 0 GFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3OC)C[C@H]2CCO)c(F)c1 ZINC000104354398 570257126 /nfs/dbraw/zinc/25/71/26/570257126.db2.gz AJQRBXGWMBSXHR-LJQANCHMSA-N 1 1 388.483 2.912 50 0 GFAAMO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(C)nc3)CC2)[C@H]1O ZINC000020905930 570283646 /nfs/dbraw/zinc/28/36/46/570283646.db2.gz INVLKCITSXZWFL-RTWAWAEBSA-N 1 1 379.504 2.931 50 0 GFAAMO c1ccc(CNc2ncc(C[NH+]3CCC(Oc4ncccn4)CC3)cn2)cc1 ZINC000215174669 570286035 /nfs/dbraw/zinc/28/60/35/570286035.db2.gz ABIFCMFLVJAQNV-UHFFFAOYSA-N 1 1 376.464 2.922 50 0 GFAAMO COc1ccc(/C=C/C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)C[C@]3(C(=O)[O-])C2)cc1 ZINC000215886307 570293275 /nfs/dbraw/zinc/29/32/75/570293275.db2.gz YIONSYDPFWWXFT-FHPHHSFESA-N 1 1 393.487 2.622 50 0 GFAAMO COc1ccc(/C=C/C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)C[C@]3(C(=O)[O-])C2)cc1 ZINC000215886307 570293276 /nfs/dbraw/zinc/29/32/76/570293276.db2.gz YIONSYDPFWWXFT-FHPHHSFESA-N 1 1 393.487 2.622 50 0 GFAAMO COc1ccc(/C=C/C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)C[C@]3(C(=O)[O-])C2)cc1 ZINC000215886307 570293277 /nfs/dbraw/zinc/29/32/77/570293277.db2.gz YIONSYDPFWWXFT-FHPHHSFESA-N 1 1 393.487 2.622 50 0 GFAAMO COc1ccc(/C=C/C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)C[C@]3(C(=O)[O-])C2)cc1 ZINC000215886307 570293278 /nfs/dbraw/zinc/29/32/78/570293278.db2.gz YIONSYDPFWWXFT-FHPHHSFESA-N 1 1 393.487 2.622 50 0 GFAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000022436302 570317165 /nfs/dbraw/zinc/31/71/65/570317165.db2.gz XRWSVSDBDLCIAB-UHFFFAOYSA-N 1 1 394.519 2.551 50 0 GFAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1Cl ZINC000022619859 570323958 /nfs/dbraw/zinc/32/39/58/570323958.db2.gz CFHJWRPFULOSES-GOSISDBHSA-N 1 1 394.924 2.917 50 0 GFAAMO C[NH+]1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 ZINC000022795580 570328200 /nfs/dbraw/zinc/32/82/00/570328200.db2.gz UFGJSCZQYMRTOI-GOSISDBHSA-N 1 1 386.883 2.858 50 0 GFAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(C)cc1 ZINC000035380332 570347415 /nfs/dbraw/zinc/34/74/15/570347415.db2.gz QXXLHODIWNSIJU-WTNAPCKOSA-N 1 1 393.531 2.857 50 0 GFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)cc1C ZINC000023373948 570357837 /nfs/dbraw/zinc/35/78/37/570357837.db2.gz GLWAUNYLBRVONT-NRFANRHFSA-N 1 1 386.540 2.850 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3cnn(C(C)C)c3)C[C@@H]2CCO)cc1C ZINC000023373948 570357838 /nfs/dbraw/zinc/35/78/38/570357838.db2.gz GLWAUNYLBRVONT-NRFANRHFSA-N 1 1 386.540 2.850 50 0 GFAAMO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc1C ZINC000023375203 570358715 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FDBLHGFTIVLTRF-QGZVFWFLSA-N 1 1 398.507 2.596 50 0 GFAAMO CCc1ccc([C@@H]([NH2+]Cc2cc(=O)n(C)c(=O)n2C)c2cccc(F)c2)cc1 ZINC000032865640 570863002 /nfs/dbraw/zinc/86/30/02/570863002.db2.gz FTAYZCKUAAYJNY-OAQYLSRUSA-N 1 1 381.451 2.665 50 0 GFAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000170609559 570866171 /nfs/dbraw/zinc/86/61/71/570866171.db2.gz PXQNPBGOKLNHQK-KRWDZBQOSA-N 1 1 378.480 2.968 50 0 GFAAMO CC(C)[C@@H]1CN(C(=O)CCC(=O)N(C)C)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072144719 570871084 /nfs/dbraw/zinc/87/10/84/570871084.db2.gz LAHVPDOJEWDUML-IBGZPJMESA-N 1 1 377.504 2.753 50 0 GFAAMO O=C(Nc1ccccc1Cl)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097087332 570890962 /nfs/dbraw/zinc/89/09/62/570890962.db2.gz AKAXJHCFAZMLLQ-SFHVURJKSA-N 1 1 390.915 2.891 50 0 GFAAMO O=C(Nc1ccccc1Cl)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097087332 570890965 /nfs/dbraw/zinc/89/09/65/570890965.db2.gz AKAXJHCFAZMLLQ-SFHVURJKSA-N 1 1 390.915 2.891 50 0 GFAAMO Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1C ZINC000299778234 570895119 /nfs/dbraw/zinc/89/51/19/570895119.db2.gz QDVJJGCYMFVSDQ-PKOBYXMFSA-N 1 1 382.460 2.821 50 0 GFAAMO Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1C ZINC000299778234 570895124 /nfs/dbraw/zinc/89/51/24/570895124.db2.gz QDVJJGCYMFVSDQ-PKOBYXMFSA-N 1 1 382.460 2.821 50 0 GFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000249694253 570896224 /nfs/dbraw/zinc/89/62/24/570896224.db2.gz ORKFZFIDOVTHAI-LSDHHAIUSA-N 1 1 384.446 2.917 50 0 GFAAMO COc1cc(-c2noc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)n2)ccc1C ZINC000089647083 570908173 /nfs/dbraw/zinc/90/81/73/570908173.db2.gz YUXVXQSRMIJJKS-UHFFFAOYSA-N 1 1 384.480 2.888 50 0 GFAAMO CCN(C)C(=O)c1ccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)c2)nc1 ZINC000534632971 570910944 /nfs/dbraw/zinc/91/09/44/570910944.db2.gz CNBJTVONUQLUJR-LJQANCHMSA-N 1 1 380.492 2.617 50 0 GFAAMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000534651028 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375.419 2.969 50 0 GFAAMO CN1c2ccccc2[C@]2(N=C(Nc3cccc(Cl)c3Cl)NC(=[NH2+])N2)C1=O ZINC000019330272 570975147 /nfs/dbraw/zinc/97/51/47/570975147.db2.gz DVNRGNGNLHKJCU-KRWDZBQOSA-N 1 1 389.246 2.509 50 0 GFAAMO COc1cccc(NC(=O)C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000252527420 570988013 /nfs/dbraw/zinc/98/80/13/570988013.db2.gz CNMHDVPVQAWWHS-MRXNPFEDSA-N 1 1 379.464 2.631 50 0 GFAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1OC ZINC000046032370 571014244 /nfs/dbraw/zinc/01/42/44/571014244.db2.gz MAYMLTRYPLFIDT-UHFFFAOYSA-N 1 1 386.477 2.678 50 0 GFAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3nc(C4CC4)sc3n2)cc1OC ZINC000046032370 571014247 /nfs/dbraw/zinc/01/42/47/571014247.db2.gz MAYMLTRYPLFIDT-UHFFFAOYSA-N 1 1 386.477 2.678 50 0 GFAAMO O=C(c1ccncc1)N1CCC([N@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091643961 571020671 /nfs/dbraw/zinc/02/06/71/571020671.db2.gz RGEFWEGUBQDHPC-IBGZPJMESA-N 1 1 379.504 2.743 50 0 GFAAMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091656114 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COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1/C=C/[NH+](C)C ZINC000049581132 222001336 /nfs/dbraw/zinc/00/13/36/222001336.db2.gz CSXVLISILLQSSS-BQYQJAHWSA-N 1 1 376.796 2.864 50 0 GFAAMO C[C@H](C(=O)Nc1nccs1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000052805173 222008166 /nfs/dbraw/zinc/00/81/66/222008166.db2.gz PKRJYWALJLYNLC-OAHLLOKOSA-N 1 1 376.551 2.880 50 0 GFAAMO Cc1ccc(-c2csc3ncnc(N4CCC[N@H+](CC(N)=O)CC4)c23)cc1 ZINC000054389056 222013273 /nfs/dbraw/zinc/01/32/73/222013273.db2.gz OYHNSTFLVBSXHP-UHFFFAOYSA-N 1 1 381.505 2.664 50 0 GFAAMO Cc1ccc(-c2csc3ncnc(N4CCC[N@@H+](CC(N)=O)CC4)c23)cc1 ZINC000054389056 222013277 /nfs/dbraw/zinc/01/32/77/222013277.db2.gz OYHNSTFLVBSXHP-UHFFFAOYSA-N 1 1 381.505 2.664 50 0 GFAAMO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000065329716 222123176 /nfs/dbraw/zinc/12/31/76/222123176.db2.gz LHHOIINBOUGLNI-UHFFFAOYSA-N 1 1 388.512 2.948 50 0 GFAAMO OC[C@H]1CCCC[N@H+]1CCn1cnc(-c2ccccc2)c1CCn1cccn1 ZINC000065428240 222130115 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GFAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(F)c(C)c3)CC2)C1 ZINC000067908570 222166825 /nfs/dbraw/zinc/16/68/25/222166825.db2.gz PQKRUAUVLFHMQF-IBGZPJMESA-N 1 1 391.531 2.573 50 0 GFAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(C(C)C)n1 ZINC000071415730 222183767 /nfs/dbraw/zinc/18/37/67/222183767.db2.gz NSXLSXNKKZKFGH-QGZVFWFLSA-N 1 1 385.556 2.868 50 0 GFAAMO CC(C)[C@H]1C[N@@H+](CCC(=O)N2CCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071551909 222185400 /nfs/dbraw/zinc/18/54/00/222185400.db2.gz LILJLPLNEICGEF-HXUWFJFHSA-N 1 1 389.515 2.897 50 0 GFAAMO Cc1ccccc1CCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071662551 222186307 /nfs/dbraw/zinc/18/63/07/222186307.db2.gz PKOGAOWOSKWZTB-NRFANRHFSA-N 1 1 397.563 2.767 50 0 GFAAMO CC[NH+]1CCN(C(=O)C[C@@]2(Cc3ccccc3)c3ccccc3N(C)C2=O)CC1 ZINC000071715110 222187546 /nfs/dbraw/zinc/18/75/46/222187546.db2.gz LKFPYCDCBCZORL-DEOSSOPVSA-N 1 1 391.515 2.698 50 0 GFAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1 ZINC000071759163 222194317 /nfs/dbraw/zinc/19/43/17/222194317.db2.gz OUAUUPVWFLCTSV-SFHVURJKSA-N 1 1 394.519 2.763 50 0 GFAAMO Cc1cc(Cl)cc(Cl)c1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)C ZINC000072120725 222207733 /nfs/dbraw/zinc/20/77/33/222207733.db2.gz KZRZZPTTWKPTJD-MRXNPFEDSA-N 1 1 386.323 2.765 50 0 GFAAMO CC(=O)NCCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072129280 222208337 /nfs/dbraw/zinc/20/83/37/222208337.db2.gz HSJCLOFLPUNDNE-FQEVSTJZSA-N 1 1 377.504 2.801 50 0 GFAAMO CN1C[C@]2(CCC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)CC2)OC1=O ZINC000072129094 222208639 /nfs/dbraw/zinc/20/86/39/222208639.db2.gz BOCQRRNZDFHEQX-OAQYLSRUSA-N 1 1 381.480 2.895 50 0 GFAAMO CC(C)[C@H](CO)NC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072125426 222209654 /nfs/dbraw/zinc/20/96/54/222209654.db2.gz JMRZEBDLWSXBMU-QFIPXVFZSA-N 1 1 380.532 2.832 50 0 GFAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000072169627 222215296 /nfs/dbraw/zinc/21/52/96/222215296.db2.gz VSGUACZPINNOAV-LJQANCHMSA-N 1 1 382.508 2.855 50 0 GFAAMO O=C(c1cc(-c2ccccc2)on1)N1C[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000072462987 222262972 /nfs/dbraw/zinc/26/29/72/222262972.db2.gz VLDVDPKLQOESOH-SFTDATJTSA-N 1 1 389.455 2.585 50 0 GFAAMO O=C(c1cc(-c2ccccc2)on1)N1C[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000072462987 222262976 /nfs/dbraw/zinc/26/29/76/222262976.db2.gz VLDVDPKLQOESOH-SFTDATJTSA-N 1 1 389.455 2.585 50 0 GFAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000095502213 222335313 /nfs/dbraw/zinc/33/53/13/222335313.db2.gz ROGIQFKMJXPLSA-QFIPXVFZSA-N 1 1 391.515 2.986 50 0 GFAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000095502213 222335317 /nfs/dbraw/zinc/33/53/17/222335317.db2.gz ROGIQFKMJXPLSA-QFIPXVFZSA-N 1 1 391.515 2.986 50 0 GFAAMO CCN1CC[C@]2(CN(C(=O)c3csc4c3CCCC4)CC[N@H+]2C)CCC1=O ZINC000095503655 222335736 /nfs/dbraw/zinc/33/57/36/222335736.db2.gz SGKGJDPHFAKQRN-NRFANRHFSA-N 1 1 389.565 2.786 50 0 GFAAMO Cc1oncc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000095515181 222342672 /nfs/dbraw/zinc/34/26/72/222342672.db2.gz VHFJIFKEOUWOKM-MRXNPFEDSA-N 1 1 395.500 2.697 50 0 GFAAMO NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000095512063 222343020 /nfs/dbraw/zinc/34/30/20/222343020.db2.gz MBJOCNCMSWGIAW-UHFFFAOYSA-N 1 1 376.460 2.971 50 0 GFAAMO CCC(CC)CN1CC2(CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC2)OC1=O ZINC000077469773 222282779 /nfs/dbraw/zinc/28/27/79/222282779.db2.gz NROHDOFEWVJKNZ-KRWDZBQOSA-N 1 1 379.545 2.968 50 0 GFAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)s1 ZINC000082120212 222311105 /nfs/dbraw/zinc/31/11/05/222311105.db2.gz BPLZQLQZRKWEGL-GOSISDBHSA-N 1 1 391.581 2.592 50 0 GFAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000095522329 222347714 /nfs/dbraw/zinc/34/77/14/222347714.db2.gz HEYXGIQFSNEXDJ-HNNXBMFYSA-N 1 1 375.494 2.559 50 0 GFAAMO CC(C)n1ccnc1C1CCN(C(=O)CC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000095526151 222350974 /nfs/dbraw/zinc/35/09/74/222350974.db2.gz GRQKPFATEYCMCG-GOSISDBHSA-N 1 1 375.561 2.586 50 0 GFAAMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(n3ccnc3)CC2)CC1 ZINC000095955978 222364001 /nfs/dbraw/zinc/36/40/01/222364001.db2.gz YKFVXKOCCXQHPG-UHFFFAOYSA-N 1 1 395.551 2.563 50 0 GFAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(n3ccnc3)CC2)CC1 ZINC000095955978 222364003 /nfs/dbraw/zinc/36/40/03/222364003.db2.gz YKFVXKOCCXQHPG-UHFFFAOYSA-N 1 1 395.551 2.563 50 0 GFAAMO Cc1ccc(NC(=O)N[C@H](C)Cc2ncccc2C)cc1NC(=O)C[NH+](C)C ZINC000096137633 222385809 /nfs/dbraw/zinc/38/58/09/222385809.db2.gz WLORNLCAFSHPIK-MRXNPFEDSA-N 1 1 383.496 2.951 50 0 GFAAMO CN(C)Cc1nnc(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1C ZINC000096153994 222391458 /nfs/dbraw/zinc/39/14/58/222391458.db2.gz IPPNMRHMBNJMPX-UHFFFAOYSA-N 1 1 380.496 2.911 50 0 GFAAMO Cc1nc(CCN(C)C(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)no1 ZINC000426398032 534323537 /nfs/dbraw/zinc/32/35/37/534323537.db2.gz JBTIVULLOOJAFO-GOSISDBHSA-N 1 1 382.468 2.898 50 0 GFAAMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000089799908 534808734 /nfs/dbraw/zinc/80/87/34/534808734.db2.gz FIANRUOZJRHWAN-CVEARBPZSA-N 1 1 375.538 2.733 50 0 GFAAMO CC[N@H+]1CC[C@@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426465295 527798789 /nfs/dbraw/zinc/79/87/89/527798789.db2.gz RBGQWBWRXQDCLX-OAHLLOKOSA-N 1 1 388.537 2.735 50 0 GFAAMO CCNC(=O)c1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)c1 ZINC000095501403 535450884 /nfs/dbraw/zinc/45/08/84/535450884.db2.gz HOGVMQMUTKHTRN-IBGZPJMESA-N 1 1 390.491 2.855 50 0 GFAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(C)c[nH]3)C2)CC1 ZINC000072162518 537071389 /nfs/dbraw/zinc/07/13/89/537071389.db2.gz QDGGTNYZSHYOJV-SFHVURJKSA-N 1 1 382.508 2.759 50 0 GFAAMO COc1ccc(C[N@@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)cc1C ZINC000019741526 570212825 /nfs/dbraw/zinc/21/28/25/570212825.db2.gz UMUZSCISSZNPAK-FQEVSTJZSA-N 1 1 386.540 2.919 50 0 GFAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)cc1C ZINC000019741526 570212826 /nfs/dbraw/zinc/21/28/26/570212826.db2.gz UMUZSCISSZNPAK-FQEVSTJZSA-N 1 1 386.540 2.919 50 0 GFAAMO COc1cccc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc21 ZINC000019799346 570220197 /nfs/dbraw/zinc/22/01/97/570220197.db2.gz MTEUNHYCWMTJSD-UHFFFAOYSA-N 1 1 378.428 2.760 50 0 GFAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000048339952 570238647 /nfs/dbraw/zinc/23/86/47/570238647.db2.gz QQRMRAOYCBSXRC-FUHIMQAGSA-N 1 1 383.536 2.792 50 0 GFAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(SC(C)C)cc2)CC1 ZINC000048367178 570246787 /nfs/dbraw/zinc/24/67/87/570246787.db2.gz MVFBMSMQXULMCP-UHFFFAOYSA-N 1 1 377.554 2.908 50 0 GFAAMO OCC[C@H]1CN(Cc2ccc3nonc3c2)CC[N@H+]1CCCc1ccccc1 ZINC000020203635 570247457 /nfs/dbraw/zinc/24/74/57/570247457.db2.gz XUYSSIKSRHIGFI-FQEVSTJZSA-N 1 1 380.492 2.724 50 0 GFAAMO COc1cc(/C=C/CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)ccc1O ZINC000020351090 570252580 /nfs/dbraw/zinc/25/25/80/570252580.db2.gz RQRRXNZSFSKRMN-FERLCFGISA-N 1 1 382.504 2.983 50 0 GFAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(COC)o3)C[C@H]2CCO)cc1 ZINC000104462128 570258516 /nfs/dbraw/zinc/25/85/16/570258516.db2.gz OIWPKDZXTTZZSF-LJQANCHMSA-N 1 1 388.508 2.894 50 0 GFAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(COC)o3)C[C@H]2CCO)cc1 ZINC000104462128 570258520 /nfs/dbraw/zinc/25/85/20/570258520.db2.gz OIWPKDZXTTZZSF-LJQANCHMSA-N 1 1 388.508 2.894 50 0 GFAAMO CCOC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000006786999 570283979 /nfs/dbraw/zinc/28/39/79/570283979.db2.gz GTZAUIWNHZSWAT-LJQANCHMSA-N 1 1 387.480 2.789 50 0 GFAAMO COC(=O)c1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000021005358 570287215 /nfs/dbraw/zinc/28/72/15/570287215.db2.gz RHIXWVUGVGKSLI-UHFFFAOYSA-N 1 1 391.471 2.772 50 0 GFAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000021580494 570292804 /nfs/dbraw/zinc/29/28/04/570292804.db2.gz WAYOVBFBCCTVRJ-QGZVFWFLSA-N 1 1 375.856 2.848 50 0 GFAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000021580494 570292805 /nfs/dbraw/zinc/29/28/05/570292805.db2.gz WAYOVBFBCCTVRJ-QGZVFWFLSA-N 1 1 375.856 2.848 50 0 GFAAMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(OC)c1C ZINC000022375547 570314487 /nfs/dbraw/zinc/31/44/87/570314487.db2.gz GWBOACMHTMBVDU-UHFFFAOYSA-N 1 1 376.497 2.777 50 0 GFAAMO CN1CCC([NH+]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)CC1 ZINC000022914108 570334690 /nfs/dbraw/zinc/33/46/90/570334690.db2.gz JKLYBLRDULMBAL-UHFFFAOYSA-N 1 1 375.467 2.567 50 0 GFAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CC[NH+](C)CC3)no2)cc1 ZINC000022938355 570338823 /nfs/dbraw/zinc/33/88/23/570338823.db2.gz LWUYNNGWANCEQR-LJQANCHMSA-N 1 1 394.475 2.962 50 0 GFAAMO CCn1ccnc1CN1CC[N@@H+](Cc2ccc(OC)c(C)c2C)[C@@H](CCO)C1 ZINC000023373960 570357555 /nfs/dbraw/zinc/35/75/55/570357555.db2.gz FEQALAXBUNAZGR-FQEVSTJZSA-N 1 1 386.540 2.597 50 0 GFAAMO O=C(CCc1ccccc1)N1CC[NH+]([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036255766 570399221 /nfs/dbraw/zinc/39/92/21/570399221.db2.gz JZBCEZPLWTZLDN-QHCPKHFHSA-N 1 1 397.563 2.945 50 0 GFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000035598065 570400807 /nfs/dbraw/zinc/40/08/07/570400807.db2.gz MFQQATLUBVNUNW-UHFFFAOYSA-N 1 1 382.855 2.587 50 0 GFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H](C)OCc3ccccc3)CC2)c1 ZINC000025015785 570403386 /nfs/dbraw/zinc/40/33/86/570403386.db2.gz IISZYCMVCJVVCY-HXUWFJFHSA-N 1 1 381.520 2.839 50 0 GFAAMO COc1ccccc1N(CCC(N)=O)C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025359704 570412214 /nfs/dbraw/zinc/41/22/14/570412214.db2.gz YCXULDUFNPMAJQ-IBGZPJMESA-N 1 1 395.503 2.611 50 0 GFAAMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000054223018 570456820 /nfs/dbraw/zinc/45/68/20/570456820.db2.gz FKQGLFGRPLCIQQ-AEFFLSMTSA-N 1 1 378.538 2.686 50 0 GFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000054223018 570456823 /nfs/dbraw/zinc/45/68/23/570456823.db2.gz FKQGLFGRPLCIQQ-AEFFLSMTSA-N 1 1 378.538 2.686 50 0 GFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2ncc3c2-c2ccccc2OC3)C1 ZINC000006805268 570494097 /nfs/dbraw/zinc/49/40/97/570494097.db2.gz XEHZQECJAOSSKB-CALCHBBNSA-N 1 1 382.508 2.927 50 0 GFAAMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955381 570502305 /nfs/dbraw/zinc/50/23/05/570502305.db2.gz GIRFQWPQLCMSDA-UHFFFAOYSA-N 1 1 386.496 2.880 50 0 GFAAMO Cc1c(C)n(-c2ccc(C)cc2)c2ncn(CCC[NH+]3CCOCC3)c(=N)c12 ZINC000006672894 570529704 /nfs/dbraw/zinc/52/97/04/570529704.db2.gz VCSVSTXWWZIKMD-UHFFFAOYSA-N 1 1 379.508 2.954 50 0 GFAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1 ZINC000036097160 570535423 /nfs/dbraw/zinc/53/54/23/570535423.db2.gz SVSZBBAXOJANDK-IBGZPJMESA-N 1 1 389.492 2.982 50 0 GFAAMO CC(C)COC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C ZINC000036158960 570555213 /nfs/dbraw/zinc/55/52/13/570555213.db2.gz AUJFMNSFBCNLGR-CQSZACIVSA-N 1 1 393.553 2.717 50 0 GFAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C ZINC000036158960 570555221 /nfs/dbraw/zinc/55/52/21/570555221.db2.gz AUJFMNSFBCNLGR-CQSZACIVSA-N 1 1 393.553 2.717 50 0 GFAAMO Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000032971299 570556835 /nfs/dbraw/zinc/55/68/35/570556835.db2.gz CYWULMFQWGTDMS-UHFFFAOYSA-N 1 1 379.482 2.882 50 0 GFAAMO CC1(C)CC(NC(=O)c2nc[nH]c2C(=O)NC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000033003700 570617809 /nfs/dbraw/zinc/61/78/09/570617809.db2.gz DCEROJSZOWBBHI-UHFFFAOYSA-N 1 1 375.517 2.511 50 0 GFAAMO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000006881945 570677714 /nfs/dbraw/zinc/67/77/14/570677714.db2.gz ZJTGJOYXXQDLML-MRXNPFEDSA-N 1 1 393.553 2.840 50 0 GFAAMO O=C(C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)NCc1cccc(Cl)c1 ZINC000155814467 570687842 /nfs/dbraw/zinc/68/78/42/570687842.db2.gz MTVXQCZRBRZAHD-INIZCTEOSA-N 1 1 383.883 2.879 50 0 GFAAMO O=C(C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)NCc1cccc(Cl)c1 ZINC000155814467 570687843 /nfs/dbraw/zinc/68/78/43/570687843.db2.gz MTVXQCZRBRZAHD-INIZCTEOSA-N 1 1 383.883 2.879 50 0 GFAAMO CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+][C@@H](C)C3)C2)nc2ccccc21 ZINC000248167248 570721597 /nfs/dbraw/zinc/72/15/97/570721597.db2.gz PCYACDGZIRXIJM-ROUUACIJSA-N 1 1 383.540 2.650 50 0 GFAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000015144321 570782377 /nfs/dbraw/zinc/78/23/77/570782377.db2.gz GVFBAQZKFLLBBB-AWEZNQCLSA-N 1 1 399.447 2.635 50 0 GFAAMO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000069243620 570807154 /nfs/dbraw/zinc/80/71/54/570807154.db2.gz QRBUYQVICUGQFF-SFHVURJKSA-N 1 1 388.556 2.548 50 0 GFAAMO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000069243620 570807158 /nfs/dbraw/zinc/80/71/58/570807158.db2.gz QRBUYQVICUGQFF-SFHVURJKSA-N 1 1 388.556 2.548 50 0 GFAAMO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1=O ZINC000004687247 570831484 /nfs/dbraw/zinc/83/14/84/570831484.db2.gz CBYGOIXMIBWQRH-HKUYNNGSSA-N 1 1 387.524 2.880 50 0 GFAAMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000032809240 570831976 /nfs/dbraw/zinc/83/19/76/570831976.db2.gz FGQYNQZASCPXEE-NRFANRHFSA-N 1 1 399.539 2.645 50 0 GFAAMO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1cscn1)C2 ZINC000014538395 570848662 /nfs/dbraw/zinc/84/86/62/570848662.db2.gz NEHRWYASALPEJC-MRXNPFEDSA-N 1 1 387.553 2.882 50 0 GFAAMO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cscn1)C2 ZINC000014538395 570848665 /nfs/dbraw/zinc/84/86/65/570848665.db2.gz NEHRWYASALPEJC-MRXNPFEDSA-N 1 1 387.553 2.882 50 0 GFAAMO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012562699 570867123 /nfs/dbraw/zinc/86/71/23/570867123.db2.gz FPXYKMVLNQXSHR-QGZVFWFLSA-N 1 1 383.492 2.991 50 0 GFAAMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012562699 570867125 /nfs/dbraw/zinc/86/71/25/570867125.db2.gz FPXYKMVLNQXSHR-QGZVFWFLSA-N 1 1 383.492 2.991 50 0 GFAAMO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CC[NH+](C)CC2)o1 ZINC000022938366 570913364 /nfs/dbraw/zinc/91/33/64/570913364.db2.gz OZUDOPUBURRLGL-GOSISDBHSA-N 1 1 391.899 2.725 50 0 GFAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(F)c3)[nH+]c(C)n2)n1 ZINC000023144622 570919325 /nfs/dbraw/zinc/91/93/25/570919325.db2.gz KWHKIVJJFUNUGI-UHFFFAOYSA-N 1 1 383.431 2.960 50 0 GFAAMO FC(F)(F)c1ccc2nnc([C@H]3CCC[N@H+](CN4CCOC4=S)C3)n2c1 ZINC000032913341 570921011 /nfs/dbraw/zinc/92/10/11/570921011.db2.gz MRYSFPLWKHHRPV-NSHDSACASA-N 1 1 385.415 2.502 50 0 GFAAMO FC(F)(F)c1ccc2nnc([C@H]3CCC[N@@H+](CN4CCOC4=S)C3)n2c1 ZINC000032913341 570921013 /nfs/dbraw/zinc/92/10/13/570921013.db2.gz MRYSFPLWKHHRPV-NSHDSACASA-N 1 1 385.415 2.502 50 0 GFAAMO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1F)[NH+]1CCCC1 ZINC000047032292 570938415 /nfs/dbraw/zinc/93/84/15/570938415.db2.gz DKGPBYPZNQAPPB-QGZVFWFLSA-N 1 1 378.469 2.950 50 0 GFAAMO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000106630969 570966463 /nfs/dbraw/zinc/96/64/63/570966463.db2.gz IWNPOKCRHAQPAA-ZOCIIQOWSA-N 1 1 378.467 2.717 50 0 GFAAMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000252482623 570968077 /nfs/dbraw/zinc/96/80/77/570968077.db2.gz DLHWZOCCUNDBRL-FQEVSTJZSA-N 1 1 375.538 2.828 50 0 GFAAMO CCCC[N@@H+](CC)CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000004787802 570990410 /nfs/dbraw/zinc/99/04/10/570990410.db2.gz AATZSEQULIIDGK-UHFFFAOYSA-N 1 1 382.508 2.882 50 0 GFAAMO C[C@H](NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1cc2ccccc2o1 ZINC000045636543 570994244 /nfs/dbraw/zinc/99/42/44/570994244.db2.gz WPPFOHXLEKJQTI-JQHSSLGASA-N 1 1 387.480 2.530 50 0 GFAAMO Cc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cs1 ZINC000091351040 571004044 /nfs/dbraw/zinc/00/40/44/571004044.db2.gz DZCGNFYBNINZIE-FQEVSTJZSA-N 1 1 385.537 2.955 50 0 GFAAMO Cc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cs1 ZINC000091351040 571004046 /nfs/dbraw/zinc/00/40/46/571004046.db2.gz DZCGNFYBNINZIE-FQEVSTJZSA-N 1 1 385.537 2.955 50 0 GFAAMO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(OC)cc1F)CC2 ZINC000091326988 571004206 /nfs/dbraw/zinc/00/42/06/571004206.db2.gz CERVMGASRZYTIW-UHFFFAOYSA-N 1 1 386.471 2.843 50 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ZINC000091808200 571031280 /nfs/dbraw/zinc/03/12/80/571031280.db2.gz PKUCIWKKTROMLF-UHFFFAOYSA-N 1 1 380.492 2.836 50 0 GFAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1cn2ccsc2n1 ZINC000091871380 571034142 /nfs/dbraw/zinc/03/41/42/571034142.db2.gz KQHFUFDBFLWPKF-UHFFFAOYSA-N 1 1 384.509 2.671 50 0 GFAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)c1ccc(CO)cc1 ZINC000092037336 571042187 /nfs/dbraw/zinc/04/21/87/571042187.db2.gz MMERNJFBSCWDBW-UHFFFAOYSA-N 1 1 382.508 2.844 50 0 GFAAMO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000092065050 571043418 /nfs/dbraw/zinc/04/34/18/571043418.db2.gz FJZADPZBSHZESQ-NQIIRXRSSA-N 1 1 399.583 2.912 50 0 GFAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000092065050 571043421 /nfs/dbraw/zinc/04/34/21/571043421.db2.gz FJZADPZBSHZESQ-NQIIRXRSSA-N 1 1 399.583 2.912 50 0 GFAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCCN(Cc2ccccn2)CC1 ZINC000095353490 571050919 /nfs/dbraw/zinc/05/09/19/571050919.db2.gz 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