smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C[NH+]1CCCC1 ZINC000019575084 202012609 /nfs/dbraw/zinc/01/26/09/202012609.db2.gz WGLHMORYDHPQNY-XLIONFOSSA-N 2 1 343.515 2.960 40 0 EFABMP C[NH+](C)CCn1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc21 ZINC000019583289 202013115 /nfs/dbraw/zinc/01/31/15/202013115.db2.gz QUCYDMVADICKGL-SFHVURJKSA-N 2 1 349.482 2.982 40 0 EFABMP CC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000225798246 240231967 /nfs/dbraw/zinc/23/19/67/240231967.db2.gz FZTNILPKQWBBHC-LJQANCHMSA-N 2 1 331.504 2.886 40 0 EFABMP c1csc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253596937 244032130 /nfs/dbraw/zinc/03/21/30/244032130.db2.gz YHQPVYQVOWOHRO-FUHWJXTLSA-N 2 1 336.501 2.594 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000107738637 204245719 /nfs/dbraw/zinc/24/57/19/204245719.db2.gz WQGHIKMQBOWTSA-FUHWJXTLSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000107738637 204245722 /nfs/dbraw/zinc/24/57/22/204245722.db2.gz WQGHIKMQBOWTSA-FUHWJXTLSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000107738637 204245728 /nfs/dbraw/zinc/24/57/28/204245728.db2.gz WQGHIKMQBOWTSA-FUHWJXTLSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3cccs3)C2)O1 ZINC000107739531 204247469 /nfs/dbraw/zinc/24/74/69/204247469.db2.gz QPYBOZQNUNPMEE-WMZOPIPTSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3cccs3)C2)O1 ZINC000107739531 204247470 /nfs/dbraw/zinc/24/74/70/204247470.db2.gz QPYBOZQNUNPMEE-WMZOPIPTSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000107739531 204247476 /nfs/dbraw/zinc/24/74/76/204247476.db2.gz QPYBOZQNUNPMEE-WMZOPIPTSA-N 2 1 338.517 2.838 40 0 EFABMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000095416615 218355421 /nfs/dbraw/zinc/35/54/21/218355421.db2.gz VCBUIUFDCRSZQI-QGZVFWFLSA-N 2 1 339.487 2.696 40 0 EFABMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000096485962 218862393 /nfs/dbraw/zinc/86/23/93/218862393.db2.gz YJTPYTKLBLTKRT-UHFFFAOYSA-N 2 1 340.471 2.957 40 0 EFABMP CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079404668 276138824 /nfs/dbraw/zinc/13/88/24/276138824.db2.gz QISDJJMZIQYXSQ-MOPGFXCFSA-N 2 1 331.504 2.873 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415891 280272712 /nfs/dbraw/zinc/27/27/12/280272712.db2.gz YDKIQWRKZAIAAZ-OALUTQOASA-N 2 1 331.504 2.871 40 0 EFABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047973 473268387 /nfs/dbraw/zinc/26/83/87/473268387.db2.gz GHFCZYCTCSUJHM-SFHVURJKSA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048015 473269731 /nfs/dbraw/zinc/26/97/31/473269731.db2.gz RIFUSDVGRDOEIG-SFHVURJKSA-N 2 1 341.455 2.930 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000096051977 473276741 /nfs/dbraw/zinc/27/67/41/473276741.db2.gz WQGHIKMQBOWTSA-WMZOPIPTSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051977 473276744 /nfs/dbraw/zinc/27/67/44/473276744.db2.gz WQGHIKMQBOWTSA-WMZOPIPTSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051977 473276748 /nfs/dbraw/zinc/27/67/48/473276748.db2.gz WQGHIKMQBOWTSA-WMZOPIPTSA-N 2 1 338.517 2.696 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096055165 473278001 /nfs/dbraw/zinc/27/80/01/473278001.db2.gz SGCDWWBDNBSCNK-UYAOXDASSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096055165 473278003 /nfs/dbraw/zinc/27/80/03/473278003.db2.gz SGCDWWBDNBSCNK-UYAOXDASSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096055165 473278005 /nfs/dbraw/zinc/27/80/05/473278005.db2.gz SGCDWWBDNBSCNK-UYAOXDASSA-N 2 1 341.455 2.706 40 0 EFABMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278818 /nfs/dbraw/zinc/27/88/18/473278818.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 2 1 343.496 2.866 40 0 EFABMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278820 /nfs/dbraw/zinc/27/88/20/473278820.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 2 1 343.496 2.866 40 0 EFABMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278824 /nfs/dbraw/zinc/27/88/24/473278824.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 2 1 343.496 2.866 40 0 EFABMP CC(=O)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096064380 473286624 /nfs/dbraw/zinc/28/66/24/473286624.db2.gz WFGGOUAJDCEZMY-AOIWGVFYSA-N 2 1 347.528 2.655 40 0 EFABMP Cn1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC000096159271 473319553 /nfs/dbraw/zinc/31/95/53/473319553.db2.gz NQDYLNHRMKMGJC-UHFFFAOYSA-N 2 1 339.487 2.692 40 0 EFABMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccsc2)CC1 ZINC000096186310 473327274 /nfs/dbraw/zinc/32/72/74/473327274.db2.gz XTWHFYKAZMLESJ-QZTJIDSGSA-N 2 1 347.528 2.655 40 0 EFABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1cccs1)CC2 ZINC000096208111 473342168 /nfs/dbraw/zinc/34/21/68/473342168.db2.gz JUWUGLDCKSNFEM-INIZCTEOSA-N 2 1 338.517 2.697 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000096207550 473342213 /nfs/dbraw/zinc/34/22/13/473342213.db2.gz UWXJRVBHBIUJCM-QGZVFWFLSA-N 2 1 348.487 2.637 40 0 EFABMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC[NH+](C)C)CC2)s1 ZINC000096217719 473350652 /nfs/dbraw/zinc/35/06/52/473350652.db2.gz LOZJFBJOQQOODY-LJQANCHMSA-N 2 1 349.544 2.965 40 0 EFABMP Cc1cc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]23)cc(C)[nH+]1 ZINC000096219329 473351097 /nfs/dbraw/zinc/35/10/97/473351097.db2.gz ZWLXKGHFQKNBOQ-KFKAGJAMSA-N 2 1 327.428 2.552 40 0 EFABMP Cc1cccc(C)c1OCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000096407745 473385872 /nfs/dbraw/zinc/38/58/72/473385872.db2.gz NHIAWQGILCDSGU-HXUWFJFHSA-N 2 1 345.531 2.784 40 0 EFABMP Cc1cccc(C)c1OCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000096407745 473385874 /nfs/dbraw/zinc/38/58/74/473385874.db2.gz NHIAWQGILCDSGU-HXUWFJFHSA-N 2 1 345.531 2.784 40 0 EFABMP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@@H+]2Cc2ccccc2C)n1 ZINC000019760619 471984882 /nfs/dbraw/zinc/98/48/82/471984882.db2.gz HLNIEHCTRPBAMS-QGZVFWFLSA-N 2 1 325.460 2.883 40 0 EFABMP CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@H+]2Cc2ccccc2C)n1 ZINC000019760619 471984888 /nfs/dbraw/zinc/98/48/88/471984888.db2.gz HLNIEHCTRPBAMS-QGZVFWFLSA-N 2 1 325.460 2.883 40 0 EFABMP C[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000100766716 472528830 /nfs/dbraw/zinc/52/88/30/472528830.db2.gz QXKDSUKKYGIQQV-IZAXUBKRSA-N 2 1 343.515 2.875 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079415906 472861212 /nfs/dbraw/zinc/86/12/12/472861212.db2.gz PGZTWVKPUCIVAU-IBGZPJMESA-N 2 1 331.504 2.871 40 0 EFABMP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000195565165 474097793 /nfs/dbraw/zinc/09/77/93/474097793.db2.gz FFALTFDBBMBPCY-OSAGKFRWSA-N 2 1 343.515 2.934 40 0 EFABMP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000248063671 474253980 /nfs/dbraw/zinc/25/39/80/474253980.db2.gz QTWXDAAEOHVMCC-RBUKOAKNSA-N 2 1 336.476 2.678 40 0 EFABMP CC(C)[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306125516 474806377 /nfs/dbraw/zinc/80/63/77/474806377.db2.gz CTCCSUXJZMVWKL-UHFFFAOYSA-N 2 1 343.450 2.729 40 0 EFABMP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306125516 474806381 /nfs/dbraw/zinc/80/63/81/474806381.db2.gz CTCCSUXJZMVWKL-UHFFFAOYSA-N 2 1 343.450 2.729 40 0 EFABMP Cc1nnc2n1C1(CC[NH+](Cc3cccc(Cl)c3)CC1)C[N@H+](C)C2 ZINC000306125414 474807088 /nfs/dbraw/zinc/80/70/88/474807088.db2.gz CPQAJHGFHWGOIB-UHFFFAOYSA-N 2 1 345.878 2.677 40 0 EFABMP Cc1nnc2n1C1(CC[NH+](Cc3cccc(Cl)c3)CC1)C[N@@H+](C)C2 ZINC000306125414 474807097 /nfs/dbraw/zinc/80/70/97/474807097.db2.gz CPQAJHGFHWGOIB-UHFFFAOYSA-N 2 1 345.878 2.677 40 0 EFABMP CCC[NH+]1CCC([N@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135943 474809300 /nfs/dbraw/zinc/80/93/00/474809300.db2.gz PEZVVCFAXYMTME-VQIMIIECSA-N 2 1 342.487 2.709 40 0 EFABMP Cc1ccccc1O[C@@H]1CCC[C@H]([N@@H+](C)CC2CC[NH+](C)CC2)[C@H]1O ZINC000585289195 479309975 /nfs/dbraw/zinc/30/99/75/479309975.db2.gz NTLYBCBEPXLXBY-CEWLAPEOSA-N 2 1 346.515 2.929 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000585087350 546371449 /nfs/dbraw/zinc/37/14/49/546371449.db2.gz SIXQNRPVUQMNGQ-MISYRCLQSA-N 2 1 339.487 2.688 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000585087350 546371452 /nfs/dbraw/zinc/37/14/52/546371452.db2.gz SIXQNRPVUQMNGQ-MISYRCLQSA-N 2 1 339.487 2.688 40 0 EFABMP C[NH+](C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccncc3)C2(C)C)no1 ZINC000067889800 215242342 /nfs/dbraw/zinc/24/23/42/215242342.db2.gz FZLNKTGXPVPXIQ-QAPCUYQASA-N 2 1 328.460 2.878 40 0 biogenic,in-vitro EFABMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246633 244257192 /nfs/dbraw/zinc/25/71/92/244257192.db2.gz IVALTTRWCDBQDZ-MRXNPFEDSA-N 2 1 327.476 2.632 40 0 EFABMP CC[NH+]1CCC([N@H+]2CCC[C@@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246633 244257195 /nfs/dbraw/zinc/25/71/95/244257195.db2.gz IVALTTRWCDBQDZ-MRXNPFEDSA-N 2 1 327.476 2.632 40 0 EFABMP CC[NH+]1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020044672 212097202 /nfs/dbraw/zinc/09/72/02/212097202.db2.gz RAWYCXMLFRFNSZ-KRWDZBQOSA-N 2 1 329.488 2.696 40 0 EFABMP CC[NH+]1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020044672 212097205 /nfs/dbraw/zinc/09/72/05/212097205.db2.gz RAWYCXMLFRFNSZ-KRWDZBQOSA-N 2 1 329.488 2.696 40 0 EFABMP COc1c(C)cccc1C[N@@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019236002 212006698 /nfs/dbraw/zinc/00/66/98/212006698.db2.gz AZHHWFCDSFFWRR-GOSISDBHSA-N 2 1 338.455 2.776 40 0 EFABMP COc1c(C)cccc1C[N@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019236002 212006701 /nfs/dbraw/zinc/00/67/01/212006701.db2.gz AZHHWFCDSFFWRR-GOSISDBHSA-N 2 1 338.455 2.776 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404703 217220569 /nfs/dbraw/zinc/22/05/69/217220569.db2.gz PUAWULFUHJTPSI-MOPGFXCFSA-N 2 1 331.504 2.729 40 0 EFABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000079415839 217223844 /nfs/dbraw/zinc/22/38/44/217223844.db2.gz PCRUDJRGQDKPHN-OALUTQOASA-N 2 1 331.504 2.873 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048014 473270075 /nfs/dbraw/zinc/27/00/75/473270075.db2.gz RIFUSDVGRDOEIG-GOSISDBHSA-N 2 1 341.455 2.930 40 0 EFABMP c1csc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052325 473275681 /nfs/dbraw/zinc/27/56/81/473275681.db2.gz YHQPVYQVOWOHRO-AEFFLSMTSA-N 2 1 336.501 2.594 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000096051979 473275757 /nfs/dbraw/zinc/27/57/57/473275757.db2.gz JIPAKPKOORNZOM-ROUUACIJSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051979 473275765 /nfs/dbraw/zinc/27/57/65/473275765.db2.gz JIPAKPKOORNZOM-ROUUACIJSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051979 473275771 /nfs/dbraw/zinc/27/57/71/473275771.db2.gz JIPAKPKOORNZOM-ROUUACIJSA-N 2 1 338.517 2.696 40 0 EFABMP C[N@H+](C[C@H]1CO[C@@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000096075659 473291706 /nfs/dbraw/zinc/29/17/06/473291706.db2.gz TVWAYTZYFNSRCF-HNAYVOBHSA-N 2 1 333.451 2.686 40 0 EFABMP C[N@@H+](C[C@H]1CO[C@@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000096075659 473291715 /nfs/dbraw/zinc/29/17/15/473291715.db2.gz TVWAYTZYFNSRCF-HNAYVOBHSA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccncc1F)C2)C1CC1 ZINC000096075659 473291717 /nfs/dbraw/zinc/29/17/17/473291717.db2.gz TVWAYTZYFNSRCF-HNAYVOBHSA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccncc1F)C2)C1CC1 ZINC000096075659 473291723 /nfs/dbraw/zinc/29/17/23/473291723.db2.gz TVWAYTZYFNSRCF-HNAYVOBHSA-N 2 1 333.451 2.686 40 0 EFABMP Cn1cc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccccn4)C3)CC2)cn1 ZINC000096158494 473318882 /nfs/dbraw/zinc/31/88/82/473318882.db2.gz KLEUFWFOQDXKPM-UHFFFAOYSA-N 2 1 339.487 2.693 40 0 EFABMP C[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096208162 473343396 /nfs/dbraw/zinc/34/33/96/473343396.db2.gz MRVARIQBDDCYCG-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[C@H](COCC4CC4)[N@H+](C)C3)CC2)no1 ZINC000096206396 473340605 /nfs/dbraw/zinc/34/06/05/473340605.db2.gz ULOCGRWIRWZIGG-GOSISDBHSA-N 2 1 333.476 2.696 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)no1 ZINC000096206396 473340611 /nfs/dbraw/zinc/34/06/11/473340611.db2.gz ULOCGRWIRWZIGG-GOSISDBHSA-N 2 1 333.476 2.696 40 0 EFABMP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000096219901 473353532 /nfs/dbraw/zinc/35/35/32/473353532.db2.gz QCIHNZJPPNJGQP-YLJYHZDGSA-N 2 1 325.456 2.635 40 0 EFABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000096219901 473353538 /nfs/dbraw/zinc/35/35/38/473353538.db2.gz QCIHNZJPPNJGQP-YLJYHZDGSA-N 2 1 325.456 2.635 40 0 EFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096219901 473353546 /nfs/dbraw/zinc/35/35/46/473353546.db2.gz QCIHNZJPPNJGQP-YLJYHZDGSA-N 2 1 325.456 2.635 40 0 EFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096219901 473353551 /nfs/dbraw/zinc/35/35/51/473353551.db2.gz QCIHNZJPPNJGQP-YLJYHZDGSA-N 2 1 325.456 2.635 40 0 EFABMP C[NH+](C)CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096229854 473359782 /nfs/dbraw/zinc/35/97/82/473359782.db2.gz YKRHNFJTSOWWDU-SFHVURJKSA-N 2 1 335.517 2.657 40 0 EFABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000044908122 472351597 /nfs/dbraw/zinc/35/15/97/472351597.db2.gz CNGTYDDPRNNWNX-UHFFFAOYSA-N 2 1 340.471 2.846 40 0 EFABMP COc1cccc([C@@H]2[C@@H](NC3CC[NH+](C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000157041273 472778525 /nfs/dbraw/zinc/77/85/25/472778525.db2.gz DILBIQPHBVSQLP-VQTJNVASSA-N 2 1 329.488 2.657 40 0 EFABMP COc1cccc([C@@H]2[C@@H](NC3CC[NH+](C)CC3)CC[N@H+]2C2CC2)c1 ZINC000157041273 472778530 /nfs/dbraw/zinc/77/85/30/472778530.db2.gz DILBIQPHBVSQLP-VQTJNVASSA-N 2 1 329.488 2.657 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000079404696 472860312 /nfs/dbraw/zinc/86/03/12/472860312.db2.gz DVJZTSQKUMMMOB-MOPGFXCFSA-N 2 1 331.504 2.871 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3cccs3)C2)O1 ZINC000107739535 472980235 /nfs/dbraw/zinc/98/02/35/472980235.db2.gz QPYBOZQNUNPMEE-AEFFLSMTSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3cccs3)C2)O1 ZINC000107739535 472980241 /nfs/dbraw/zinc/98/02/41/472980241.db2.gz QPYBOZQNUNPMEE-AEFFLSMTSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000107739535 472980247 /nfs/dbraw/zinc/98/02/47/472980247.db2.gz QPYBOZQNUNPMEE-AEFFLSMTSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000107738633 472980376 /nfs/dbraw/zinc/98/03/76/472980376.db2.gz WQGHIKMQBOWTSA-SJLPKXTDSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000107738633 472980383 /nfs/dbraw/zinc/98/03/83/472980383.db2.gz WQGHIKMQBOWTSA-SJLPKXTDSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000107738633 472980389 /nfs/dbraw/zinc/98/03/89/472980389.db2.gz WQGHIKMQBOWTSA-SJLPKXTDSA-N 2 1 338.517 2.696 40 0 EFABMP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)s1 ZINC000107747126 472980699 /nfs/dbraw/zinc/98/06/99/472980699.db2.gz HEYIOBUAGCPJTH-RYQLBKOJSA-N 2 1 338.517 2.614 40 0 EFABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC000113947161 473427528 /nfs/dbraw/zinc/42/75/28/473427528.db2.gz URRSPSUWLKRYOF-MRXNPFEDSA-N 2 1 329.488 2.743 40 0 EFABMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000096485960 473445125 /nfs/dbraw/zinc/44/51/25/473445125.db2.gz BINBEMNIZBJOAO-KRWDZBQOSA-N 2 1 332.492 2.743 40 0 EFABMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000096485960 473445131 /nfs/dbraw/zinc/44/51/31/473445131.db2.gz BINBEMNIZBJOAO-KRWDZBQOSA-N 2 1 332.492 2.743 40 0 EFABMP Cc1cccc(C[N@H+]2C[C@H](COCC3CC3)C3(C2)CC[NH2+]CC3)n1 ZINC000247894046 474222216 /nfs/dbraw/zinc/22/22/16/474222216.db2.gz WSFJQLAZPKHWBY-GOSISDBHSA-N 2 1 329.488 2.618 40 0 EFABMP C[N@H+](C[C@@H]1CO[C@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000248074190 474256159 /nfs/dbraw/zinc/25/61/59/474256159.db2.gz TVWAYTZYFNSRCF-BEFAXECRSA-N 2 1 333.451 2.686 40 0 EFABMP C[N@@H+](C[C@@H]1CO[C@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000248074190 474256164 /nfs/dbraw/zinc/25/61/64/474256164.db2.gz TVWAYTZYFNSRCF-BEFAXECRSA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1F)C2)C1CC1 ZINC000248074190 474256172 /nfs/dbraw/zinc/25/61/72/474256172.db2.gz TVWAYTZYFNSRCF-BEFAXECRSA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccncc1F)C2)C1CC1 ZINC000248074190 474256179 /nfs/dbraw/zinc/25/61/79/474256179.db2.gz TVWAYTZYFNSRCF-BEFAXECRSA-N 2 1 333.451 2.686 40 0 EFABMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)C(F)(F)F ZINC000230471800 474260934 /nfs/dbraw/zinc/26/09/34/474260934.db2.gz FXWDRVDOODGFDE-NFAWXSAZSA-N 2 1 330.394 2.656 40 0 EFABMP C[N@H+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000248140263 474268564 /nfs/dbraw/zinc/26/85/64/474268564.db2.gz SZDRMCRURFKQDV-MJGOQNOKSA-N 2 1 327.428 2.540 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000248140263 474268569 /nfs/dbraw/zinc/26/85/69/474268569.db2.gz SZDRMCRURFKQDV-MJGOQNOKSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000248140263 474268574 /nfs/dbraw/zinc/26/85/74/474268574.db2.gz SZDRMCRURFKQDV-MJGOQNOKSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000248140263 474268580 /nfs/dbraw/zinc/26/85/80/474268580.db2.gz SZDRMCRURFKQDV-MJGOQNOKSA-N 2 1 327.428 2.540 40 0 EFABMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000252539127 474695795 /nfs/dbraw/zinc/69/57/95/474695795.db2.gz NSYMQKMCAVPJLY-FQBWVUSXSA-N 2 1 338.536 2.917 40 0 EFABMP c1cc2n(n1)C[C@H](CC[NH+]1CCCCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253477375 474761375 /nfs/dbraw/zinc/76/13/75/474761375.db2.gz FKJGJVJHNLEPLC-LJQANCHMSA-N 2 1 346.519 2.618 40 0 EFABMP [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000257319082 474951530 /nfs/dbraw/zinc/95/15/30/474951530.db2.gz VQPTXBUFOPJWRI-MISYRCLQSA-N 2 1 343.515 2.780 40 0 EFABMP OC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000363556623 476436431 /nfs/dbraw/zinc/43/64/31/476436431.db2.gz KRMHYKSASKWPAH-UHFFFAOYSA-N 2 1 336.479 2.771 40 0 EFABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585103366 479284939 /nfs/dbraw/zinc/28/49/39/479284939.db2.gz OOZVTQPHZZDIDT-KRWDZBQOSA-N 2 1 348.487 2.619 40 0 EFABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000585103927 479285162 /nfs/dbraw/zinc/28/51/62/479285162.db2.gz UCYHUELTSFPQQH-IBGZPJMESA-N 2 1 329.488 2.652 40 0 EFABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000585104124 479286559 /nfs/dbraw/zinc/28/65/59/479286559.db2.gz WRQCPHDNKOVNAT-KRWDZBQOSA-N 2 1 338.517 2.555 40 0 EFABMP C[NH+](C)CCc1ccc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)cc1 ZINC000585141210 479299071 /nfs/dbraw/zinc/29/90/71/479299071.db2.gz RATMKWDSPJBQQS-SFHVURJKSA-N 2 1 341.459 2.533 40 0 EFABMP C[NH+](C)CCc1ccc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)cc1 ZINC000585141210 479299080 /nfs/dbraw/zinc/29/90/80/479299080.db2.gz RATMKWDSPJBQQS-SFHVURJKSA-N 2 1 341.459 2.533 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087351 546371540 /nfs/dbraw/zinc/37/15/40/546371540.db2.gz SIXQNRPVUQMNGQ-YSIASYRMSA-N 2 1 339.487 2.688 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087351 546371544 /nfs/dbraw/zinc/37/15/44/546371544.db2.gz SIXQNRPVUQMNGQ-YSIASYRMSA-N 2 1 339.487 2.688 40 0 EFABMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000225586105 564149862 /nfs/dbraw/zinc/14/98/62/564149862.db2.gz NSYMQKMCAVPJLY-GFEQUFNTSA-N 2 1 338.536 2.917 40 0 EFABMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccsc1)CC2 ZINC000675009195 1099619649 /nfs/dbraw/zinc/61/96/49/1099619649.db2.gz AXHMYDSWEGVZHG-QGZVFWFLSA-N 2 1 347.528 2.657 40 0 EFABMP Cc1cc(N(C)C2CC[NH+](CCc3ccccn3)CC2)nc(C)[nH+]1 ZINC000132125800 223303370 /nfs/dbraw/zinc/30/33/70/223303370.db2.gz RMYQZBKQZKVSJA-UHFFFAOYSA-N 2 1 325.460 2.632 40 0 EFABMP COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019570640 212044257 /nfs/dbraw/zinc/04/42/57/212044257.db2.gz VRTPOAGPMHAVGC-OAHLLOKOSA-N 2 1 338.455 2.511 40 0 EFABMP COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019570640 212044254 /nfs/dbraw/zinc/04/42/54/212044254.db2.gz VRTPOAGPMHAVGC-OAHLLOKOSA-N 2 1 338.455 2.511 40 0 EFABMP Cc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019234939 212007759 /nfs/dbraw/zinc/00/77/59/212007759.db2.gz XOQGMTJPZQUJCD-QGZVFWFLSA-N 2 1 335.455 2.688 40 0 EFABMP CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079404677 217219924 /nfs/dbraw/zinc/21/99/24/217219924.db2.gz MNCLUTOJRFGRIY-OALUTQOASA-N 2 1 331.504 2.730 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415902 217222825 /nfs/dbraw/zinc/22/28/25/217222825.db2.gz RPBSGBNOOGDURV-MOPGFXCFSA-N 2 1 331.504 2.871 40 0 EFABMP COCC[NH+]1CCC2(C[C@H]([NH+]3CCOCC3)c3cc(C)ccc32)CC1 ZINC000096241778 277219900 /nfs/dbraw/zinc/21/99/00/277219900.db2.gz AMBDXJMHGMOLNZ-FQEVSTJZSA-N 2 1 344.499 2.752 40 0 EFABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047972 473268936 /nfs/dbraw/zinc/26/89/36/473268936.db2.gz GHFCZYCTCSUJHM-GOSISDBHSA-N 2 1 341.455 2.930 40 0 EFABMP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055161 473277922 /nfs/dbraw/zinc/27/79/22/473277922.db2.gz IUORXDZPHVOVBO-IEBWSBKVSA-N 2 1 343.496 2.866 40 0 EFABMP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055161 473277928 /nfs/dbraw/zinc/27/79/28/473277928.db2.gz IUORXDZPHVOVBO-IEBWSBKVSA-N 2 1 343.496 2.866 40 0 EFABMP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055161 473277935 /nfs/dbraw/zinc/27/79/35/473277935.db2.gz IUORXDZPHVOVBO-IEBWSBKVSA-N 2 1 343.496 2.866 40 0 EFABMP Cc1ccc(C[N@@H+]2CCCC3(CCN(C(=O)C[NH+](C)C)CC3)C2)cc1 ZINC000096063023 473287276 /nfs/dbraw/zinc/28/72/76/473287276.db2.gz KUPZAGVVKYHDSQ-UHFFFAOYSA-N 2 1 343.515 2.761 40 0 EFABMP CC[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cncn1C)c1ccccc1O2 ZINC000096079754 473291313 /nfs/dbraw/zinc/29/13/13/473291313.db2.gz LJNAWVXYPWOKLI-SFHVURJKSA-N 2 1 340.471 2.888 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C)C2)s1 ZINC000096185670 473326055 /nfs/dbraw/zinc/32/60/55/473326055.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 2 1 330.501 2.848 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C)C2)s1 ZINC000096185670 473326060 /nfs/dbraw/zinc/32/60/60/473326060.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 2 1 330.501 2.848 40 0 EFABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C)C2)s1 ZINC000096185670 473326067 /nfs/dbraw/zinc/32/60/67/473326067.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 2 1 330.501 2.848 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C)C2)s1 ZINC000096185670 473326074 /nfs/dbraw/zinc/32/60/74/473326074.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 2 1 330.501 2.848 40 0 EFABMP C[N@@H+]1[C@@H](COCC2CC2)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096206778 473340558 /nfs/dbraw/zinc/34/05/58/473340558.db2.gz CDTOBHZCEGTWOH-LJQANCHMSA-N 2 1 329.488 2.937 40 0 EFABMP C[N@H+]1[C@@H](COCC2CC2)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096206778 473340564 /nfs/dbraw/zinc/34/05/64/473340564.db2.gz CDTOBHZCEGTWOH-LJQANCHMSA-N 2 1 329.488 2.937 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](C1CCC1)CC2 ZINC000096208487 473345433 /nfs/dbraw/zinc/34/54/33/473345433.db2.gz HVPBOBLZTZFGDF-LJQANCHMSA-N 2 1 329.488 2.937 40 0 EFABMP C[NH+](C)CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccsc1)CC2 ZINC000096217708 473350347 /nfs/dbraw/zinc/35/03/47/473350347.db2.gz KWPAQPXNCUCIIY-SFHVURJKSA-N 2 1 335.517 2.657 40 0 EFABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096220602 473354549 /nfs/dbraw/zinc/35/45/49/473354549.db2.gz JPFPAFMVCXCLNA-ICSRJNTNSA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096220602 473354556 /nfs/dbraw/zinc/35/45/56/473354556.db2.gz JPFPAFMVCXCLNA-ICSRJNTNSA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096220602 473354563 /nfs/dbraw/zinc/35/45/63/473354563.db2.gz JPFPAFMVCXCLNA-ICSRJNTNSA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096220602 473354569 /nfs/dbraw/zinc/35/45/69/473354569.db2.gz JPFPAFMVCXCLNA-ICSRJNTNSA-N 2 1 329.488 2.570 40 0 EFABMP COCC[NH+]1CCC2(C[C@H]([NH+]3CCOCC3)c3ccc(C)cc32)CC1 ZINC000096241753 473361840 /nfs/dbraw/zinc/36/18/40/473361840.db2.gz LTSPMIKKGKMSIY-FQEVSTJZSA-N 2 1 344.499 2.752 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1CC1)CC2 ZINC000096240342 473361858 /nfs/dbraw/zinc/36/18/58/473361858.db2.gz XYCRGGPYCUCEGF-MRXNPFEDSA-N 2 1 335.517 2.856 40 0 EFABMP O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508784 472860294 /nfs/dbraw/zinc/86/02/94/472860294.db2.gz VYJQTKNMWZWNOH-UHFFFAOYSA-N 2 1 345.462 2.533 40 0 EFABMP O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508784 472860304 /nfs/dbraw/zinc/86/03/04/472860304.db2.gz VYJQTKNMWZWNOH-UHFFFAOYSA-N 2 1 345.462 2.533 40 0 EFABMP O=C(C[N@H+](Cc1ccco1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508672 472860533 /nfs/dbraw/zinc/86/05/33/472860533.db2.gz ZVOJHVVKMKTMAT-UHFFFAOYSA-N 2 1 345.487 2.767 40 0 EFABMP O=C(C[N@@H+](Cc1ccco1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508672 472860542 /nfs/dbraw/zinc/86/05/42/472860542.db2.gz ZVOJHVVKMKTMAT-UHFFFAOYSA-N 2 1 345.487 2.767 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738797 472980126 /nfs/dbraw/zinc/98/01/26/472980126.db2.gz UBJDVHBBLSDMBF-AZUAARDMSA-N 2 1 348.462 2.529 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738797 472980129 /nfs/dbraw/zinc/98/01/29/472980129.db2.gz UBJDVHBBLSDMBF-AZUAARDMSA-N 2 1 348.462 2.529 40 0 EFABMP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192007040 473604105 /nfs/dbraw/zinc/60/41/05/473604105.db2.gz GOQWGOBXIURQQO-GOSISDBHSA-N 2 1 338.455 2.628 40 0 EFABMP COCC[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCC1)CC2 ZINC000247896370 474222442 /nfs/dbraw/zinc/22/24/42/474222442.db2.gz UXUGYURLLIEADA-GOSISDBHSA-N 2 1 336.520 2.626 40 0 EFABMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000252585081 474699731 /nfs/dbraw/zinc/69/97/31/474699731.db2.gz FXWDRVDOODGFDE-CLWVCHIJSA-N 2 1 330.394 2.656 40 0 EFABMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000252585081 474699737 /nfs/dbraw/zinc/69/97/37/474699737.db2.gz FXWDRVDOODGFDE-CLWVCHIJSA-N 2 1 330.394 2.656 40 0 EFABMP CCN1CC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370729 474727708 /nfs/dbraw/zinc/72/77/08/474727708.db2.gz VGCPTLVXNDXEMQ-FUHWJXTLSA-N 2 1 341.421 2.923 40 0 EFABMP CC(C)CC[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306136355 474809548 /nfs/dbraw/zinc/80/95/48/474809548.db2.gz PQZCOLBXYGTYEQ-UHFFFAOYSA-N 2 1 343.475 2.821 40 0 EFABMP CC(C)CC[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306136355 474809555 /nfs/dbraw/zinc/80/95/55/474809555.db2.gz PQZCOLBXYGTYEQ-UHFFFAOYSA-N 2 1 343.475 2.821 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809910 /nfs/dbraw/zinc/80/99/10/474809910.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 2 1 346.450 2.758 40 0 EFABMP Cc1ccc(CN2CC[C@@H](F)[C@@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809918 /nfs/dbraw/zinc/80/99/18/474809918.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 2 1 346.450 2.758 40 0 EFABMP Cc1ccc(CN2CC[C@@H](F)[C@@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135412 474809928 /nfs/dbraw/zinc/80/99/28/474809928.db2.gz OQAPZIMNYAKCNM-MOPGFXCFSA-N 2 1 346.450 2.758 40 0 EFABMP C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCOCC3)CC2)nn1C ZINC000257343253 474965584 /nfs/dbraw/zinc/96/55/84/474965584.db2.gz ZSDOIEQHUBYTOL-WKILWMFISA-N 2 1 334.508 2.524 40 0 EFABMP C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585141154 479299331 /nfs/dbraw/zinc/29/93/31/479299331.db2.gz QKYRMNRCSUVWMN-NEPJUHHUSA-N 2 1 341.440 2.836 40 0 EFABMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(O)cc2)c2cccs2)CC1 ZINC000023248973 212363610 /nfs/dbraw/zinc/36/36/10/212363610.db2.gz JNDVVBAJWWJHPX-KRWDZBQOSA-N 2 1 331.485 2.532 40 0 EFABMP COc1cccc(CNc2cc(CC3CC[NH2+]CC3)[nH+]c(C)n2)c1 ZINC000257269855 244374660 /nfs/dbraw/zinc/37/46/60/244374660.db2.gz MRRBACCZDICXHH-UHFFFAOYSA-N 2 1 326.444 2.948 40 0 EFABMP C[NH+](C)CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc21 ZINC000019583286 212047195 /nfs/dbraw/zinc/04/71/95/212047195.db2.gz QUCYDMVADICKGL-GOSISDBHSA-N 2 1 349.482 2.982 40 0 EFABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019348812 212019782 /nfs/dbraw/zinc/01/97/82/212019782.db2.gz BDVCVMNQANAKFH-HNNXBMFYSA-N 2 1 339.418 2.519 40 0 EFABMP C[N@H+]1CCCN(Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1 ZINC000078553024 217074076 /nfs/dbraw/zinc/07/40/76/217074076.db2.gz GGNMATDDKXCIFB-UHFFFAOYSA-N 2 1 339.483 2.820 40 0 EFABMP CN1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1 ZINC000078553024 217074079 /nfs/dbraw/zinc/07/40/79/217074079.db2.gz GGNMATDDKXCIFB-UHFFFAOYSA-N 2 1 339.483 2.820 40 0 EFABMP CN1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(O)c3)cc2)CC1 ZINC000078553024 217074081 /nfs/dbraw/zinc/07/40/81/217074081.db2.gz GGNMATDDKXCIFB-UHFFFAOYSA-N 2 1 339.483 2.820 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404711 217219975 /nfs/dbraw/zinc/21/99/75/217219975.db2.gz OJCKWVXKICVMSX-MOPGFXCFSA-N 2 1 331.504 2.871 40 0 EFABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079415865 217223834 /nfs/dbraw/zinc/22/38/34/217223834.db2.gz JEBVIFPSNAJBGS-OTWHNJEPSA-N 2 1 331.504 2.919 40 0 EFABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000079415871 217223323 /nfs/dbraw/zinc/22/33/23/217223323.db2.gz JEBVIFPSNAJBGS-FHWLQOOXSA-N 2 1 331.504 2.919 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415895 217223462 /nfs/dbraw/zinc/22/34/62/217223462.db2.gz JTIAEFDCMSYPFH-OALUTQOASA-N 2 1 331.504 2.729 40 0 EFABMP CCN1CC[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123696474 323216489 /nfs/dbraw/zinc/21/64/89/323216489.db2.gz VGCPTLVXNDXEMQ-WMZOPIPTSA-N 2 1 341.421 2.923 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000096051980 473275225 /nfs/dbraw/zinc/27/52/25/473275225.db2.gz JIPAKPKOORNZOM-MSOLQXFVSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051980 473275232 /nfs/dbraw/zinc/27/52/32/473275232.db2.gz JIPAKPKOORNZOM-MSOLQXFVSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051980 473275236 /nfs/dbraw/zinc/27/52/36/473275236.db2.gz JIPAKPKOORNZOM-MSOLQXFVSA-N 2 1 338.517 2.696 40 0 EFABMP Cn1cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000096158675 473318176 /nfs/dbraw/zinc/31/81/76/473318176.db2.gz RFBWHFHTJMMWPG-SFHVURJKSA-N 2 1 343.471 2.874 40 0 EFABMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[NH+](C)Cc2ccncc2)cn1 ZINC000096183082 473324405 /nfs/dbraw/zinc/32/44/05/473324405.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[NH+](C)Cc2ccncc2)cn1 ZINC000096183082 473324410 /nfs/dbraw/zinc/32/44/10/473324410.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@H+](C)Cc2ccncc2)cn1 ZINC000096183082 473324420 /nfs/dbraw/zinc/32/44/20/473324420.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@@H+](C)Cc2ccncc2)cn1 ZINC000096183082 473324424 /nfs/dbraw/zinc/32/44/24/473324424.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccncc2)cn1 ZINC000096183085 473325011 /nfs/dbraw/zinc/32/50/11/473325011.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccncc2)cn1 ZINC000096183085 473325012 /nfs/dbraw/zinc/32/50/12/473325012.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2ccncc2)cn1 ZINC000096183085 473325016 /nfs/dbraw/zinc/32/50/16/473325016.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2ccncc2)cn1 ZINC000096183085 473325021 /nfs/dbraw/zinc/32/50/21/473325021.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)O2)CC1 ZINC000096207510 473343121 /nfs/dbraw/zinc/34/31/21/473343121.db2.gz MJOOPPGFJDCGGB-RTBURBONSA-N 2 1 349.544 2.509 40 0 EFABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1cccs1)CC2 ZINC000096208110 473343190 /nfs/dbraw/zinc/34/31/90/473343190.db2.gz JUWUGLDCKSNFEM-MRXNPFEDSA-N 2 1 338.517 2.697 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[C@@H](COCC4CC4)[N@H+](C)C3)CC2)no1 ZINC000096206397 473341411 /nfs/dbraw/zinc/34/14/11/473341411.db2.gz ULOCGRWIRWZIGG-SFHVURJKSA-N 2 1 333.476 2.696 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[C@@H](COCC4CC4)[N@@H+](C)C3)CC2)no1 ZINC000096206397 473341419 /nfs/dbraw/zinc/34/14/19/473341419.db2.gz ULOCGRWIRWZIGG-SFHVURJKSA-N 2 1 333.476 2.696 40 0 EFABMP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000096217919 473350499 /nfs/dbraw/zinc/35/04/99/473350499.db2.gz QCIHNZJPPNJGQP-FXAWDEMLSA-N 2 1 325.456 2.635 40 0 EFABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1ccc3ccccc3n1)C2 ZINC000096217919 473350503 /nfs/dbraw/zinc/35/05/03/473350503.db2.gz QCIHNZJPPNJGQP-FXAWDEMLSA-N 2 1 325.456 2.635 40 0 EFABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000096217919 473350510 /nfs/dbraw/zinc/35/05/10/473350510.db2.gz QCIHNZJPPNJGQP-FXAWDEMLSA-N 2 1 325.456 2.635 40 0 EFABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000096217919 473350513 /nfs/dbraw/zinc/35/05/13/473350513.db2.gz QCIHNZJPPNJGQP-FXAWDEMLSA-N 2 1 325.456 2.635 40 0 EFABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OC ZINC000008253592 471674858 /nfs/dbraw/zinc/67/48/58/471674858.db2.gz MXQNKDUQDAOZRU-UHFFFAOYSA-N 2 1 331.254 2.556 40 0 EFABMP Cc1cccc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[nH+]1 ZINC000097096534 472444541 /nfs/dbraw/zinc/44/45/41/472444541.db2.gz GTWMWGDNWGAMFG-SFHVURJKSA-N 2 1 338.455 2.699 40 0 EFABMP Cc1cccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[nH+]1 ZINC000097096534 472444548 /nfs/dbraw/zinc/44/45/48/472444548.db2.gz GTWMWGDNWGAMFG-SFHVURJKSA-N 2 1 338.455 2.699 40 0 EFABMP C[N@@H+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[NH+](C3CCOCC3)C[C@@H]21 ZINC000107197531 472932508 /nfs/dbraw/zinc/93/25/08/472932508.db2.gz YOYZGQQPDOCDEE-HOJAQTOUSA-N 2 1 329.488 2.793 40 0 EFABMP C[NH+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]21 ZINC000107197531 472932514 /nfs/dbraw/zinc/93/25/14/472932514.db2.gz YOYZGQQPDOCDEE-HOJAQTOUSA-N 2 1 329.488 2.793 40 0 EFABMP C[NH+](Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]21 ZINC000107197531 472932521 /nfs/dbraw/zinc/93/25/21/472932521.db2.gz YOYZGQQPDOCDEE-HOJAQTOUSA-N 2 1 329.488 2.793 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000107738641 472980009 /nfs/dbraw/zinc/98/00/09/472980009.db2.gz JIPAKPKOORNZOM-QZTJIDSGSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000107738641 472980012 /nfs/dbraw/zinc/98/00/12/472980012.db2.gz JIPAKPKOORNZOM-QZTJIDSGSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000107738641 472980020 /nfs/dbraw/zinc/98/00/20/472980020.db2.gz JIPAKPKOORNZOM-QZTJIDSGSA-N 2 1 338.517 2.696 40 0 EFABMP Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000107738658 472980783 /nfs/dbraw/zinc/98/07/83/472980783.db2.gz YIMMSJKPSSVFQZ-PKOBYXMFSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000107738658 472980789 /nfs/dbraw/zinc/98/07/89/472980789.db2.gz YIMMSJKPSSVFQZ-PKOBYXMFSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000107738658 472980794 /nfs/dbraw/zinc/98/07/94/472980794.db2.gz YIMMSJKPSSVFQZ-PKOBYXMFSA-N 2 1 336.476 2.536 40 0 EFABMP CCOc1ncccc1CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246847665 473982925 /nfs/dbraw/zinc/98/29/25/473982925.db2.gz CLFIDMRHBRIWGB-APWZRJJASA-N 2 1 340.471 2.876 40 0 EFABMP CCOc1ncccc1CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246847665 473982931 /nfs/dbraw/zinc/98/29/31/473982931.db2.gz CLFIDMRHBRIWGB-APWZRJJASA-N 2 1 340.471 2.876 40 0 EFABMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000195560495 474095624 /nfs/dbraw/zinc/09/56/24/474095624.db2.gz FCMVQVZPQRVGQH-VQTJNVASSA-N 2 1 343.515 2.671 40 0 EFABMP C[N@H+]1CCC[C@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260171 /nfs/dbraw/zinc/26/01/71/474260171.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 3 1 349.563 2.685 40 0 EFABMP C[NH+]1CCC[C@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260175 /nfs/dbraw/zinc/26/01/75/474260175.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 3 1 349.563 2.685 40 0 EFABMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2n1 ZINC000252487181 474672586 /nfs/dbraw/zinc/67/25/86/474672586.db2.gz UEZXKOOTGCJAOX-WMLDXEAASA-N 2 1 348.454 2.930 40 0 EFABMP C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2n1 ZINC000252487181 474672592 /nfs/dbraw/zinc/67/25/92/474672592.db2.gz UEZXKOOTGCJAOX-WMLDXEAASA-N 2 1 348.454 2.930 40 0 EFABMP C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585141157 479298734 /nfs/dbraw/zinc/29/87/34/479298734.db2.gz QKYRMNRCSUVWMN-NWDGAFQWSA-N 2 1 341.440 2.836 40 0 EFABMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000585272914 479305010 /nfs/dbraw/zinc/30/50/10/479305010.db2.gz NITZVHDXTYDNGZ-HXUWFJFHSA-N 2 1 328.456 2.792 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087352 546371329 /nfs/dbraw/zinc/37/13/29/546371329.db2.gz SIXQNRPVUQMNGQ-YZGWKJHDSA-N 2 1 339.487 2.688 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087352 546371335 /nfs/dbraw/zinc/37/13/35/546371335.db2.gz SIXQNRPVUQMNGQ-YZGWKJHDSA-N 2 1 339.487 2.688 40 0 EFABMP COc1c(C)cccc1C[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019236001 202001012 /nfs/dbraw/zinc/00/10/12/202001012.db2.gz AZHHWFCDSFFWRR-SFHVURJKSA-N 2 1 338.455 2.776 40 0 EFABMP COc1c(C)cccc1C[N@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019236001 202001016 /nfs/dbraw/zinc/00/10/16/202001016.db2.gz AZHHWFCDSFFWRR-SFHVURJKSA-N 2 1 338.455 2.776 40 0 EFABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019348810 202006331 /nfs/dbraw/zinc/00/63/31/202006331.db2.gz BDVCVMNQANAKFH-OAHLLOKOSA-N 2 1 339.418 2.519 40 0 EFABMP COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1C[NH+]1CCCC1 ZINC000019575086 202014193 /nfs/dbraw/zinc/01/41/93/202014193.db2.gz WGLHMORYDHPQNY-YLJYHZDGSA-N 2 1 343.515 2.960 40 0 EFABMP CC(C)C[NH2+]C1(Cc2cc(C[N@H+](C)Cc3ccccc3)on2)COC1 ZINC000067898122 202038876 /nfs/dbraw/zinc/03/88/76/202038876.db2.gz WLZBDWQZNUXZGX-UHFFFAOYSA-N 2 1 343.471 2.864 40 0 biogenic,in-vitro EFABMP CC(C)C[NH2+]C1(Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)COC1 ZINC000067898122 202038880 /nfs/dbraw/zinc/03/88/80/202038880.db2.gz WLZBDWQZNUXZGX-UHFFFAOYSA-N 2 1 343.471 2.864 40 0 biogenic,in-vitro EFABMP C[NH+](C)CC(C)(C)CN1C[C@@H]2CCC[N@H+]2C[C@H]1Cc1ccccc1 ZINC000043568693 202514093 /nfs/dbraw/zinc/51/40/93/202514093.db2.gz MDEDTPMQZLYQPV-VQTJNVASSA-N 2 1 329.532 2.966 40 0 EFABMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000090882483 203058166 /nfs/dbraw/zinc/05/81/66/203058166.db2.gz VJVYQEXGFZBXNZ-CQSZACIVSA-N 2 1 347.484 2.656 40 0 EFABMP COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C[NH+]1CCCC1 ZINC000072324491 203201572 /nfs/dbraw/zinc/20/15/72/203201572.db2.gz WGLHMORYDHPQNY-FXAWDEMLSA-N 2 1 343.515 2.960 40 0 EFABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096047977 473268491 /nfs/dbraw/zinc/26/84/91/473268491.db2.gz CZBFXMSDEOILCT-IBGZPJMESA-N 2 1 341.455 2.930 40 0 EFABMP Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000096051984 473275575 /nfs/dbraw/zinc/27/55/75/473275575.db2.gz YIMMSJKPSSVFQZ-IEBWSBKVSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000096051984 473275580 /nfs/dbraw/zinc/27/55/80/473275580.db2.gz YIMMSJKPSSVFQZ-IEBWSBKVSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000096051984 473275587 /nfs/dbraw/zinc/27/55/87/473275587.db2.gz YIMMSJKPSSVFQZ-IEBWSBKVSA-N 2 1 336.476 2.536 40 0 EFABMP Cn1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC000096051553 473276345 /nfs/dbraw/zinc/27/63/45/473276345.db2.gz BTLACERURYMNAX-GOSISDBHSA-N 2 1 328.460 2.890 40 0 EFABMP C[NH+]1CCC(COC[C@@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccoc3)O2)CC1 ZINC000096186108 473325826 /nfs/dbraw/zinc/32/58/26/473325826.db2.gz GFTLWOCASNWEEC-UFYCRDLUSA-N 2 1 348.487 2.760 40 0 EFABMP C[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096207051 473343811 /nfs/dbraw/zinc/34/38/11/473343811.db2.gz JVLICVLIXATXOP-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](CC1CC1)CC2 ZINC000096206932 473342245 /nfs/dbraw/zinc/34/22/45/473342245.db2.gz QRRHRKMUIMODCE-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1)C2 ZINC000096216480 473346631 /nfs/dbraw/zinc/34/66/31/473346631.db2.gz JRKPDSZNGWBQBG-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1)C2 ZINC000096216480 473346640 /nfs/dbraw/zinc/34/66/40/473346640.db2.gz JRKPDSZNGWBQBG-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096216480 473346649 /nfs/dbraw/zinc/34/66/49/473346649.db2.gz JRKPDSZNGWBQBG-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096216480 473346654 /nfs/dbraw/zinc/34/66/54/473346654.db2.gz JRKPDSZNGWBQBG-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350538 /nfs/dbraw/zinc/35/05/38/473350538.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 2 1 338.879 2.619 40 0 EFABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350544 /nfs/dbraw/zinc/35/05/44/473350544.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 2 1 338.879 2.619 40 0 EFABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350548 /nfs/dbraw/zinc/35/05/48/473350548.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 2 1 338.879 2.619 40 0 EFABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350552 /nfs/dbraw/zinc/35/05/52/473350552.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 2 1 338.879 2.619 40 0 EFABMP CC[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC000096219099 473351877 /nfs/dbraw/zinc/35/18/77/473351877.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 2 1 329.488 2.652 40 0 EFABMP CC[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096219099 473351886 /nfs/dbraw/zinc/35/18/86/473351886.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 2 1 329.488 2.652 40 0 EFABMP CC[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000096219099 473351893 /nfs/dbraw/zinc/35/18/93/473351893.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 2 1 329.488 2.652 40 0 EFABMP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249665 473364886 /nfs/dbraw/zinc/36/48/86/473364886.db2.gz YWMZAZGTEGFLRL-OXQOHEQNSA-N 2 1 348.487 2.544 40 0 EFABMP CCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249665 473364896 /nfs/dbraw/zinc/36/48/96/473364896.db2.gz YWMZAZGTEGFLRL-OXQOHEQNSA-N 2 1 348.487 2.544 40 0 EFABMP CCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249665 473364904 /nfs/dbraw/zinc/36/49/04/473364904.db2.gz YWMZAZGTEGFLRL-OXQOHEQNSA-N 2 1 348.487 2.544 40 0 EFABMP C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCOCC3)CC2)nn1C ZINC000100687590 472528156 /nfs/dbraw/zinc/52/81/56/472528156.db2.gz ZSDOIEQHUBYTOL-IYBDPMFKSA-N 2 1 334.508 2.524 40 0 EFABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC000113947163 473426963 /nfs/dbraw/zinc/42/69/63/473426963.db2.gz URRSPSUWLKRYOF-INIZCTEOSA-N 2 1 329.488 2.743 40 0 EFABMP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000195565169 474097173 /nfs/dbraw/zinc/09/71/73/474097173.db2.gz FFALTFDBBMBPCY-SJEKWGBGSA-N 2 1 343.515 2.934 40 0 EFABMP CC(=O)NC1CCC([NH2+]C[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000195565167 474097760 /nfs/dbraw/zinc/09/77/60/474097760.db2.gz FFALTFDBBMBPCY-ZBRPZPHNSA-N 2 1 343.515 2.934 40 0 EFABMP [NH3+]CCCNc1cc[nH+]c2ccc(I)cc12 ZINC000222679275 474172627 /nfs/dbraw/zinc/17/26/27/474172627.db2.gz YQULFTOWFZFFIA-UHFFFAOYSA-N 2 1 327.169 2.600 40 0 EFABMP Cc1cccc(C[N@H+]2C[C@@H](COCC3CC3)C3(C2)CC[NH2+]CC3)n1 ZINC000247894051 474222891 /nfs/dbraw/zinc/22/28/91/474222891.db2.gz WSFJQLAZPKHWBY-SFHVURJKSA-N 2 1 329.488 2.618 40 0 EFABMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259515 /nfs/dbraw/zinc/25/95/15/474259515.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 3 1 349.563 2.685 40 0 EFABMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259519 /nfs/dbraw/zinc/25/95/19/474259519.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 3 1 349.563 2.685 40 0 EFABMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCOC1=O ZINC000249301669 474555814 /nfs/dbraw/zinc/55/58/14/474555814.db2.gz NSUPBLUQZXBJMS-OGWHTMIXSA-N 2 1 330.472 2.686 40 0 EFABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000242495314 474560207 /nfs/dbraw/zinc/56/02/07/474560207.db2.gz GAHXESDVRZYYBY-FHWLQOOXSA-N 2 1 331.504 2.919 40 0 EFABMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306128926 474807867 /nfs/dbraw/zinc/80/78/67/474807867.db2.gz HOMAUCPGNWBLJN-HNNXBMFYSA-N 2 1 343.475 2.821 40 0 EFABMP CC[C@H](C)C[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306128926 474807874 /nfs/dbraw/zinc/80/78/74/474807874.db2.gz HOMAUCPGNWBLJN-HNNXBMFYSA-N 2 1 343.475 2.821 40 0 EFABMP C[N@@H+](Cc1ccccc1)C1CCN(C(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000257295200 474936508 /nfs/dbraw/zinc/93/65/08/474936508.db2.gz QXKDSUKKYGIQQV-UAPYVXQJSA-N 2 1 343.515 2.875 40 0 EFABMP C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585141160 479298678 /nfs/dbraw/zinc/29/86/78/479298678.db2.gz QKYRMNRCSUVWMN-RYUDHWBXSA-N 2 1 341.440 2.836 40 0 EFABMP C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585141161 479298929 /nfs/dbraw/zinc/29/89/29/479298929.db2.gz QKYRMNRCSUVWMN-VXGBXAGGSA-N 2 1 341.440 2.836 40 0 EFABMP Cc1ccc(O[C@@H]2CCC[C@H](C[NH2+]C3CC[NH+](C)CC3)[C@H]2O)cc1 ZINC000585285496 479309990 /nfs/dbraw/zinc/30/99/90/479309990.db2.gz DUDXDSMTAPIDAK-NSISKUIASA-N 2 1 332.488 2.587 40 0 EFABMP [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000100768865 219105556 /nfs/dbraw/zinc/10/55/56/219105556.db2.gz VQPTXBUFOPJWRI-YSIASYRMSA-N 2 1 343.515 2.780 40 0 EFABMP Cc1ncc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)n1C ZINC000072394181 216192104 /nfs/dbraw/zinc/19/21/04/216192104.db2.gz JFGRJNGVMQOZAP-UHFFFAOYSA-N 2 1 340.471 2.588 40 0 EFABMP Cc1ncc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)n1C ZINC000072394181 216192107 /nfs/dbraw/zinc/19/21/07/216192107.db2.gz JFGRJNGVMQOZAP-UHFFFAOYSA-N 2 1 340.471 2.588 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1C ZINC000019213928 212003898 /nfs/dbraw/zinc/00/38/98/212003898.db2.gz ZJJPSLWBOLEJHV-GOSISDBHSA-N 2 1 349.482 2.996 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404713 217220218 /nfs/dbraw/zinc/22/02/18/217220218.db2.gz OJCKWVXKICVMSX-OALUTQOASA-N 2 1 331.504 2.871 40 0 EFABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415847 217223289 /nfs/dbraw/zinc/22/32/89/217223289.db2.gz MAPIXEMDPPZCGS-OALUTQOASA-N 2 1 331.504 2.730 40 0 EFABMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](COC)C2)CC1 ZINC000093337941 218216162 /nfs/dbraw/zinc/21/61/62/218216162.db2.gz DFIQGGGEXLKQBJ-SFHVURJKSA-N 2 1 331.504 2.687 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048042 473268149 /nfs/dbraw/zinc/26/81/49/473268149.db2.gz HLVGCWYRHODOAV-GOSISDBHSA-N 2 1 341.455 2.930 40 0 EFABMP c1csc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052326 473275395 /nfs/dbraw/zinc/27/53/95/473275395.db2.gz YHQPVYQVOWOHRO-SJLPKXTDSA-N 2 1 336.501 2.594 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052338 473275732 /nfs/dbraw/zinc/27/57/32/473275732.db2.gz WDBLFMSDUUZMCM-WOJBJXKFSA-N 2 1 348.462 2.672 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052338 473275741 /nfs/dbraw/zinc/27/57/41/473275741.db2.gz WDBLFMSDUUZMCM-WOJBJXKFSA-N 2 1 348.462 2.672 40 0 EFABMP Cn1cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000096158676 473318748 /nfs/dbraw/zinc/31/87/48/473318748.db2.gz RFBWHFHTJMMWPG-GOSISDBHSA-N 2 1 343.471 2.874 40 0 EFABMP c1ccc(C[N@@H+]2CC[C@]3(C[C@H](OCC[NH+]4CCCC4)CO3)C2)cc1 ZINC000096207968 473342964 /nfs/dbraw/zinc/34/29/64/473342964.db2.gz YJZVTJNGUDVHOV-PMACEKPBSA-N 2 1 330.472 2.532 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](C1CCC1)CC2 ZINC000096208725 473344744 /nfs/dbraw/zinc/34/47/44/473344744.db2.gz ITBKYRBAEMCBFZ-LJQANCHMSA-N 2 1 329.488 2.937 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](C1CCC1)CC2 ZINC000096208724 473345662 /nfs/dbraw/zinc/34/56/62/473345662.db2.gz ITBKYRBAEMCBFZ-IBGZPJMESA-N 2 1 329.488 2.937 40 0 EFABMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@H]3COCC3CC3)C2)cc1 ZINC000096217626 473349239 /nfs/dbraw/zinc/34/92/39/473349239.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@H]3COCC3CC3)C2)cc1 ZINC000096217626 473349246 /nfs/dbraw/zinc/34/92/46/473349246.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCC2CC2)cc1 ZINC000096217626 473349251 /nfs/dbraw/zinc/34/92/51/473349251.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCC2CC2)cc1 ZINC000096217626 473349258 /nfs/dbraw/zinc/34/92/58/473349258.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096220296 473353218 /nfs/dbraw/zinc/35/32/18/473353218.db2.gz JPFPAFMVCXCLNA-QUCCMNQESA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096220296 473353224 /nfs/dbraw/zinc/35/32/24/473353224.db2.gz JPFPAFMVCXCLNA-QUCCMNQESA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096220296 473353228 /nfs/dbraw/zinc/35/32/28/473353228.db2.gz JPFPAFMVCXCLNA-QUCCMNQESA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096220296 473353231 /nfs/dbraw/zinc/35/32/31/473353231.db2.gz JPFPAFMVCXCLNA-QUCCMNQESA-N 2 1 329.488 2.570 40 0 EFABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1scnc1C)C2 ZINC000096220096 473354166 /nfs/dbraw/zinc/35/41/66/473354166.db2.gz MKZLHDFNAFOHLO-WMZOPIPTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1scnc1C)C2 ZINC000096220096 473354173 /nfs/dbraw/zinc/35/41/73/473354173.db2.gz MKZLHDFNAFOHLO-WMZOPIPTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1scnc1C)C2 ZINC000096220096 473354182 /nfs/dbraw/zinc/35/41/82/473354182.db2.gz MKZLHDFNAFOHLO-WMZOPIPTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1scnc1C)C2 ZINC000096220096 473354189 /nfs/dbraw/zinc/35/41/89/473354189.db2.gz MKZLHDFNAFOHLO-WMZOPIPTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC1CC1)CC2 ZINC000096240368 473362256 /nfs/dbraw/zinc/36/22/56/473362256.db2.gz OTYDVEJMMPOVOX-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCC ZINC000008253822 471675012 /nfs/dbraw/zinc/67/50/12/471675012.db2.gz VGLLIMRSDAQDFG-UHFFFAOYSA-N 2 1 345.281 2.946 40 0 EFABMP COc1cc(C)ccc1C[N@@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019134111 471977368 /nfs/dbraw/zinc/97/73/68/471977368.db2.gz YSMYCFBFYMBYPU-GOSISDBHSA-N 2 1 338.455 2.776 40 0 EFABMP COc1cc(C)ccc1C[N@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019134111 471977372 /nfs/dbraw/zinc/97/73/72/471977372.db2.gz YSMYCFBFYMBYPU-GOSISDBHSA-N 2 1 338.455 2.776 40 0 EFABMP C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000072394693 472663218 /nfs/dbraw/zinc/66/32/18/472663218.db2.gz RKNINMNFKNFZLA-OKILXGFUSA-N 2 1 328.460 2.639 40 0 EFABMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065867875 473021269 /nfs/dbraw/zinc/02/12/69/473021269.db2.gz IBUIPMUHJOCAJP-VQTJNVASSA-N 2 1 341.499 2.642 40 0 EFABMP Cc1noc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000195557233 474094888 /nfs/dbraw/zinc/09/48/88/474094888.db2.gz WYZVLHWUROFKSS-OKZBNKHCSA-N 2 1 326.444 2.768 40 0 EFABMP COc1ncccc1C[N@H+]1CCC[C@]2(C[C@H](C[NH+](C)C3CC3)CO2)C1 ZINC000248032732 474247514 /nfs/dbraw/zinc/24/75/14/474247514.db2.gz IOMFUNZZLXZSCQ-UZLBHIALSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@]2(C[C@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000248032732 474247520 /nfs/dbraw/zinc/24/75/20/474247520.db2.gz IOMFUNZZLXZSCQ-UZLBHIALSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@]2(C[C@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000248032732 474247523 /nfs/dbraw/zinc/24/75/23/474247523.db2.gz IOMFUNZZLXZSCQ-UZLBHIALSA-N 2 1 345.487 2.556 40 0 EFABMP CCC[NH+]1CCC([N@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135942 474810427 /nfs/dbraw/zinc/81/04/27/474810427.db2.gz PEZVVCFAXYMTME-QFBILLFUSA-N 2 1 342.487 2.709 40 0 EFABMP COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](C1CCC1)CC2 ZINC000585103912 479284415 /nfs/dbraw/zinc/28/44/15/479284415.db2.gz TZVZEYZMTQMQAI-SFHVURJKSA-N 2 1 336.520 2.626 40 0 EFABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585103386 479284714 /nfs/dbraw/zinc/28/47/14/479284714.db2.gz OOZVTQPHZZDIDT-QGZVFWFLSA-N 2 1 348.487 2.619 40 0 EFABMP COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](C1CCC1)CC2 ZINC000585103904 479284881 /nfs/dbraw/zinc/28/48/81/479284881.db2.gz TZVZEYZMTQMQAI-GOSISDBHSA-N 2 1 336.520 2.626 40 0 EFABMP Oc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cc1 ZINC000072327121 216152139 /nfs/dbraw/zinc/15/21/39/216152139.db2.gz FPKZGOKYPUTZJJ-UHFFFAOYSA-N 2 1 348.450 2.872 40 0 EFABMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000078498585 217062992 /nfs/dbraw/zinc/06/29/92/217062992.db2.gz UZQHBTBGQCXYLF-LJQANCHMSA-N 2 1 340.471 2.730 40 0 EFABMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000078498585 217062996 /nfs/dbraw/zinc/06/29/96/217062996.db2.gz UZQHBTBGQCXYLF-LJQANCHMSA-N 2 1 340.471 2.730 40 0 EFABMP CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079404673 217220438 /nfs/dbraw/zinc/22/04/38/217220438.db2.gz MNCLUTOJRFGRIY-MOPGFXCFSA-N 2 1 331.504 2.730 40 0 EFABMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439501 218226124 /nfs/dbraw/zinc/22/61/24/218226124.db2.gz KELSAXKCKBOSSW-HXUWFJFHSA-N 2 1 341.503 2.551 40 0 EFABMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439501 218226126 /nfs/dbraw/zinc/22/61/26/218226126.db2.gz KELSAXKCKBOSSW-HXUWFJFHSA-N 2 1 341.503 2.551 40 0 EFABMP O=C(Nc1ccccc1O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161666434 473251405 /nfs/dbraw/zinc/25/14/05/473251405.db2.gz WNYPAKAHCDRYNI-UHFFFAOYSA-N 2 1 345.487 2.919 40 0 EFABMP Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000096052309 473276396 /nfs/dbraw/zinc/27/63/96/473276396.db2.gz QTWXDAAEOHVMCC-MOPGFXCFSA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000096052309 473276402 /nfs/dbraw/zinc/27/64/02/473276402.db2.gz QTWXDAAEOHVMCC-MOPGFXCFSA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000096052309 473276409 /nfs/dbraw/zinc/27/64/09/473276409.db2.gz QTWXDAAEOHVMCC-MOPGFXCFSA-N 2 1 336.476 2.678 40 0 EFABMP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055174 473277783 /nfs/dbraw/zinc/27/77/83/473277783.db2.gz YURKWFJEPMYZNM-IEBWSBKVSA-N 2 1 343.496 2.866 40 0 EFABMP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055174 473277790 /nfs/dbraw/zinc/27/77/90/473277790.db2.gz YURKWFJEPMYZNM-IEBWSBKVSA-N 2 1 343.496 2.866 40 0 EFABMP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055174 473277795 /nfs/dbraw/zinc/27/77/95/473277795.db2.gz YURKWFJEPMYZNM-IEBWSBKVSA-N 2 1 343.496 2.866 40 0 EFABMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC000096055176 473278638 /nfs/dbraw/zinc/27/86/38/473278638.db2.gz MQJKXLPNQAOHJC-RTBURBONSA-N 2 1 343.496 2.866 40 0 EFABMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC000096055176 473278646 /nfs/dbraw/zinc/27/86/46/473278646.db2.gz MQJKXLPNQAOHJC-RTBURBONSA-N 2 1 343.496 2.866 40 0 EFABMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC000096055176 473278651 /nfs/dbraw/zinc/27/86/51/473278651.db2.gz MQJKXLPNQAOHJC-RTBURBONSA-N 2 1 343.496 2.866 40 0 EFABMP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)s1 ZINC000096055207 473279509 /nfs/dbraw/zinc/27/95/09/473279509.db2.gz HEYIOBUAGCPJTH-BPQIPLTHSA-N 2 1 338.517 2.614 40 0 EFABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccco3)C[C@@H]21 ZINC000096056292 473281724 /nfs/dbraw/zinc/28/17/24/473281724.db2.gz ZMSOJVXWNHNFSV-ZYSHUDEJSA-N 2 1 330.428 2.842 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096056292 473281729 /nfs/dbraw/zinc/28/17/29/473281729.db2.gz ZMSOJVXWNHNFSV-ZYSHUDEJSA-N 2 1 330.428 2.842 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096056292 473281733 /nfs/dbraw/zinc/28/17/33/473281733.db2.gz ZMSOJVXWNHNFSV-ZYSHUDEJSA-N 2 1 330.428 2.842 40 0 EFABMP COc1ncccc1C[N@H+]1CCC[C@@]2(C[C@H](C[NH+](C)C3CC3)CO2)C1 ZINC000096075658 473290585 /nfs/dbraw/zinc/29/05/85/473290585.db2.gz IOMFUNZZLXZSCQ-OXQOHEQNSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@@]2(C[C@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000096075658 473290592 /nfs/dbraw/zinc/29/05/92/473290592.db2.gz IOMFUNZZLXZSCQ-OXQOHEQNSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@@]2(C[C@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000096075658 473290601 /nfs/dbraw/zinc/29/06/01/473290601.db2.gz IOMFUNZZLXZSCQ-OXQOHEQNSA-N 2 1 345.487 2.556 40 0 EFABMP CCC[NH+]1CCC([N@@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080584 473291439 /nfs/dbraw/zinc/29/14/39/473291439.db2.gz PEZVVCFAXYMTME-LPHOPBHVSA-N 2 1 342.487 2.709 40 0 EFABMP CCC[NH+]1CCC([N@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080584 473291449 /nfs/dbraw/zinc/29/14/49/473291449.db2.gz PEZVVCFAXYMTME-LPHOPBHVSA-N 2 1 342.487 2.709 40 0 EFABMP C[NH+]1CCN(c2cc([C@H]3c4ccccc4CCC[N@@H+]3C)ccn2)CC1 ZINC000096087168 473293466 /nfs/dbraw/zinc/29/34/66/473293466.db2.gz QHCAXUGFOAAYCE-NRFANRHFSA-N 2 1 336.483 2.801 40 0 EFABMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+]4CCCC4)N3C)C2)o1 ZINC000096185586 473327004 /nfs/dbraw/zinc/32/70/04/473327004.db2.gz TYVRJLPXOLDXHN-UWVAXJGDSA-N 2 1 331.504 2.832 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](C1CCC1)CC2 ZINC000096208486 473345630 /nfs/dbraw/zinc/34/56/30/473345630.db2.gz HVPBOBLZTZFGDF-IBGZPJMESA-N 2 1 329.488 2.937 40 0 EFABMP Cc1cc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)cc(C)[nH+]1 ZINC000096219451 473351066 /nfs/dbraw/zinc/35/10/66/473351066.db2.gz DGVABUUROXZFOW-DFQSSKMNSA-N 2 1 339.439 2.619 40 0 EFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1)C2 ZINC000096219361 473351761 /nfs/dbraw/zinc/35/17/61/473351761.db2.gz FTFUZLVBSZSKEJ-RTWAWAEBSA-N 2 1 328.500 2.909 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccccc1)C2 ZINC000096219361 473351770 /nfs/dbraw/zinc/35/17/70/473351770.db2.gz FTFUZLVBSZSKEJ-RTWAWAEBSA-N 2 1 328.500 2.909 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccccc1)C2 ZINC000096219361 473351779 /nfs/dbraw/zinc/35/17/79/473351779.db2.gz FTFUZLVBSZSKEJ-RTWAWAEBSA-N 2 1 328.500 2.909 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096249679 473365350 /nfs/dbraw/zinc/36/53/50/473365350.db2.gz SGCDWWBDNBSCNK-AZUAARDMSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096249679 473365360 /nfs/dbraw/zinc/36/53/60/473365360.db2.gz SGCDWWBDNBSCNK-AZUAARDMSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096249679 473365369 /nfs/dbraw/zinc/36/53/69/473365369.db2.gz SGCDWWBDNBSCNK-AZUAARDMSA-N 2 1 341.455 2.706 40 0 EFABMP O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064507759 472859408 /nfs/dbraw/zinc/85/94/08/472859408.db2.gz SLMCGDHHCDZZCG-UHFFFAOYSA-N 2 1 345.462 2.533 40 0 EFABMP O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064507759 472859411 /nfs/dbraw/zinc/85/94/11/472859411.db2.gz SLMCGDHHCDZZCG-UHFFFAOYSA-N 2 1 345.462 2.533 40 0 EFABMP C[N@@H+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[NH+](C3CCOCC3)C[C@@H]21 ZINC000107197526 472932024 /nfs/dbraw/zinc/93/20/24/472932024.db2.gz YOYZGQQPDOCDEE-YZGWKJHDSA-N 2 1 329.488 2.793 40 0 EFABMP C[NH+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]21 ZINC000107197526 472932031 /nfs/dbraw/zinc/93/20/31/472932031.db2.gz YOYZGQQPDOCDEE-YZGWKJHDSA-N 2 1 329.488 2.793 40 0 EFABMP C[NH+](Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]21 ZINC000107197526 472932035 /nfs/dbraw/zinc/93/20/35/472932035.db2.gz YOYZGQQPDOCDEE-YZGWKJHDSA-N 2 1 329.488 2.793 40 0 EFABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)CC1 ZINC000049170555 472934570 /nfs/dbraw/zinc/93/45/70/472934570.db2.gz ZDJGEUQJYIWLTI-ZDUSSCGKSA-N 2 1 330.407 2.759 40 0 biogenic,in-vitro EFABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)CC1 ZINC000049170555 472934572 /nfs/dbraw/zinc/93/45/72/472934572.db2.gz ZDJGEUQJYIWLTI-ZDUSSCGKSA-N 2 1 330.407 2.759 40 0 biogenic,in-vitro EFABMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195267095 474043414 /nfs/dbraw/zinc/04/34/14/474043414.db2.gz NQVBJXQZCMJSHG-GOSISDBHSA-N 2 1 345.512 2.898 40 0 EFABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](CC(C)C)CC2)cs1 ZINC000225463015 474215213 /nfs/dbraw/zinc/21/52/13/474215213.db2.gz RZOCDZISJCWGQA-UHFFFAOYSA-N 2 1 325.522 2.924 40 0 biogenic,in-vitro EFABMP c1cc2n(n1)C[C@@H](CC[NH+]1CCCCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253477374 474761812 /nfs/dbraw/zinc/76/18/12/474761812.db2.gz FKJGJVJHNLEPLC-IBGZPJMESA-N 2 1 346.519 2.618 40 0 EFABMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306128927 474807310 /nfs/dbraw/zinc/80/73/10/474807310.db2.gz HOMAUCPGNWBLJN-OAHLLOKOSA-N 2 1 343.475 2.821 40 0 EFABMP CC[C@@H](C)C[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306128927 474807316 /nfs/dbraw/zinc/80/73/16/474807316.db2.gz HOMAUCPGNWBLJN-OAHLLOKOSA-N 2 1 343.475 2.821 40 0 EFABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000585104126 479286208 /nfs/dbraw/zinc/28/62/08/479286208.db2.gz WRQCPHDNKOVNAT-QGZVFWFLSA-N 2 1 338.517 2.555 40 0 EFABMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccsc1)CC2 ZINC000675009194 1099619372 /nfs/dbraw/zinc/61/93/72/1099619372.db2.gz AXHMYDSWEGVZHG-KRWDZBQOSA-N 2 1 347.528 2.657 40 0 EFABMP C[N@H+](Cc1cc(CC2([NH2+]CC3CC3)COC2)no1)Cc1ccccc1 ZINC000072321937 216149941 /nfs/dbraw/zinc/14/99/41/216149941.db2.gz AQTPDRGNSPBJFW-UHFFFAOYSA-N 2 1 341.455 2.618 40 0 biogenic,in-vitro EFABMP C[N@@H+](Cc1cc(CC2([NH2+]CC3CC3)COC2)no1)Cc1ccccc1 ZINC000072321937 216149945 /nfs/dbraw/zinc/14/99/45/216149945.db2.gz AQTPDRGNSPBJFW-UHFFFAOYSA-N 2 1 341.455 2.618 40 0 biogenic,in-vitro EFABMP COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C[NH+]1CCCC1 ZINC000072324492 216151074 /nfs/dbraw/zinc/15/10/74/216151074.db2.gz WGLHMORYDHPQNY-PXNSSMCTSA-N 2 1 343.515 2.960 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)cc1C ZINC000019213930 212005460 /nfs/dbraw/zinc/00/54/60/212005460.db2.gz ZJJPSLWBOLEJHV-SFHVURJKSA-N 2 1 349.482 2.996 40 0 EFABMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079289678 217203983 /nfs/dbraw/zinc/20/39/83/217203983.db2.gz IBUIPMUHJOCAJP-WOJBJXKFSA-N 2 1 341.499 2.642 40 0 EFABMP CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079415856 217224007 /nfs/dbraw/zinc/22/40/07/217224007.db2.gz JYODLIQUJCEMEY-IBGZPJMESA-N 2 1 331.504 2.730 40 0 EFABMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](COC)C2)CC1 ZINC000093337942 218215772 /nfs/dbraw/zinc/21/57/72/218215772.db2.gz DFIQGGGEXLKQBJ-GOSISDBHSA-N 2 1 331.504 2.687 40 0 EFABMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370730 285375950 /nfs/dbraw/zinc/37/59/50/285375950.db2.gz VGCPTLVXNDXEMQ-SJLPKXTDSA-N 2 1 341.421 2.923 40 0 EFABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096047976 473269466 /nfs/dbraw/zinc/26/94/66/473269466.db2.gz CZBFXMSDEOILCT-LJQANCHMSA-N 2 1 341.455 2.930 40 0 EFABMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)cn1 ZINC000096081941 473293228 /nfs/dbraw/zinc/29/32/28/473293228.db2.gz SAQSQZXYUPDPMP-YQVWRLOYSA-N 2 1 325.460 2.775 40 0 EFABMP Cn1ccnc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccccn3)C2)CC1 ZINC000096159260 473319632 /nfs/dbraw/zinc/31/96/32/473319632.db2.gz NHUSPHNCFOXIDN-UHFFFAOYSA-N 2 1 339.487 2.692 40 0 EFABMP Cn1cccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096157580 473316064 /nfs/dbraw/zinc/31/60/64/473316064.db2.gz PQBNMYBVZFIANS-UHFFFAOYSA-N 2 1 330.501 2.970 40 0 EFABMP Cn1cccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096157580 473316070 /nfs/dbraw/zinc/31/60/70/473316070.db2.gz PQBNMYBVZFIANS-UHFFFAOYSA-N 2 1 330.501 2.970 40 0 EFABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccncc3)C[C@@H]21 ZINC000096185515 473326869 /nfs/dbraw/zinc/32/68/69/473326869.db2.gz LWXDLDLNCSPPEQ-YSIASYRMSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096185515 473326875 /nfs/dbraw/zinc/32/68/75/473326875.db2.gz LWXDLDLNCSPPEQ-YSIASYRMSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096185515 473326881 /nfs/dbraw/zinc/32/68/81/473326881.db2.gz LWXDLDLNCSPPEQ-YSIASYRMSA-N 2 1 341.455 2.644 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1cccnc1OC)CC2 ZINC000096206093 473340997 /nfs/dbraw/zinc/34/09/97/473340997.db2.gz ATXJDOGTESTMPX-SFHVURJKSA-N 2 1 347.503 2.802 40 0 EFABMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)O2)CC1 ZINC000096207381 473342055 /nfs/dbraw/zinc/34/20/55/473342055.db2.gz RRBDUIABYFMICP-IEBWSBKVSA-N 2 1 349.544 2.509 40 0 EFABMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)O2)CC1 ZINC000096207381 473342060 /nfs/dbraw/zinc/34/20/60/473342060.db2.gz RRBDUIABYFMICP-IEBWSBKVSA-N 2 1 349.544 2.509 40 0 EFABMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)O2)CC1 ZINC000096207381 473342066 /nfs/dbraw/zinc/34/20/66/473342066.db2.gz RRBDUIABYFMICP-IEBWSBKVSA-N 2 1 349.544 2.509 40 0 EFABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1ccsc1)CC2 ZINC000096207478 473342267 /nfs/dbraw/zinc/34/22/67/473342267.db2.gz LPCLIWNUXNLAPW-KRWDZBQOSA-N 2 1 338.517 2.697 40 0 EFABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1)C2 ZINC000096216482 473348115 /nfs/dbraw/zinc/34/81/15/473348115.db2.gz JRKPDSZNGWBQBG-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)cc1)C2 ZINC000096216482 473348119 /nfs/dbraw/zinc/34/81/19/473348119.db2.gz JRKPDSZNGWBQBG-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096216482 473348123 /nfs/dbraw/zinc/34/81/23/473348123.db2.gz JRKPDSZNGWBQBG-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096216482 473348125 /nfs/dbraw/zinc/34/81/25/473348125.db2.gz JRKPDSZNGWBQBG-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096217261 473349639 /nfs/dbraw/zinc/34/96/39/473349639.db2.gz DSUZRTPKOLTACE-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096217261 473349647 /nfs/dbraw/zinc/34/96/47/473349647.db2.gz DSUZRTPKOLTACE-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1OC)C2 ZINC000096217261 473349657 /nfs/dbraw/zinc/34/96/57/473349657.db2.gz DSUZRTPKOLTACE-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1OC)C2 ZINC000096217261 473349662 /nfs/dbraw/zinc/34/96/62/473349662.db2.gz DSUZRTPKOLTACE-CTNGQTDRSA-N 2 1 344.499 2.876 40 0 EFABMP CC[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC000096216764 473350237 /nfs/dbraw/zinc/35/02/37/473350237.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 2 1 329.488 2.652 40 0 EFABMP CC[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096216764 473350243 /nfs/dbraw/zinc/35/02/43/473350243.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 2 1 329.488 2.652 40 0 EFABMP CC[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000096216764 473350254 /nfs/dbraw/zinc/35/02/54/473350254.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 2 1 329.488 2.652 40 0 EFABMP Cc1cccc(C)c1OCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000096407744 473385156 /nfs/dbraw/zinc/38/51/56/473385156.db2.gz NHIAWQGILCDSGU-FQEVSTJZSA-N 2 1 345.531 2.784 40 0 EFABMP Cc1cccc(C)c1OCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000096407744 473385167 /nfs/dbraw/zinc/38/51/67/473385167.db2.gz NHIAWQGILCDSGU-FQEVSTJZSA-N 2 1 345.531 2.784 40 0 EFABMP CCOc1c(Br)cc(C[NH2+]CCC[NH2+]C)cc1OC ZINC000008253338 471674976 /nfs/dbraw/zinc/67/49/76/471674976.db2.gz UZOGDBCUTBGAKB-UHFFFAOYSA-N 2 1 331.254 2.556 40 0 EFABMP C[NH+](C)CCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013673813 471837550 /nfs/dbraw/zinc/83/75/50/471837550.db2.gz ADYBOLRSHBSIFV-UHFFFAOYSA-N 2 1 337.467 2.536 40 0 EFABMP Cc1cccc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH+]1 ZINC000097096536 472445478 /nfs/dbraw/zinc/44/54/78/472445478.db2.gz GTWMWGDNWGAMFG-GOSISDBHSA-N 2 1 338.455 2.699 40 0 EFABMP Cc1cccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH+]1 ZINC000097096536 472445481 /nfs/dbraw/zinc/44/54/81/472445481.db2.gz GTWMWGDNWGAMFG-GOSISDBHSA-N 2 1 338.455 2.699 40 0 EFABMP COc1cccc([C@@H]2[C@H](NC3CC[NH+](C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000157041131 472777574 /nfs/dbraw/zinc/77/75/74/472777574.db2.gz DILBIQPHBVSQLP-WOJBJXKFSA-N 2 1 329.488 2.657 40 0 EFABMP COc1cccc([C@@H]2[C@H](NC3CC[NH+](C)CC3)CC[N@H+]2C2CC2)c1 ZINC000157041131 472777579 /nfs/dbraw/zinc/77/75/79/472777579.db2.gz DILBIQPHBVSQLP-WOJBJXKFSA-N 2 1 329.488 2.657 40 0 EFABMP COc1ccccc1-c1nnc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049170029 472934613 /nfs/dbraw/zinc/93/46/13/472934613.db2.gz ZQPQSIQGXLSQMC-AWEZNQCLSA-N 2 1 342.443 2.629 40 0 biogenic,in-vitro EFABMP COc1ccccc1-c1nnc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000049170029 472934623 /nfs/dbraw/zinc/93/46/23/472934623.db2.gz ZQPQSIQGXLSQMC-AWEZNQCLSA-N 2 1 342.443 2.629 40 0 biogenic,in-vitro EFABMP Fc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738802 472979952 /nfs/dbraw/zinc/97/99/52/472979952.db2.gz UBJDVHBBLSDMBF-ICSRJNTNSA-N 2 1 348.462 2.529 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000107738802 472979957 /nfs/dbraw/zinc/97/99/57/472979957.db2.gz UBJDVHBBLSDMBF-ICSRJNTNSA-N 2 1 348.462 2.529 40 0 EFABMP C[NH2+]CCCNc1cc[nH+]c2ccc(I)cc12 ZINC000222679371 474172990 /nfs/dbraw/zinc/17/29/90/474172990.db2.gz PGRGMBXGQAACKP-UHFFFAOYSA-N 2 1 341.196 2.861 40 0 EFABMP C[N@H+](C[C@H]1CO[C@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000248074195 474256323 /nfs/dbraw/zinc/25/63/23/474256323.db2.gz TVWAYTZYFNSRCF-KXBFYZLASA-N 2 1 333.451 2.686 40 0 EFABMP C[N@@H+](C[C@H]1CO[C@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000248074195 474256332 /nfs/dbraw/zinc/25/63/32/474256332.db2.gz TVWAYTZYFNSRCF-KXBFYZLASA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccncc1F)C2)C1CC1 ZINC000248074195 474256339 /nfs/dbraw/zinc/25/63/39/474256339.db2.gz TVWAYTZYFNSRCF-KXBFYZLASA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccncc1F)C2)C1CC1 ZINC000248074195 474256343 /nfs/dbraw/zinc/25/63/43/474256343.db2.gz TVWAYTZYFNSRCF-KXBFYZLASA-N 2 1 333.451 2.686 40 0 EFABMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCOC1=O ZINC000249301657 474555560 /nfs/dbraw/zinc/55/55/60/474555560.db2.gz NSUPBLUQZXBJMS-JFRXWTBNSA-N 2 1 330.472 2.686 40 0 EFABMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000252585082 474699927 /nfs/dbraw/zinc/69/99/27/474699927.db2.gz FXWDRVDOODGFDE-LQKXBSAESA-N 2 1 330.394 2.656 40 0 EFABMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000252585082 474699931 /nfs/dbraw/zinc/69/99/31/474699931.db2.gz FXWDRVDOODGFDE-LQKXBSAESA-N 2 1 330.394 2.656 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H](F)[C@@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809172 /nfs/dbraw/zinc/80/91/72/474809172.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 2 1 346.450 2.758 40 0 EFABMP Cc1ccc(CN2CC[C@H](F)[C@@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809181 /nfs/dbraw/zinc/80/91/81/474809181.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 2 1 346.450 2.758 40 0 EFABMP Cc1ccc(CN2CC[C@H](F)[C@@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000306135413 474809189 /nfs/dbraw/zinc/80/91/89/474809189.db2.gz OQAPZIMNYAKCNM-OALUTQOASA-N 2 1 346.450 2.758 40 0 EFABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC000019288018 202003476 /nfs/dbraw/zinc/00/34/76/202003476.db2.gz RBZVJPHMNZVLSY-UHFFFAOYSA-N 2 1 338.455 2.710 40 0 EFABMP CC[NH+]1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020044669 202030518 /nfs/dbraw/zinc/03/05/18/202030518.db2.gz RAWYCXMLFRFNSZ-QGZVFWFLSA-N 2 1 329.488 2.696 40 0 EFABMP CC[NH+]1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020044669 202030520 /nfs/dbraw/zinc/03/05/20/202030520.db2.gz RAWYCXMLFRFNSZ-QGZVFWFLSA-N 2 1 329.488 2.696 40 0 EFABMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132909 203094141 /nfs/dbraw/zinc/09/41/41/203094141.db2.gz XQKXLOPZIRQYAJ-IBGZPJMESA-N 2 1 343.515 2.612 40 0 EFABMP Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)s1 ZINC000107747123 204247217 /nfs/dbraw/zinc/24/72/17/204247217.db2.gz HEYIOBUAGCPJTH-KBAYOESNSA-N 2 1 338.517 2.614 40 0 EFABMP [NH2+]=C1NC(=[NH2+])N(c2ccc(Br)cc2)C2(CCCCC2)N1 ZINC000003078052 303360185 /nfs/dbraw/zinc/36/01/85/303360185.db2.gz GNAILLBZLCJWMI-UHFFFAOYSA-N 2 1 336.237 2.559 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048046 473268909 /nfs/dbraw/zinc/26/89/09/473268909.db2.gz FWYHMRXLVKEIGG-LJQANCHMSA-N 2 1 341.455 2.930 40 0 EFABMP Cn1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC000096051552 473274942 /nfs/dbraw/zinc/27/49/42/473274942.db2.gz BTLACERURYMNAX-SFHVURJKSA-N 2 1 328.460 2.890 40 0 EFABMP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000096052310 473275514 /nfs/dbraw/zinc/27/55/14/473275514.db2.gz QTWXDAAEOHVMCC-RTBURBONSA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000096052310 473275520 /nfs/dbraw/zinc/27/55/20/473275520.db2.gz QTWXDAAEOHVMCC-RTBURBONSA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000096052310 473275528 /nfs/dbraw/zinc/27/55/28/473275528.db2.gz QTWXDAAEOHVMCC-RTBURBONSA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[NH+]2CCOC[C@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000096051983 473275985 /nfs/dbraw/zinc/27/59/85/473275985.db2.gz YIMMSJKPSSVFQZ-MJGOQNOKSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000096051983 473275992 /nfs/dbraw/zinc/27/59/92/473275992.db2.gz YIMMSJKPSSVFQZ-MJGOQNOKSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000096051983 473276003 /nfs/dbraw/zinc/27/60/03/473276003.db2.gz YIMMSJKPSSVFQZ-MJGOQNOKSA-N 2 1 336.476 2.536 40 0 EFABMP c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cs1 ZINC000096057922 473280983 /nfs/dbraw/zinc/28/09/83/473280983.db2.gz JONYWFBKUKGGSH-RCCFBDPRSA-N 2 1 336.501 2.592 40 0 EFABMP c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)cs1 ZINC000096057922 473280990 /nfs/dbraw/zinc/28/09/90/473280990.db2.gz JONYWFBKUKGGSH-RCCFBDPRSA-N 2 1 336.501 2.592 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096073277 473288809 /nfs/dbraw/zinc/28/88/09/473288809.db2.gz JOKLBSPFKZXZCK-SFHVURJKSA-N 2 1 348.487 2.762 40 0 EFABMP C[N@H+](C[C@@H]1CO[C@@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000096075660 473291925 /nfs/dbraw/zinc/29/19/25/473291925.db2.gz TVWAYTZYFNSRCF-DNVCBOLYSA-N 2 1 333.451 2.686 40 0 EFABMP C[N@@H+](C[C@@H]1CO[C@@]2(C1)CCC[NH+](Cc1ccncc1F)C2)C1CC1 ZINC000096075660 473291942 /nfs/dbraw/zinc/29/19/42/473291942.db2.gz TVWAYTZYFNSRCF-DNVCBOLYSA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccncc1F)C2)C1CC1 ZINC000096075660 473291947 /nfs/dbraw/zinc/29/19/47/473291947.db2.gz TVWAYTZYFNSRCF-DNVCBOLYSA-N 2 1 333.451 2.686 40 0 EFABMP C[NH+](C[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccncc1F)C2)C1CC1 ZINC000096075660 473291962 /nfs/dbraw/zinc/29/19/62/473291962.db2.gz TVWAYTZYFNSRCF-DNVCBOLYSA-N 2 1 333.451 2.686 40 0 EFABMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000096185633 473326613 /nfs/dbraw/zinc/32/66/13/473326613.db2.gz PXSBYEPCAAPPHQ-RYRKJORJSA-N 2 1 345.516 2.713 40 0 EFABMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccs3)CC[C@@H]21 ZINC000096185633 473326619 /nfs/dbraw/zinc/32/66/19/473326619.db2.gz PXSBYEPCAAPPHQ-RYRKJORJSA-N 2 1 345.516 2.713 40 0 EFABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185633 473326624 /nfs/dbraw/zinc/32/66/24/473326624.db2.gz PXSBYEPCAAPPHQ-RYRKJORJSA-N 2 1 345.516 2.713 40 0 EFABMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096185633 473326631 /nfs/dbraw/zinc/32/66/31/473326631.db2.gz PXSBYEPCAAPPHQ-RYRKJORJSA-N 2 1 345.516 2.713 40 0 EFABMP COc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096207980 473342102 /nfs/dbraw/zinc/34/21/02/473342102.db2.gz ITOZRXVNKFPQBP-UYAOXDASSA-N 2 1 330.472 2.915 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000096207551 473342760 /nfs/dbraw/zinc/34/27/60/473342760.db2.gz UWXJRVBHBIUJCM-KRWDZBQOSA-N 2 1 348.487 2.637 40 0 EFABMP C[NH+](C)CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccsc1)CC2 ZINC000096217705 473348624 /nfs/dbraw/zinc/34/86/24/473348624.db2.gz KWPAQPXNCUCIIY-GOSISDBHSA-N 2 1 335.517 2.657 40 0 EFABMP C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096216942 473350442 /nfs/dbraw/zinc/35/04/42/473350442.db2.gz LERRQXKPMZNMOD-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP C[N@H+]1C[C@@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000096219830 473353357 /nfs/dbraw/zinc/35/33/57/473353357.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 2 1 328.500 2.909 40 0 EFABMP C[NH+]1C[C@@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096219830 473353363 /nfs/dbraw/zinc/35/33/63/473353363.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 2 1 328.500 2.909 40 0 EFABMP C[NH+]1C[C@@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096219830 473353366 /nfs/dbraw/zinc/35/33/66/473353366.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 2 1 328.500 2.909 40 0 EFABMP C[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096216940 473348984 /nfs/dbraw/zinc/34/89/84/473348984.db2.gz LERRQXKPMZNMOD-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000097228500 472484036 /nfs/dbraw/zinc/48/40/36/472484036.db2.gz WWFNXKLAUUMVQA-CYBMUJFWSA-N 2 1 335.473 2.655 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391096 472856674 /nfs/dbraw/zinc/85/66/74/472856674.db2.gz GVKUPTSVHWKTTJ-IBGZPJMESA-N 2 1 329.488 2.625 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404776 472859990 /nfs/dbraw/zinc/85/99/90/472859990.db2.gz VDSYMKVGFGGHHM-OALUTQOASA-N 2 1 329.488 2.625 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404705 472860101 /nfs/dbraw/zinc/86/01/01/472860101.db2.gz PUAWULFUHJTPSI-OALUTQOASA-N 2 1 331.504 2.729 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404759 472860562 /nfs/dbraw/zinc/86/05/62/472860562.db2.gz WBAQSTYLPZVOCK-MOPGFXCFSA-N 2 1 329.488 2.625 40 0 EFABMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439500 473107001 /nfs/dbraw/zinc/10/70/01/473107001.db2.gz KELSAXKCKBOSSW-FQEVSTJZSA-N 2 1 341.503 2.551 40 0 EFABMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439500 473107012 /nfs/dbraw/zinc/10/70/12/473107012.db2.gz KELSAXKCKBOSSW-FQEVSTJZSA-N 2 1 341.503 2.551 40 0 EFABMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000113972539 473429918 /nfs/dbraw/zinc/42/99/18/473429918.db2.gz PVAYKXBYFZJWEH-MRXNPFEDSA-N 2 1 349.906 2.762 40 0 EFABMP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000195560497 474096624 /nfs/dbraw/zinc/09/66/24/474096624.db2.gz FCMVQVZPQRVGQH-PMACEKPBSA-N 2 1 343.515 2.671 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247551832 474179769 /nfs/dbraw/zinc/17/97/69/474179769.db2.gz WDBLFMSDUUZMCM-VQTJNVASSA-N 2 1 348.462 2.672 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247551832 474179775 /nfs/dbraw/zinc/17/97/75/474179775.db2.gz WDBLFMSDUUZMCM-VQTJNVASSA-N 2 1 348.462 2.672 40 0 EFABMP Cc1cccc(C[N@H+]2C[C@H](COCC3CC3)C3(C2)CC[NH+](C)CC3)n1 ZINC000248097489 474258371 /nfs/dbraw/zinc/25/83/71/474258371.db2.gz DEZBCZSSYVESPK-LJQANCHMSA-N 2 1 343.515 2.960 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)no1 ZINC000248158198 474272456 /nfs/dbraw/zinc/27/24/56/474272456.db2.gz WHWWXFOUTRCQFE-QGZVFWFLSA-N 2 1 333.476 2.553 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)no1 ZINC000248158198 474272461 /nfs/dbraw/zinc/27/24/61/474272461.db2.gz WHWWXFOUTRCQFE-QGZVFWFLSA-N 2 1 333.476 2.553 40 0 EFABMP Cc1nnc2n1C1(CC[NH+](Cc3cc(C)cc(C)c3)CC1)C[N@H+](C)C2 ZINC000306140709 474811259 /nfs/dbraw/zinc/81/12/59/474811259.db2.gz VBMNUJVTVPYPFE-UHFFFAOYSA-N 2 1 339.487 2.640 40 0 EFABMP Cc1nnc2n1C1(CC[NH+](Cc3cc(C)cc(C)c3)CC1)C[N@@H+](C)C2 ZINC000306140709 474811263 /nfs/dbraw/zinc/81/12/63/474811263.db2.gz VBMNUJVTVPYPFE-UHFFFAOYSA-N 2 1 339.487 2.640 40 0 EFABMP CNc1ncccc1C[N@H+]1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257291459 474937054 /nfs/dbraw/zinc/93/70/54/474937054.db2.gz QHANIWJDCZKHHG-OAHLLOKOSA-N 2 1 325.460 2.882 40 0 EFABMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](C3CCCC3)C2)OC1 ZINC000585103267 479284176 /nfs/dbraw/zinc/28/41/76/479284176.db2.gz ANIPLZYCANRVPT-SFHVURJKSA-N 2 1 329.488 2.937 40 0 EFABMP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](C3CCCC3)C2)OC1 ZINC000585103254 479284208 /nfs/dbraw/zinc/28/42/08/479284208.db2.gz ANIPLZYCANRVPT-GOSISDBHSA-N 2 1 329.488 2.937 40 0 EFABMP [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000100768867 219105741 /nfs/dbraw/zinc/10/57/41/219105741.db2.gz VQPTXBUFOPJWRI-RLLQIKCJSA-N 2 1 343.515 2.780 40 0 EFABMP Cc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1Br ZINC000072737702 216302528 /nfs/dbraw/zinc/30/25/28/216302528.db2.gz JTFSBCJSDBWSJO-UHFFFAOYSA-N 2 1 341.293 2.694 40 0 EFABMP c1csc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253596938 244032168 /nfs/dbraw/zinc/03/21/68/244032168.db2.gz YHQPVYQVOWOHRO-WMZOPIPTSA-N 2 1 336.501 2.594 40 0 EFABMP Nc1cc(CC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)cc[nH+]1 ZINC000257234065 244223140 /nfs/dbraw/zinc/22/31/40/244223140.db2.gz GRXOKROWBINHHB-QGZVFWFLSA-N 2 1 336.439 2.979 40 0 EFABMP C[N@H+]1CCC[C@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108726 /nfs/dbraw/zinc/10/87/26/218108726.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 2 1 349.563 2.685 40 0 EFABMP C[NH+]1CCC[C@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108729 /nfs/dbraw/zinc/10/87/29/218108729.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 2 1 349.563 2.685 40 0 EFABMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108732 /nfs/dbraw/zinc/10/87/32/218108732.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 2 1 349.563 2.685 40 0 EFABMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000095416616 218356318 /nfs/dbraw/zinc/35/63/18/218356318.db2.gz VCBUIUFDCRSZQI-KRWDZBQOSA-N 2 1 339.487 2.696 40 0 EFABMP Cc1ccccc1C[NH2+]C[C@H]1CC[C@@]2(COCC[N@H+](C(C)C)C2)O1 ZINC000306134874 257921412 /nfs/dbraw/zinc/92/14/12/257921412.db2.gz OAKBUENRMGKMFB-WOJBJXKFSA-N 2 1 332.488 2.743 40 0 EFABMP c1ccc(CC[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161743798 473257080 /nfs/dbraw/zinc/25/70/80/473257080.db2.gz ZYJDYRXRWZZSOG-UHFFFAOYSA-N 2 1 344.499 2.969 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3cccs3)C2)O1 ZINC000096052303 473275047 /nfs/dbraw/zinc/27/50/47/473275047.db2.gz QPYBOZQNUNPMEE-FUHWJXTLSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cccs3)C2)O1 ZINC000096052303 473275052 /nfs/dbraw/zinc/27/50/52/473275052.db2.gz QPYBOZQNUNPMEE-FUHWJXTLSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000096052303 473275060 /nfs/dbraw/zinc/27/50/60/473275060.db2.gz QPYBOZQNUNPMEE-FUHWJXTLSA-N 2 1 338.517 2.838 40 0 EFABMP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000082091706 473285996 /nfs/dbraw/zinc/28/59/96/473285996.db2.gz FCMVQVZPQRVGQH-UXHICEINSA-N 2 1 343.515 2.671 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000096158888 473318261 /nfs/dbraw/zinc/31/82/61/473318261.db2.gz DDVTZZACVKEGJY-FQEVSTJZSA-N 2 1 344.499 2.698 40 0 EFABMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccnc2)cn1 ZINC000096182898 473324725 /nfs/dbraw/zinc/32/47/25/473324725.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccnc2)cn1 ZINC000096182898 473324730 /nfs/dbraw/zinc/32/47/30/473324730.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2cccnc2)cn1 ZINC000096182898 473324738 /nfs/dbraw/zinc/32/47/38/473324738.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2cccnc2)cn1 ZINC000096182898 473324742 /nfs/dbraw/zinc/32/47/42/473324742.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 2 1 339.487 2.548 40 0 EFABMP Cc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCC[NH+](C)C)CC[C@@H]32)s1 ZINC000096186066 473325897 /nfs/dbraw/zinc/32/58/97/473325897.db2.gz DBCKAJMSWOWCEB-SZMVWBNQSA-N 2 1 338.517 2.757 40 0 EFABMP C[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000096207788 473342428 /nfs/dbraw/zinc/34/24/28/473342428.db2.gz CBKPYFIZPWXHRB-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096217987 473350042 /nfs/dbraw/zinc/35/00/42/473350042.db2.gz DSUZRTPKOLTACE-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1OC)C2 ZINC000096217987 473350046 /nfs/dbraw/zinc/35/00/46/473350046.db2.gz DSUZRTPKOLTACE-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1OC)C2 ZINC000096217987 473350052 /nfs/dbraw/zinc/35/00/52/473350052.db2.gz DSUZRTPKOLTACE-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1OC)C2 ZINC000096217987 473350062 /nfs/dbraw/zinc/35/00/62/473350062.db2.gz DSUZRTPKOLTACE-FPOVZHCZSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1)C2 ZINC000096219376 473351656 /nfs/dbraw/zinc/35/16/56/473351656.db2.gz FTFUZLVBSZSKEJ-SFTDATJTSA-N 2 1 328.500 2.909 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccccc1)C2 ZINC000096219376 473351664 /nfs/dbraw/zinc/35/16/64/473351664.db2.gz FTFUZLVBSZSKEJ-SFTDATJTSA-N 2 1 328.500 2.909 40 0 EFABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccccc1)C2 ZINC000096219376 473351667 /nfs/dbraw/zinc/35/16/67/473351667.db2.gz FTFUZLVBSZSKEJ-SFTDATJTSA-N 2 1 328.500 2.909 40 0 EFABMP O=C(C[N@@H+](CC1CC1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000069608096 472380330 /nfs/dbraw/zinc/38/03/30/472380330.db2.gz VKJOROMHENGULZ-UHFFFAOYSA-N 2 1 333.520 2.774 40 0 EFABMP CCOc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000057901343 472489732 /nfs/dbraw/zinc/48/97/32/472489732.db2.gz NRBGGLQWDXDFSQ-UHFFFAOYSA-N 2 1 345.281 2.898 40 0 EFABMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(CC[NH+]1CCCC1)CC2 ZINC000063527335 472787254 /nfs/dbraw/zinc/78/72/54/472787254.db2.gz WIVDLVMUNCXTIF-UHFFFAOYSA-N 2 1 346.519 2.818 40 0 EFABMP [NH2+]=CCC(=[NH2+])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000064220239 472836610 /nfs/dbraw/zinc/83/66/10/472836610.db2.gz XEQKJSRCKSAIGG-UHFFFAOYSA-N 2 1 333.745 2.893 40 0 EFABMP Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)s1 ZINC000107747120 472980740 /nfs/dbraw/zinc/98/07/40/472980740.db2.gz HEYIOBUAGCPJTH-CGTJXYLNSA-N 2 1 338.517 2.614 40 0 EFABMP CC(=O)Nc1cccc(C[N@@H+](C)C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000096443407 473421149 /nfs/dbraw/zinc/42/11/49/473421149.db2.gz IKJURWBQSATHKX-SFHVURJKSA-N 2 1 345.487 2.578 40 0 EFABMP CC(=O)Nc1cccc(C[N@H+](C)C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000096443407 473421156 /nfs/dbraw/zinc/42/11/56/473421156.db2.gz IKJURWBQSATHKX-SFHVURJKSA-N 2 1 345.487 2.578 40 0 EFABMP CC(=O)Nc1cccc(C[N@@H+](C)C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096443408 473421209 /nfs/dbraw/zinc/42/12/09/473421209.db2.gz IKJURWBQSATHKX-GOSISDBHSA-N 2 1 345.487 2.578 40 0 EFABMP CC(=O)Nc1cccc(C[N@H+](C)C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000096443408 473421216 /nfs/dbraw/zinc/42/12/16/473421216.db2.gz IKJURWBQSATHKX-GOSISDBHSA-N 2 1 345.487 2.578 40 0 EFABMP Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000096474697 473438678 /nfs/dbraw/zinc/43/86/78/473438678.db2.gz UJPUTRQXDLNFAW-OAHLLOKOSA-N 2 1 343.450 2.527 40 0 EFABMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000096485961 473444258 /nfs/dbraw/zinc/44/42/58/473444258.db2.gz BINBEMNIZBJOAO-QGZVFWFLSA-N 2 1 332.492 2.743 40 0 EFABMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000096485961 473444264 /nfs/dbraw/zinc/44/42/64/473444264.db2.gz BINBEMNIZBJOAO-QGZVFWFLSA-N 2 1 332.492 2.743 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000248153204 474270244 /nfs/dbraw/zinc/27/02/44/474270244.db2.gz YIMMSJKPSSVFQZ-HKUYNNGSSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)o1 ZINC000248153204 474270248 /nfs/dbraw/zinc/27/02/48/474270248.db2.gz YIMMSJKPSSVFQZ-HKUYNNGSSA-N 2 1 336.476 2.536 40 0 EFABMP Cc1cc(-n2ccnc2)ccc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248916725 474484088 /nfs/dbraw/zinc/48/40/88/474484088.db2.gz ZZLFYXWBAQBSSA-RTBURBONSA-N 2 1 327.428 2.561 40 0 EFABMP CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000306135812 474810748 /nfs/dbraw/zinc/81/07/48/474810748.db2.gz PBQYRVZWIZNVHO-GIVPXCGWSA-N 2 1 342.531 2.851 40 0 EFABMP CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]21 ZINC000306135812 474810755 /nfs/dbraw/zinc/81/07/55/474810755.db2.gz PBQYRVZWIZNVHO-GIVPXCGWSA-N 2 1 342.531 2.851 40 0 EFABMP Cc1cc(C[N@H+]2CCc3nc(C4CC[NH2+]CC4)[nH]c(=O)c3C2)cs1 ZINC000257280917 474930329 /nfs/dbraw/zinc/93/03/29/474930329.db2.gz OMYHVMWHTRDWJH-UHFFFAOYSA-N 2 1 344.484 2.577 40 0 EFABMP CNc1ncccc1C[N@H+]1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257291458 474936856 /nfs/dbraw/zinc/93/68/56/474936856.db2.gz QHANIWJDCZKHHG-HNNXBMFYSA-N 2 1 325.460 2.882 40 0 EFABMP Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](C)CC3CC[NH+](C)CC3)[C@H]2O)c1 ZINC000585288576 479310070 /nfs/dbraw/zinc/31/00/70/479310070.db2.gz FCFVKWFDOCIWRE-PWRODBHTSA-N 2 1 346.515 2.929 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000585087349 546371128 /nfs/dbraw/zinc/37/11/28/546371128.db2.gz SIXQNRPVUQMNGQ-DFQSSKMNSA-N 2 1 339.487 2.688 40 0 EFABMP CCn1nncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000585087349 546371134 /nfs/dbraw/zinc/37/11/34/546371134.db2.gz SIXQNRPVUQMNGQ-DFQSSKMNSA-N 2 1 339.487 2.688 40 0 EFABMP C[N@H+](Cc1cc(CC2([NH2+]C3CCC3)COC2)no1)Cc1ccccc1 ZINC000067898104 215246338 /nfs/dbraw/zinc/24/63/38/215246338.db2.gz CIQGQHSYAVXOHG-UHFFFAOYSA-N 2 1 341.455 2.760 40 0 biogenic,in-vitro EFABMP C[N@@H+](Cc1cc(CC2([NH2+]C3CCC3)COC2)no1)Cc1ccccc1 ZINC000067898104 215246340 /nfs/dbraw/zinc/24/63/40/215246340.db2.gz CIQGQHSYAVXOHG-UHFFFAOYSA-N 2 1 341.455 2.760 40 0 biogenic,in-vitro EFABMP Cc1[nH+]ccn1CCCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257339318 240314216 /nfs/dbraw/zinc/31/42/16/240314216.db2.gz ZBFXHUONKPIBQY-UHFFFAOYSA-N 2 1 349.438 2.532 40 0 EFABMP CC[NH+]1CCC([N@@H+]2CCC[C@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246632 244258538 /nfs/dbraw/zinc/25/85/38/244258538.db2.gz IVALTTRWCDBQDZ-INIZCTEOSA-N 2 1 327.476 2.632 40 0 EFABMP CC[NH+]1CCC([N@H+]2CCC[C@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246632 244258540 /nfs/dbraw/zinc/25/85/40/244258540.db2.gz IVALTTRWCDBQDZ-INIZCTEOSA-N 2 1 327.476 2.632 40 0 EFABMP Nc1cc(CC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)cc[nH+]1 ZINC000257234064 244224210 /nfs/dbraw/zinc/22/42/10/244224210.db2.gz GRXOKROWBINHHB-KRWDZBQOSA-N 2 1 336.439 2.979 40 0 EFABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000019288000 212011243 /nfs/dbraw/zinc/01/12/43/212011243.db2.gz IELDZEGULBXQPP-UHFFFAOYSA-N 2 1 336.439 2.767 40 0 EFABMP Cc1cc(C[NH2+]Cc2cccc(NC(=O)C[NH+](C)C)c2)ccc1F ZINC000078552323 217073613 /nfs/dbraw/zinc/07/36/13/217073613.db2.gz QJFSNGYPTUVPJB-UHFFFAOYSA-N 2 1 329.419 2.924 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404756 217220231 /nfs/dbraw/zinc/22/02/31/217220231.db2.gz WBAQSTYLPZVOCK-OALUTQOASA-N 2 1 329.488 2.625 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404796 217221026 /nfs/dbraw/zinc/22/10/26/217221026.db2.gz JBDPPEFWHWNSQE-ICSRJNTNSA-N 2 1 343.515 2.873 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415899 217223994 /nfs/dbraw/zinc/22/39/94/217223994.db2.gz RPBSGBNOOGDURV-OALUTQOASA-N 2 1 331.504 2.871 40 0 EFABMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132908 218195922 /nfs/dbraw/zinc/19/59/22/218195922.db2.gz XQKXLOPZIRQYAJ-LJQANCHMSA-N 2 1 343.515 2.612 40 0 EFABMP CC1=C(Br)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000330031858 258003124 /nfs/dbraw/zinc/00/31/24/258003124.db2.gz FCJBEWFRSAMYCY-UHFFFAOYSA-N 2 1 344.341 2.777 40 0 EFABMP C[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096208163 277022938 /nfs/dbraw/zinc/02/29/38/277022938.db2.gz MRVARIQBDDCYCG-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000095951349 473228535 /nfs/dbraw/zinc/22/85/35/473228535.db2.gz LUPMAGUQDYONAN-YPAWHYETSA-N 2 1 349.478 2.728 40 0 biogenic EFABMP CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000095951349 473228538 /nfs/dbraw/zinc/22/85/38/473228538.db2.gz LUPMAGUQDYONAN-YPAWHYETSA-N 2 1 349.478 2.728 40 0 biogenic EFABMP c1csc(C[NH+]2CCC3(CC[N@@H+](CC4CCOCC4)C3)CC2)n1 ZINC000096046623 473266700 /nfs/dbraw/zinc/26/67/00/473266700.db2.gz VJJPHSQDIYPYNB-UHFFFAOYSA-N 2 1 335.517 2.858 40 0 EFABMP c1csc(C[NH+]2CCC3(CC[N@H+](CC4CCOCC4)C3)CC2)n1 ZINC000096046623 473266709 /nfs/dbraw/zinc/26/67/09/473266709.db2.gz VJJPHSQDIYPYNB-UHFFFAOYSA-N 2 1 335.517 2.858 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048019 473268092 /nfs/dbraw/zinc/26/80/92/473268092.db2.gz PAXWXNVFJQXJLX-SFHVURJKSA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048068 473268177 /nfs/dbraw/zinc/26/81/77/473268177.db2.gz OJFPGAYCGYMRCY-GOSISDBHSA-N 2 1 341.455 2.930 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096055179 473279546 /nfs/dbraw/zinc/27/95/46/473279546.db2.gz UCHVROFCVYEEKD-UYAOXDASSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096055179 473279559 /nfs/dbraw/zinc/27/95/59/473279559.db2.gz UCHVROFCVYEEKD-UYAOXDASSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096055179 473279570 /nfs/dbraw/zinc/27/95/70/473279570.db2.gz UCHVROFCVYEEKD-UYAOXDASSA-N 2 1 341.455 2.706 40 0 EFABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccoc3)C[C@@H]21 ZINC000096056294 473280413 /nfs/dbraw/zinc/28/04/13/473280413.db2.gz XYDKBINDCMYMLF-YTQUADARSA-N 2 1 330.428 2.842 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000096056294 473280422 /nfs/dbraw/zinc/28/04/22/473280422.db2.gz XYDKBINDCMYMLF-YTQUADARSA-N 2 1 330.428 2.842 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000096056294 473280430 /nfs/dbraw/zinc/28/04/30/473280430.db2.gz XYDKBINDCMYMLF-YTQUADARSA-N 2 1 330.428 2.842 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096073276 473289876 /nfs/dbraw/zinc/28/98/76/473289876.db2.gz JOKLBSPFKZXZCK-GOSISDBHSA-N 2 1 348.487 2.762 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C)C2)s1 ZINC000096185669 473326534 /nfs/dbraw/zinc/32/65/34/473326534.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 2 1 330.501 2.848 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C)C2)s1 ZINC000096185669 473326540 /nfs/dbraw/zinc/32/65/40/473326540.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 2 1 330.501 2.848 40 0 EFABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[NH+]3C)C2)s1 ZINC000096185669 473326546 /nfs/dbraw/zinc/32/65/46/473326546.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 2 1 330.501 2.848 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[NH+]3C)C2)s1 ZINC000096185669 473326552 /nfs/dbraw/zinc/32/65/52/473326552.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 2 1 330.501 2.848 40 0 EFABMP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCN(CC[NH+]1CCCC1)C2=O ZINC000096201710 473339272 /nfs/dbraw/zinc/33/92/72/473339272.db2.gz FGDWLPOMXUMOAY-VQIMIIECSA-N 2 1 347.528 2.514 40 0 EFABMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC000096216766 473349706 /nfs/dbraw/zinc/34/97/06/473349706.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC000096216766 473349714 /nfs/dbraw/zinc/34/97/14/473349714.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC000096216766 473349722 /nfs/dbraw/zinc/34/97/22/473349722.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC000096216766 473349729 /nfs/dbraw/zinc/34/97/29/473349729.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1scnc1C)C2 ZINC000096220173 473353673 /nfs/dbraw/zinc/35/36/73/473353673.db2.gz MKZLHDFNAFOHLO-AEFFLSMTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1scnc1C)C2 ZINC000096220173 473353676 /nfs/dbraw/zinc/35/36/76/473353676.db2.gz MKZLHDFNAFOHLO-AEFFLSMTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1scnc1C)C2 ZINC000096220173 473353681 /nfs/dbraw/zinc/35/36/81/473353681.db2.gz MKZLHDFNAFOHLO-AEFFLSMTSA-N 2 1 335.517 2.632 40 0 EFABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1scnc1C)C2 ZINC000096220173 473353685 /nfs/dbraw/zinc/35/36/85/473353685.db2.gz MKZLHDFNAFOHLO-AEFFLSMTSA-N 2 1 335.517 2.632 40 0 EFABMP C[N@H+](Cc1ccccn1)[C@H]1CO[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096219877 473354299 /nfs/dbraw/zinc/35/42/99/473354299.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 2 1 327.428 2.540 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@H]1CO[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096219877 473354306 /nfs/dbraw/zinc/35/43/06/473354306.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096219877 473354310 /nfs/dbraw/zinc/35/43/10/473354310.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096219877 473354317 /nfs/dbraw/zinc/35/43/17/473354317.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 2 1 327.428 2.540 40 0 EFABMP CC[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O2 ZINC000096242699 473363111 /nfs/dbraw/zinc/36/31/11/473363111.db2.gz XOJHPVVWCYTYGR-SFHVURJKSA-N 2 1 340.471 2.888 40 0 EFABMP C[NH+]1CCN(c2c3ccccc3oc(=O)c2C[NH+]2CCCCC2)CC1 ZINC000000272765 471342827 /nfs/dbraw/zinc/34/28/27/471342827.db2.gz QRRLMHKMKWYUKM-UHFFFAOYSA-N 2 1 341.455 2.531 40 0 EFABMP CNc1cc(C[N@H+](C)Cc2cccc(C)c2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760085 471984519 /nfs/dbraw/zinc/98/45/19/471984519.db2.gz SZUNRHTYDBAZLR-QGZVFWFLSA-N 2 1 325.460 2.883 40 0 EFABMP CNc1cc(C[N@@H+](C)Cc2cccc(C)c2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760085 471984523 /nfs/dbraw/zinc/98/45/23/471984523.db2.gz SZUNRHTYDBAZLR-QGZVFWFLSA-N 2 1 325.460 2.883 40 0 EFABMP CNc1cc(C[N@@H+](C)CCc2ccccc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760064 471984779 /nfs/dbraw/zinc/98/47/79/471984779.db2.gz GTUUXFNWSFPCCR-KRWDZBQOSA-N 2 1 325.460 2.617 40 0 EFABMP CNc1cc(C[N@@H+](C)CCc2ccccc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760068 471985032 /nfs/dbraw/zinc/98/50/32/471985032.db2.gz GTUUXFNWSFPCCR-QGZVFWFLSA-N 2 1 325.460 2.617 40 0 EFABMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000097228502 472483577 /nfs/dbraw/zinc/48/35/77/472483577.db2.gz WWFNXKLAUUMVQA-ZDUSSCGKSA-N 2 1 335.473 2.655 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415943 472861375 /nfs/dbraw/zinc/86/13/75/472861375.db2.gz ORDBMOFQEYCKSQ-FQEVSTJZSA-N 2 1 343.515 2.873 40 0 EFABMP COC[C@@H]1C[N@@H+](CC(C)C)CC12CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000248032241 474247985 /nfs/dbraw/zinc/24/79/85/474247985.db2.gz LNSFBUVWMYTKHY-SFHVURJKSA-N 2 1 348.535 2.545 40 0 EFABMP Cc1cccc(C[N@H+]2C[C@@H](COCC3CC3)C3(C2)CC[NH+](C)CC3)n1 ZINC000248097479 474259157 /nfs/dbraw/zinc/25/91/57/474259157.db2.gz DEZBCZSSYVESPK-IBGZPJMESA-N 2 1 343.515 2.960 40 0 EFABMP C[N@H+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000248140261 474268854 /nfs/dbraw/zinc/26/88/54/474268854.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 2 1 327.428 2.540 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000248140261 474268859 /nfs/dbraw/zinc/26/88/59/474268859.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000248140261 474268870 /nfs/dbraw/zinc/26/88/70/474268870.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000248140261 474268875 /nfs/dbraw/zinc/26/88/75/474268875.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 2 1 327.428 2.540 40 0 EFABMP C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000253604042 474771359 /nfs/dbraw/zinc/77/13/59/474771359.db2.gz RLUNQUGUQYERAZ-ZNMIVQPWSA-N 2 1 328.460 2.639 40 0 EFABMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000585272913 479304773 /nfs/dbraw/zinc/30/47/73/479304773.db2.gz NITZVHDXTYDNGZ-FQEVSTJZSA-N 2 1 328.456 2.792 40 0 EFABMP COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019570643 212044379 /nfs/dbraw/zinc/04/43/79/212044379.db2.gz VRTPOAGPMHAVGC-HNNXBMFYSA-N 2 1 338.455 2.511 40 0 EFABMP COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019570643 212044381 /nfs/dbraw/zinc/04/43/81/212044381.db2.gz VRTPOAGPMHAVGC-HNNXBMFYSA-N 2 1 338.455 2.511 40 0 EFABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000079415851 217223951 /nfs/dbraw/zinc/22/39/51/217223951.db2.gz MAPIXEMDPPZCGS-MOPGFXCFSA-N 2 1 331.504 2.730 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1CC1)CC2 ZINC000096240341 285254438 /nfs/dbraw/zinc/25/44/38/285254438.db2.gz XYCRGGPYCUCEGF-INIZCTEOSA-N 2 1 335.517 2.856 40 0 EFABMP COc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000049170129 274104192 /nfs/dbraw/zinc/10/41/92/274104192.db2.gz GOSUCVWKGKQRLQ-HNNXBMFYSA-N 2 1 342.443 2.629 40 0 biogenic,in-vitro EFABMP COc1ccc(-c2nnc([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000049170129 274104194 /nfs/dbraw/zinc/10/41/94/274104194.db2.gz GOSUCVWKGKQRLQ-HNNXBMFYSA-N 2 1 342.443 2.629 40 0 biogenic,in-vitro EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000079404692 280271614 /nfs/dbraw/zinc/27/16/14/280271614.db2.gz DVJZTSQKUMMMOB-OALUTQOASA-N 2 1 331.504 2.871 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415886 280272335 /nfs/dbraw/zinc/27/23/35/280272335.db2.gz YDKIQWRKZAIAAZ-MOPGFXCFSA-N 2 1 331.504 2.871 40 0 EFABMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123696707 323216469 /nfs/dbraw/zinc/21/64/69/323216469.db2.gz VGCPTLVXNDXEMQ-AEFFLSMTSA-N 2 1 341.421 2.923 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048043 473269517 /nfs/dbraw/zinc/26/95/17/473269517.db2.gz HLVGCWYRHODOAV-SFHVURJKSA-N 2 1 341.455 2.930 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052021 473276627 /nfs/dbraw/zinc/27/66/27/473276627.db2.gz UBJDVHBBLSDMBF-QUCCMNQESA-N 2 1 348.462 2.529 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052021 473276633 /nfs/dbraw/zinc/27/66/33/473276633.db2.gz UBJDVHBBLSDMBF-QUCCMNQESA-N 2 1 348.462 2.529 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052337 473276842 /nfs/dbraw/zinc/27/68/42/473276842.db2.gz WDBLFMSDUUZMCM-UXHICEINSA-N 2 1 348.462 2.672 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000096052337 473276851 /nfs/dbraw/zinc/27/68/51/473276851.db2.gz WDBLFMSDUUZMCM-UXHICEINSA-N 2 1 348.462 2.672 40 0 EFABMP c1csc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096057920 473280495 /nfs/dbraw/zinc/28/04/95/473280495.db2.gz HLCOROORYALAEV-RCCFBDPRSA-N 2 1 336.501 2.592 40 0 EFABMP c1csc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096057920 473280504 /nfs/dbraw/zinc/28/05/04/473280504.db2.gz HLCOROORYALAEV-RCCFBDPRSA-N 2 1 336.501 2.592 40 0 EFABMP CC[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cncn1C)c1ccccc1O2 ZINC000096079755 473291012 /nfs/dbraw/zinc/29/10/12/473291012.db2.gz LJNAWVXYPWOKLI-GOSISDBHSA-N 2 1 340.471 2.888 40 0 EFABMP CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080583 473291147 /nfs/dbraw/zinc/29/11/47/473291147.db2.gz PEZVVCFAXYMTME-APWZRJJASA-N 2 1 342.487 2.709 40 0 EFABMP CCC[NH+]1CCC([N@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080583 473291153 /nfs/dbraw/zinc/29/11/53/473291153.db2.gz PEZVVCFAXYMTME-APWZRJJASA-N 2 1 342.487 2.709 40 0 EFABMP Cn1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccccn4)C3)CC2)cn1 ZINC000096159259 473320139 /nfs/dbraw/zinc/32/01/39/473320139.db2.gz RYUYDVDTUPNZLR-UHFFFAOYSA-N 2 1 339.487 2.692 40 0 EFABMP Cn1cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC000096158826 473317981 /nfs/dbraw/zinc/31/79/81/473317981.db2.gz FKDMOQUEOURREY-UHFFFAOYSA-N 2 1 345.512 2.954 40 0 EFABMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC000096158873 473318445 /nfs/dbraw/zinc/31/84/45/473318445.db2.gz MTKXNISPEYAMML-UHFFFAOYSA-N 2 1 330.472 2.772 40 0 EFABMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC4CC4)CC3)C2)c1 ZINC000096158873 473318451 /nfs/dbraw/zinc/31/84/51/473318451.db2.gz MTKXNISPEYAMML-UHFFFAOYSA-N 2 1 330.472 2.772 40 0 EFABMP C[NH+](C)CCOC[C@H]1CCC[C@]12C[N@@H+](Cc1ccccc1)CCO2 ZINC000096159885 473320523 /nfs/dbraw/zinc/32/05/23/473320523.db2.gz SPBZPCYRMAOLCL-UXHICEINSA-N 2 1 332.488 2.636 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC[NH+]2CCCC2)s1 ZINC000096186293 473326127 /nfs/dbraw/zinc/32/61/27/473326127.db2.gz FWNWONDSPIUMHG-ROUUACIJSA-N 2 1 347.528 2.718 40 0 EFABMP C[N@H+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[NH+](Cc3ccoc3)CC[C@@H]12 ZINC000096185364 473327362 /nfs/dbraw/zinc/32/73/62/473327362.db2.gz IQMPOSXLOQZEDD-AQNXPRMDSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096185364 473327369 /nfs/dbraw/zinc/32/73/69/473327369.db2.gz IQMPOSXLOQZEDD-AQNXPRMDSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096185364 473327373 /nfs/dbraw/zinc/32/73/73/473327373.db2.gz IQMPOSXLOQZEDD-AQNXPRMDSA-N 2 1 341.455 2.644 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1cccnc1OC)CC2 ZINC000096206092 473340044 /nfs/dbraw/zinc/34/00/44/473340044.db2.gz ATXJDOGTESTMPX-GOSISDBHSA-N 2 1 347.503 2.802 40 0 EFABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1ccccc1)CC2 ZINC000096206164 473340794 /nfs/dbraw/zinc/34/07/94/473340794.db2.gz QMORYZOZXRHQJD-LJQANCHMSA-N 2 1 332.488 2.636 40 0 EFABMP COc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096208507 473344189 /nfs/dbraw/zinc/34/41/89/473344189.db2.gz ITOZRXVNKFPQBP-AZUAARDMSA-N 2 1 330.472 2.915 40 0 EFABMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3)C2)C1 ZINC000096209878 473346483 /nfs/dbraw/zinc/34/64/83/473346483.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 2 1 328.500 2.909 40 0 EFABMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096209878 473346489 /nfs/dbraw/zinc/34/64/89/473346489.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 2 1 328.500 2.909 40 0 EFABMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096209878 473346493 /nfs/dbraw/zinc/34/64/93/473346493.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 2 1 328.500 2.909 40 0 EFABMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)O2)CC1 ZINC000096218954 473352283 /nfs/dbraw/zinc/35/22/83/473352283.db2.gz RRBDUIABYFMICP-PKOBYXMFSA-N 2 1 349.544 2.509 40 0 EFABMP CN1CC[NH+](C[C@@H]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)O2)CC1 ZINC000096218954 473352289 /nfs/dbraw/zinc/35/22/89/473352289.db2.gz RRBDUIABYFMICP-PKOBYXMFSA-N 2 1 349.544 2.509 40 0 EFABMP CN1CC[NH+](C[C@@H]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)O2)CC1 ZINC000096218954 473352292 /nfs/dbraw/zinc/35/22/92/473352292.db2.gz RRBDUIABYFMICP-PKOBYXMFSA-N 2 1 349.544 2.509 40 0 EFABMP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348927 /nfs/dbraw/zinc/34/89/27/473348927.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 2 1 338.879 2.619 40 0 EFABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348935 /nfs/dbraw/zinc/34/89/35/473348935.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 2 1 338.879 2.619 40 0 EFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348944 /nfs/dbraw/zinc/34/89/44/473348944.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 2 1 338.879 2.619 40 0 EFABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348949 /nfs/dbraw/zinc/34/89/49/473348949.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 2 1 338.879 2.619 40 0 EFABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000096220248 473354593 /nfs/dbraw/zinc/35/45/93/473354593.db2.gz VGPREDIGAOMVRC-SJLPKXTDSA-N 2 1 338.879 2.904 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)cc1 ZINC000096249666 473363977 /nfs/dbraw/zinc/36/39/77/473363977.db2.gz ICGKXPMQEIOSNB-TZIWHRDSSA-N 2 1 344.499 2.697 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)cc1 ZINC000096249666 473363980 /nfs/dbraw/zinc/36/39/80/473363980.db2.gz ICGKXPMQEIOSNB-TZIWHRDSSA-N 2 1 344.499 2.697 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)cc1 ZINC000096249666 473363990 /nfs/dbraw/zinc/36/39/90/473363990.db2.gz ICGKXPMQEIOSNB-TZIWHRDSSA-N 2 1 344.499 2.697 40 0 EFABMP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@@H+]2Cc2ccccc2C)n1 ZINC000019760617 471984327 /nfs/dbraw/zinc/98/43/27/471984327.db2.gz HLNIEHCTRPBAMS-KRWDZBQOSA-N 2 1 325.460 2.883 40 0 EFABMP CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@H+]2Cc2ccccc2C)n1 ZINC000019760617 471984329 /nfs/dbraw/zinc/98/43/29/471984329.db2.gz HLNIEHCTRPBAMS-KRWDZBQOSA-N 2 1 325.460 2.883 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079391082 472855985 /nfs/dbraw/zinc/85/59/85/472855985.db2.gz XVWSNXCGZHYLJG-MOPGFXCFSA-N 2 1 329.488 2.625 40 0 EFABMP COc1cccc([C@H]2[C@@H](NC3CC[NH+](C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000195554146 474094467 /nfs/dbraw/zinc/09/44/67/474094467.db2.gz DILBIQPHBVSQLP-PMACEKPBSA-N 2 1 329.488 2.657 40 0 EFABMP COc1cccc([C@H]2[C@@H](NC3CC[NH+](C)CC3)CC[N@H+]2C2CC2)c1 ZINC000195554146 474094471 /nfs/dbraw/zinc/09/44/71/474094471.db2.gz DILBIQPHBVSQLP-PMACEKPBSA-N 2 1 329.488 2.657 40 0 EFABMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000195560492 474096525 /nfs/dbraw/zinc/09/65/25/474096525.db2.gz FCMVQVZPQRVGQH-WOJBJXKFSA-N 2 1 343.515 2.671 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247551823 474180308 /nfs/dbraw/zinc/18/03/08/474180308.db2.gz WDBLFMSDUUZMCM-PMACEKPBSA-N 2 1 348.462 2.672 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)cc1 ZINC000247551823 474180317 /nfs/dbraw/zinc/18/03/17/474180317.db2.gz WDBLFMSDUUZMCM-PMACEKPBSA-N 2 1 348.462 2.672 40 0 EFABMP COCC[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C1CCC1)CC2 ZINC000247896372 474222744 /nfs/dbraw/zinc/22/27/44/474222744.db2.gz UXUGYURLLIEADA-SFHVURJKSA-N 2 1 336.520 2.626 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)no1 ZINC000248158196 474271899 /nfs/dbraw/zinc/27/18/99/474271899.db2.gz WHWWXFOUTRCQFE-KRWDZBQOSA-N 2 1 333.476 2.553 40 0 EFABMP Cc1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)no1 ZINC000248158196 474271904 /nfs/dbraw/zinc/27/19/04/474271904.db2.gz WHWWXFOUTRCQFE-KRWDZBQOSA-N 2 1 333.476 2.553 40 0 EFABMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000252539129 474695141 /nfs/dbraw/zinc/69/51/41/474695141.db2.gz NSYMQKMCAVPJLY-QQXKLLMISA-N 2 1 338.536 2.917 40 0 EFABMP CC(C)[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccccc3)n12 ZINC000306135205 474810319 /nfs/dbraw/zinc/81/03/19/474810319.db2.gz OKVPFKXJSCHHNH-UHFFFAOYSA-N 2 1 325.460 2.590 40 0 EFABMP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccccc3)n12 ZINC000306135205 474810325 /nfs/dbraw/zinc/81/03/25/474810325.db2.gz OKVPFKXJSCHHNH-UHFFFAOYSA-N 2 1 325.460 2.590 40 0 EFABMP Cc1ncsc1CN1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257319991 474951299 /nfs/dbraw/zinc/95/12/99/474951299.db2.gz VUWXRSAUDWSJMU-MRXNPFEDSA-N 2 1 332.473 2.794 40 0 EFABMP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1c[nH]cn1)Cc1ccccc1O2 ZINC000019592012 202014698 /nfs/dbraw/zinc/01/46/98/202014698.db2.gz IFUIBUHZFWPTNA-UHFFFAOYSA-N 2 1 326.444 2.705 40 0 EFABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1O2 ZINC000019592012 202014703 /nfs/dbraw/zinc/01/47/03/202014703.db2.gz IFUIBUHZFWPTNA-UHFFFAOYSA-N 2 1 326.444 2.705 40 0 EFABMP CC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000225798265 240232041 /nfs/dbraw/zinc/23/20/41/240232041.db2.gz FZTNILPKQWBBHC-IBGZPJMESA-N 2 1 331.504 2.886 40 0 EFABMP COCC[NH+]1CCC2(C[C@@H]([NH+]3CCOCC3)c3cc(C)ccc32)CC1 ZINC000096241777 285014130 /nfs/dbraw/zinc/01/41/30/285014130.db2.gz AMBDXJMHGMOLNZ-HXUWFJFHSA-N 2 1 344.499 2.752 40 0 EFABMP C[N@@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048072 473269575 /nfs/dbraw/zinc/26/95/75/473269575.db2.gz WKBBYZADYUYYTF-LJQANCHMSA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281794 /nfs/dbraw/zinc/28/17/94/473281794.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 2 1 341.455 2.644 40 0 EFABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281802 /nfs/dbraw/zinc/28/18/02/473281802.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281808 /nfs/dbraw/zinc/28/18/08/473281808.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281813 /nfs/dbraw/zinc/28/18/13/473281813.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 2 1 341.455 2.644 40 0 EFABMP CC(=O)N1[C@@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]21 ZINC000096064379 473287714 /nfs/dbraw/zinc/28/77/14/473287714.db2.gz WFGGOUAJDCEZMY-LMMKCTJWSA-N 2 1 347.528 2.655 40 0 EFABMP c1cncc(C[N@@H+]2CCCC3(CCN(CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096071859 473289927 /nfs/dbraw/zinc/28/99/27/473289927.db2.gz RDMYEQWNWNXKGP-UHFFFAOYSA-N 2 1 342.531 2.855 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000096158889 473318016 /nfs/dbraw/zinc/31/80/16/473318016.db2.gz DDVTZZACVKEGJY-HXUWFJFHSA-N 2 1 344.499 2.698 40 0 EFABMP C[N@H+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[NH+](Cc3ccco3)CC[C@@H]12 ZINC000096185363 473325735 /nfs/dbraw/zinc/32/57/35/473325735.db2.gz YEBZJXDBMHHEAX-RLLQIKCJSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccco3)CC[C@@H]12 ZINC000096185363 473325740 /nfs/dbraw/zinc/32/57/40/473325740.db2.gz YEBZJXDBMHHEAX-RLLQIKCJSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccco3)CC[C@@H]12 ZINC000096185363 473325745 /nfs/dbraw/zinc/32/57/45/473325745.db2.gz YEBZJXDBMHHEAX-RLLQIKCJSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](C)CCOCc1cncc2c1CC[N@H+](Cc1cccs1)C2 ZINC000096189335 473331141 /nfs/dbraw/zinc/33/11/41/473331141.db2.gz CHRLAZLYSBBWFH-UHFFFAOYSA-N 2 1 331.485 2.780 40 0 EFABMP C[NH+](C)CCOCc1cncc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096189335 473331145 /nfs/dbraw/zinc/33/11/45/473331145.db2.gz CHRLAZLYSBBWFH-UHFFFAOYSA-N 2 1 331.485 2.780 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)CO1 ZINC000096224941 473356707 /nfs/dbraw/zinc/35/67/07/473356707.db2.gz LTJKTOHEKOHIHM-GOSISDBHSA-N 2 1 334.508 2.522 40 0 EFABMP C[NH+](C)CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096229855 473358462 /nfs/dbraw/zinc/35/84/62/473358462.db2.gz YKRHNFJTSOWWDU-GOSISDBHSA-N 2 1 335.517 2.657 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC1CC1)CC2 ZINC000096240367 473362321 /nfs/dbraw/zinc/36/23/21/473362321.db2.gz OTYDVEJMMPOVOX-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP CNc1cc(C[N@H+](C)Cc2cccc(C)c2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760082 471983986 /nfs/dbraw/zinc/98/39/86/471983986.db2.gz SZUNRHTYDBAZLR-KRWDZBQOSA-N 2 1 325.460 2.883 40 0 EFABMP CNc1cc(C[N@@H+](C)Cc2cccc(C)c2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760082 471983992 /nfs/dbraw/zinc/98/39/92/471983992.db2.gz SZUNRHTYDBAZLR-KRWDZBQOSA-N 2 1 325.460 2.883 40 0 EFABMP CNc1cc(C[N@H+](C)Cc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759808 471984751 /nfs/dbraw/zinc/98/47/51/471984751.db2.gz DHYOPPITHNRYFZ-INIZCTEOSA-N 2 1 329.423 2.714 40 0 EFABMP CNc1cc(C[N@@H+](C)Cc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759808 471984756 /nfs/dbraw/zinc/98/47/56/471984756.db2.gz DHYOPPITHNRYFZ-INIZCTEOSA-N 2 1 329.423 2.714 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391092 472856071 /nfs/dbraw/zinc/85/60/71/472856071.db2.gz XUFXQIWHPUPJLV-MOPGFXCFSA-N 2 1 329.488 2.625 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079391084 472856626 /nfs/dbraw/zinc/85/66/26/472856626.db2.gz XVWSNXCGZHYLJG-OALUTQOASA-N 2 1 329.488 2.625 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415898 472861264 /nfs/dbraw/zinc/86/12/64/472861264.db2.gz JTIAEFDCMSYPFH-MOPGFXCFSA-N 2 1 331.504 2.729 40 0 EFABMP CCOC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000096415087 473393885 /nfs/dbraw/zinc/39/38/85/473393885.db2.gz DMXSSDOEXPGJKR-OAHLLOKOSA-N 2 1 333.476 2.828 40 0 EFABMP [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000257319081 474951186 /nfs/dbraw/zinc/95/11/86/474951186.db2.gz VQPTXBUFOPJWRI-IHPCNDPISA-N 2 1 343.515 2.780 40 0 EFABMP C[NH+](C)CCc1ccc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)cc1 ZINC000585141208 479299480 /nfs/dbraw/zinc/29/94/80/479299480.db2.gz RATMKWDSPJBQQS-GOSISDBHSA-N 2 1 341.459 2.533 40 0 EFABMP C[NH+](C)CCc1ccc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)cc1 ZINC000585141208 479299487 /nfs/dbraw/zinc/29/94/87/479299487.db2.gz RATMKWDSPJBQQS-GOSISDBHSA-N 2 1 341.459 2.533 40 0 EFABMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290058 479310644 /nfs/dbraw/zinc/31/06/44/479310644.db2.gz QVNYDVOKNBNGSZ-RCCFBDPRSA-N 2 1 338.879 2.685 40 0 EFABMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)C(F)(F)F ZINC000195577372 241024399 /nfs/dbraw/zinc/02/43/99/241024399.db2.gz FXWDRVDOODGFDE-UMVBOHGHSA-N 2 1 330.394 2.656 40 0 EFABMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000078552977 217073371 /nfs/dbraw/zinc/07/33/71/217073371.db2.gz FLPAMEMURKRSNZ-UHFFFAOYSA-N 2 1 326.488 2.598 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404775 217221069 /nfs/dbraw/zinc/22/10/69/217221069.db2.gz VDSYMKVGFGGHHM-MOPGFXCFSA-N 2 1 329.488 2.625 40 0 EFABMP CC[N@@H+](Cc1ccccc1)C1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000079415864 217223925 /nfs/dbraw/zinc/22/39/25/217223925.db2.gz GAHXESDVRZYYBY-ACBHZAAOSA-N 2 1 331.504 2.919 40 0 EFABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000079415844 217223447 /nfs/dbraw/zinc/22/34/47/217223447.db2.gz PCRUDJRGQDKPHN-MOPGFXCFSA-N 2 1 331.504 2.873 40 0 EFABMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000330032890 258002558 /nfs/dbraw/zinc/00/25/58/258002558.db2.gz TYXAQYGIIQSSTI-UHFFFAOYSA-N 2 1 325.447 2.813 40 0 EFABMP Cc1ccc(C(=O)CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000158700118 225070075 /nfs/dbraw/zinc/07/00/75/225070075.db2.gz GCQLLKXVUCGYNR-UHFFFAOYSA-N 2 1 330.472 2.612 40 0 EFABMP CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079404664 276136255 /nfs/dbraw/zinc/13/62/55/276136255.db2.gz QISDJJMZIQYXSQ-OALUTQOASA-N 2 1 331.504 2.873 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048047 473268852 /nfs/dbraw/zinc/26/88/52/473268852.db2.gz FWYHMRXLVKEIGG-IBGZPJMESA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048069 473269788 /nfs/dbraw/zinc/26/97/88/473269788.db2.gz OJFPGAYCGYMRCY-SFHVURJKSA-N 2 1 341.455 2.930 40 0 EFABMP C[NH+]1CCN(c2cc([C@@H]3c4ccccc4CCC[N@@H+]3C)ccn2)CC1 ZINC000096087167 473292531 /nfs/dbraw/zinc/29/25/31/473292531.db2.gz QHCAXUGFOAAYCE-OAQYLSRUSA-N 2 1 336.483 2.801 40 0 EFABMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[NH+](C)Cc2cccnc2)cn1 ZINC000096182895 473324341 /nfs/dbraw/zinc/32/43/41/473324341.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[NH+](C)Cc2cccnc2)cn1 ZINC000096182895 473324346 /nfs/dbraw/zinc/32/43/46/473324346.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@H+](C)Cc2cccnc2)cn1 ZINC000096182895 473324354 /nfs/dbraw/zinc/32/43/54/473324354.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@@H+](C)Cc2cccnc2)cn1 ZINC000096182895 473324361 /nfs/dbraw/zinc/32/43/61/473324361.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 2 1 339.487 2.548 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](CC1CC1)CC2 ZINC000096206931 473342942 /nfs/dbraw/zinc/34/29/42/473342942.db2.gz QRRHRKMUIMODCE-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP C[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096207052 473343543 /nfs/dbraw/zinc/34/35/43/473343543.db2.gz JVLICVLIXATXOP-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP C[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000096207789 473343662 /nfs/dbraw/zinc/34/36/62/473343662.db2.gz CBKPYFIZPWXHRB-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP CC[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O2 ZINC000096242700 473362833 /nfs/dbraw/zinc/36/28/33/473362833.db2.gz XOJHPVVWCYTYGR-GOSISDBHSA-N 2 1 340.471 2.888 40 0 EFABMP COCC[NH+]1CCC2(C[C@@H]([NH+]3CCOCC3)c3ccc(C)cc32)CC1 ZINC000096241754 473362475 /nfs/dbraw/zinc/36/24/75/473362475.db2.gz LTSPMIKKGKMSIY-HXUWFJFHSA-N 2 1 344.499 2.752 40 0 EFABMP COc1cc(C)ccc1C[N@@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019134107 471977513 /nfs/dbraw/zinc/97/75/13/471977513.db2.gz YSMYCFBFYMBYPU-SFHVURJKSA-N 2 1 338.455 2.776 40 0 EFABMP COc1cc(C)ccc1C[N@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019134107 471977514 /nfs/dbraw/zinc/97/75/14/471977514.db2.gz YSMYCFBFYMBYPU-SFHVURJKSA-N 2 1 338.455 2.776 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415938 472861300 /nfs/dbraw/zinc/86/13/00/472861300.db2.gz WTOFGSGJPOHSHG-QUCCMNQESA-N 2 1 343.515 2.873 40 0 EFABMP COc1ncccc1C[N@H+]1CCC[C@]2(C[C@@H](C[NH+](C)C3CC3)CO2)C1 ZINC000107790580 472982647 /nfs/dbraw/zinc/98/26/47/472982647.db2.gz IOMFUNZZLXZSCQ-JXFKEZNVSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000107790580 472982656 /nfs/dbraw/zinc/98/26/56/472982656.db2.gz IOMFUNZZLXZSCQ-JXFKEZNVSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000107790580 472982665 /nfs/dbraw/zinc/98/26/65/472982665.db2.gz IOMFUNZZLXZSCQ-JXFKEZNVSA-N 2 1 345.487 2.556 40 0 EFABMP C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000113972541 473430113 /nfs/dbraw/zinc/43/01/13/473430113.db2.gz PVAYKXBYFZJWEH-INIZCTEOSA-N 2 1 349.906 2.762 40 0 EFABMP COc1cccc([C@H]2[C@H](NC3CC[NH+](C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000195554148 474094710 /nfs/dbraw/zinc/09/47/10/474094710.db2.gz DILBIQPHBVSQLP-UXHICEINSA-N 2 1 329.488 2.657 40 0 EFABMP COc1cccc([C@H]2[C@H](NC3CC[NH+](C)CC3)CC[N@H+]2C2CC2)c1 ZINC000195554148 474094714 /nfs/dbraw/zinc/09/47/14/474094714.db2.gz DILBIQPHBVSQLP-UXHICEINSA-N 2 1 329.488 2.657 40 0 EFABMP CC(=O)NC1CCC([NH2+]C[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000195565171 474097572 /nfs/dbraw/zinc/09/75/72/474097572.db2.gz FFALTFDBBMBPCY-SMXDXGFJSA-N 2 1 343.515 2.934 40 0 EFABMP COC[C@H]1C[N@@H+](CC(C)C)CC12CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000248032238 474248070 /nfs/dbraw/zinc/24/80/70/474248070.db2.gz LNSFBUVWMYTKHY-GOSISDBHSA-N 2 1 348.535 2.545 40 0 EFABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000242538747 474559937 /nfs/dbraw/zinc/55/99/37/474559937.db2.gz JEBVIFPSNAJBGS-QRVBRYPASA-N 2 1 331.504 2.919 40 0 EFABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000585103930 479284306 /nfs/dbraw/zinc/28/43/06/479284306.db2.gz UCYHUELTSFPQQH-LJQANCHMSA-N 2 1 329.488 2.652 40 0 EFABMP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000078498589 217063390 /nfs/dbraw/zinc/06/33/90/217063390.db2.gz UZQHBTBGQCXYLF-IBGZPJMESA-N 2 1 340.471 2.730 40 0 EFABMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000078498589 217063392 /nfs/dbraw/zinc/06/33/92/217063392.db2.gz UZQHBTBGQCXYLF-IBGZPJMESA-N 2 1 340.471 2.730 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404791 217220752 /nfs/dbraw/zinc/22/07/52/217220752.db2.gz JBDPPEFWHWNSQE-QUCCMNQESA-N 2 1 343.515 2.873 40 0 EFABMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108900 /nfs/dbraw/zinc/10/89/00/218108900.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 2 1 349.563 2.685 40 0 EFABMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108901 /nfs/dbraw/zinc/10/89/01/218108901.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 2 1 349.563 2.685 40 0 EFABMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108903 /nfs/dbraw/zinc/10/89/03/218108903.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 2 1 349.563 2.685 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048018 473268623 /nfs/dbraw/zinc/26/86/23/473268623.db2.gz PAXWXNVFJQXJLX-GOSISDBHSA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048017 473268973 /nfs/dbraw/zinc/26/89/73/473268973.db2.gz VCKGMFOMRGUKBV-SFHVURJKSA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048073 473269276 /nfs/dbraw/zinc/26/92/76/473269276.db2.gz WKBBYZADYUYYTF-IBGZPJMESA-N 2 1 341.455 2.930 40 0 EFABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048016 473270126 /nfs/dbraw/zinc/27/01/26/473270126.db2.gz VCKGMFOMRGUKBV-GOSISDBHSA-N 2 1 341.455 2.930 40 0 EFABMP c1cncc(C[N@@H+]2CCCC23CC[NH+](CC2CCOCC2)CC3)c1 ZINC000096049322 473274021 /nfs/dbraw/zinc/27/40/21/473274021.db2.gz HRBIBIPCFHQRHU-UHFFFAOYSA-N 2 1 329.488 2.939 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3cccs3)C2)O1 ZINC000096052304 473275008 /nfs/dbraw/zinc/27/50/08/473275008.db2.gz QPYBOZQNUNPMEE-SJLPKXTDSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3cccs3)C2)O1 ZINC000096052304 473275015 /nfs/dbraw/zinc/27/50/15/473275015.db2.gz QPYBOZQNUNPMEE-SJLPKXTDSA-N 2 1 338.517 2.838 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccs3)C2)O1 ZINC000096052304 473275021 /nfs/dbraw/zinc/27/50/21/473275021.db2.gz QPYBOZQNUNPMEE-SJLPKXTDSA-N 2 1 338.517 2.838 40 0 EFABMP Fc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052022 473276122 /nfs/dbraw/zinc/27/61/22/473276122.db2.gz UBJDVHBBLSDMBF-UYAOXDASSA-N 2 1 348.462 2.529 40 0 EFABMP Fc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cc1 ZINC000096052022 473276135 /nfs/dbraw/zinc/27/61/35/473276135.db2.gz UBJDVHBBLSDMBF-UYAOXDASSA-N 2 1 348.462 2.529 40 0 EFABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096056300 473281017 /nfs/dbraw/zinc/28/10/17/473281017.db2.gz FPRGQANBWFLTRS-YSIASYRMSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096056300 473281027 /nfs/dbraw/zinc/28/10/27/473281027.db2.gz FPRGQANBWFLTRS-YSIASYRMSA-N 2 1 341.455 2.644 40 0 EFABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096056300 473281034 /nfs/dbraw/zinc/28/10/34/473281034.db2.gz FPRGQANBWFLTRS-YSIASYRMSA-N 2 1 341.455 2.644 40 0 EFABMP Cc1cccc(N2CC[C@@H]3[C@@H](C[N@@H+](C)Cc4ccco4)OC[C@@H]3C2)[nH+]1 ZINC000096185356 473327756 /nfs/dbraw/zinc/32/77/56/473327756.db2.gz YLFNJASNOBLICE-YTQUADARSA-N 2 1 341.455 2.956 40 0 EFABMP Cc1cccc(N2CC[C@@H]3[C@@H](C[N@H+](C)Cc4ccco4)OC[C@@H]3C2)[nH+]1 ZINC000096185356 473327761 /nfs/dbraw/zinc/32/77/61/473327761.db2.gz YLFNJASNOBLICE-YTQUADARSA-N 2 1 341.455 2.956 40 0 EFABMP COCC[N@H+]1CC2(C[C@H]1COC)CC[NH+](Cc1ccccc1)CC2 ZINC000096206165 473340216 /nfs/dbraw/zinc/34/02/16/473340216.db2.gz QMORYZOZXRHQJD-IBGZPJMESA-N 2 1 332.488 2.636 40 0 EFABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](CC1CC1)CC2 ZINC000096206057 473340359 /nfs/dbraw/zinc/34/03/59/473340359.db2.gz IIYHWPWVPXMUTI-IBGZPJMESA-N 2 1 329.488 2.795 40 0 EFABMP Cc1cc(OC[C@H]2CO[C@@H]3C[N@H+](C4CCSCC4)C[C@H]23)cc(C)[nH+]1 ZINC000096215895 473346374 /nfs/dbraw/zinc/34/63/74/473346374.db2.gz GKTSLBMOIMWULI-KFKAGJAMSA-N 2 1 348.512 2.920 40 0 EFABMP C[N@H+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096219880 473353142 /nfs/dbraw/zinc/35/31/42/473353142.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 2 1 327.428 2.540 40 0 EFABMP C[N@@H+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[NH+](Cc3ccco3)C2)C1 ZINC000096219880 473353146 /nfs/dbraw/zinc/35/31/46/473353146.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096219880 473353151 /nfs/dbraw/zinc/35/31/51/473353151.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 2 1 327.428 2.540 40 0 EFABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096219880 473353159 /nfs/dbraw/zinc/35/31/59/473353159.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 2 1 327.428 2.540 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)CO1 ZINC000096224940 473355691 /nfs/dbraw/zinc/35/56/91/473355691.db2.gz LTJKTOHEKOHIHM-SFHVURJKSA-N 2 1 334.508 2.522 40 0 EFABMP CNc1cc(C[N@H+](C)Cc2ccc(F)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759810 471984414 /nfs/dbraw/zinc/98/44/14/471984414.db2.gz DHYOPPITHNRYFZ-MRXNPFEDSA-N 2 1 329.423 2.714 40 0 EFABMP CNc1cc(C[N@@H+](C)Cc2ccc(F)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759810 471984419 /nfs/dbraw/zinc/98/44/19/471984419.db2.gz DHYOPPITHNRYFZ-MRXNPFEDSA-N 2 1 329.423 2.714 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391089 472856847 /nfs/dbraw/zinc/85/68/47/472856847.db2.gz XUFXQIWHPUPJLV-OALUTQOASA-N 2 1 329.488 2.625 40 0 EFABMP Cc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000049169934 472934158 /nfs/dbraw/zinc/93/41/58/472934158.db2.gz FSIMBEFXAUQITP-INIZCTEOSA-N 2 1 326.444 2.929 40 0 biogenic,in-vitro EFABMP Cc1ccc(-c2nnc([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000049169934 472934163 /nfs/dbraw/zinc/93/41/63/472934163.db2.gz FSIMBEFXAUQITP-INIZCTEOSA-N 2 1 326.444 2.929 40 0 biogenic,in-vitro EFABMP Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000107739556 472979752 /nfs/dbraw/zinc/97/97/52/472979752.db2.gz QTWXDAAEOHVMCC-OALUTQOASA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000107739556 472979758 /nfs/dbraw/zinc/97/97/58/472979758.db2.gz QTWXDAAEOHVMCC-OALUTQOASA-N 2 1 336.476 2.678 40 0 EFABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000107739556 472979763 /nfs/dbraw/zinc/97/97/63/472979763.db2.gz QTWXDAAEOHVMCC-OALUTQOASA-N 2 1 336.476 2.678 40 0 EFABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccsc1)C2 ZINC000107738645 472979873 /nfs/dbraw/zinc/97/98/73/472979873.db2.gz JIPAKPKOORNZOM-ZWKOTPCHSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccsc1)C2 ZINC000107738645 472979878 /nfs/dbraw/zinc/97/98/78/472979878.db2.gz JIPAKPKOORNZOM-ZWKOTPCHSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000107738645 472979884 /nfs/dbraw/zinc/97/98/84/472979884.db2.gz JIPAKPKOORNZOM-ZWKOTPCHSA-N 2 1 338.517 2.696 40 0 EFABMP Cc1cc(N2CCC([NH2+]CCOc3ccccc3)CC2)nc(C)[nH+]1 ZINC000096456227 473432860 /nfs/dbraw/zinc/43/28/60/473432860.db2.gz KROXNUQNIDJUCP-UHFFFAOYSA-N 2 1 326.444 2.731 40 0 EFABMP CCOc1ncccc1CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246847675 473982211 /nfs/dbraw/zinc/98/22/11/473982211.db2.gz CLFIDMRHBRIWGB-VQIMIIECSA-N 2 1 340.471 2.876 40 0 EFABMP Cc1noc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000195557229 474093956 /nfs/dbraw/zinc/09/39/56/474093956.db2.gz WYZVLHWUROFKSS-FGTMMUONSA-N 2 1 326.444 2.768 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115845 474260557 /nfs/dbraw/zinc/26/05/57/474260557.db2.gz SGCDWWBDNBSCNK-QUCCMNQESA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115845 474260563 /nfs/dbraw/zinc/26/05/63/474260563.db2.gz SGCDWWBDNBSCNK-QUCCMNQESA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115845 474260572 /nfs/dbraw/zinc/26/05/72/474260572.db2.gz SGCDWWBDNBSCNK-QUCCMNQESA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115843 474260655 /nfs/dbraw/zinc/26/06/55/474260655.db2.gz SGCDWWBDNBSCNK-ICSRJNTNSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115843 474260663 /nfs/dbraw/zinc/26/06/63/474260663.db2.gz SGCDWWBDNBSCNK-ICSRJNTNSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115843 474260671 /nfs/dbraw/zinc/26/06/71/474260671.db2.gz SGCDWWBDNBSCNK-ICSRJNTNSA-N 2 1 341.455 2.706 40 0 EFABMP Cc1cc(-n2ccnc2)ccc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248916722 474484244 /nfs/dbraw/zinc/48/42/44/474484244.db2.gz ZZLFYXWBAQBSSA-MOPGFXCFSA-N 2 1 327.428 2.561 40 0 EFABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000100177579 219093649 /nfs/dbraw/zinc/09/36/49/219093649.db2.gz GAHXESDVRZYYBY-OTWHNJEPSA-N 2 1 331.504 2.919 40 0 EFABMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(O)cc2)c2cccs2)CC1 ZINC000023248974 212363707 /nfs/dbraw/zinc/36/37/07/212363707.db2.gz JNDVVBAJWWJHPX-QGZVFWFLSA-N 2 1 331.485 2.532 40 0 EFABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1O2 ZINC000019592021 212048229 /nfs/dbraw/zinc/04/82/29/212048229.db2.gz OGKGKHXOUZGMIZ-UHFFFAOYSA-N 2 1 340.471 2.716 40 0 EFABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415934 217223021 /nfs/dbraw/zinc/22/30/21/217223021.db2.gz WTOFGSGJPOHSHG-ICSRJNTNSA-N 2 1 343.515 2.873 40 0 EFABMP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192007047 274896973 /nfs/dbraw/zinc/89/69/73/274896973.db2.gz GOQWGOBXIURQQO-SFHVURJKSA-N 2 1 338.455 2.628 40 0 EFABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1cccs1)C2 ZINC000096051978 473275438 /nfs/dbraw/zinc/27/54/38/473275438.db2.gz WQGHIKMQBOWTSA-AEFFLSMTSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051978 473275442 /nfs/dbraw/zinc/27/54/42/473275442.db2.gz WQGHIKMQBOWTSA-AEFFLSMTSA-N 2 1 338.517 2.696 40 0 EFABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051978 473275446 /nfs/dbraw/zinc/27/54/46/473275446.db2.gz WQGHIKMQBOWTSA-AEFFLSMTSA-N 2 1 338.517 2.696 40 0 EFABMP COc1ncccc1C[N@H+]1CCC[C@@]2(C[C@@H](C[NH+](C)C3CC3)CO2)C1 ZINC000096075657 473290843 /nfs/dbraw/zinc/29/08/43/473290843.db2.gz IOMFUNZZLXZSCQ-OXJNMPFZSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000096075657 473290850 /nfs/dbraw/zinc/29/08/50/473290850.db2.gz IOMFUNZZLXZSCQ-OXJNMPFZSA-N 2 1 345.487 2.556 40 0 EFABMP COc1ncccc1C[NH+]1CCC[C@@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000096075657 473290855 /nfs/dbraw/zinc/29/08/55/473290855.db2.gz IOMFUNZZLXZSCQ-OXJNMPFZSA-N 2 1 345.487 2.556 40 0 EFABMP c1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cs1 ZINC000096196880 473332686 /nfs/dbraw/zinc/33/26/86/473332686.db2.gz LXTYZQNTXMTHNB-UHFFFAOYSA-N 2 1 330.501 2.989 40 0 EFABMP C[N@@H+]1[C@H](COCC2CC2)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096206777 473340456 /nfs/dbraw/zinc/34/04/56/473340456.db2.gz CDTOBHZCEGTWOH-IBGZPJMESA-N 2 1 329.488 2.937 40 0 EFABMP C[N@H+]1[C@H](COCC2CC2)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096206777 473340462 /nfs/dbraw/zinc/34/04/62/473340462.db2.gz CDTOBHZCEGTWOH-IBGZPJMESA-N 2 1 329.488 2.937 40 0 EFABMP COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](CC1CC1)CC2 ZINC000096206058 473340706 /nfs/dbraw/zinc/34/07/06/473340706.db2.gz IIYHWPWVPXMUTI-LJQANCHMSA-N 2 1 329.488 2.795 40 0 EFABMP COCC[N@H+]1CC2(C[C@@H]1COC)CC[NH+](Cc1ccsc1)CC2 ZINC000096207477 473342682 /nfs/dbraw/zinc/34/26/82/473342682.db2.gz LPCLIWNUXNLAPW-QGZVFWFLSA-N 2 1 338.517 2.697 40 0 EFABMP COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC000096215802 473346756 /nfs/dbraw/zinc/34/67/56/473346756.db2.gz VANLJYILYVNTSA-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC000096215802 473346762 /nfs/dbraw/zinc/34/67/62/473346762.db2.gz VANLJYILYVNTSA-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC000096215802 473346771 /nfs/dbraw/zinc/34/67/71/473346771.db2.gz VANLJYILYVNTSA-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC000096215802 473346778 /nfs/dbraw/zinc/34/67/78/473346778.db2.gz VANLJYILYVNTSA-TZIWHRDSSA-N 2 1 344.499 2.876 40 0 EFABMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC[NH+](C)C)CC2)s1 ZINC000096217722 473348839 /nfs/dbraw/zinc/34/88/39/473348839.db2.gz LOZJFBJOQQOODY-IBGZPJMESA-N 2 1 349.544 2.965 40 0 EFABMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OC ZINC000008253589 471675112 /nfs/dbraw/zinc/67/51/12/471675112.db2.gz NIGVRCRBZNLRCH-UHFFFAOYSA-N 2 1 345.281 2.898 40 0 EFABMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000090882484 472662868 /nfs/dbraw/zinc/66/28/68/472662868.db2.gz VJVYQEXGFZBXNZ-AWEZNQCLSA-N 2 1 347.484 2.656 40 0 EFABMP C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000072394708 472663269 /nfs/dbraw/zinc/66/32/69/472663269.db2.gz RLUNQUGUQYERAZ-QLFBSQMISA-N 2 1 328.460 2.639 40 0 EFABMP Cc1cccc(N2CC[C@H]3CO[C@H](C[N@@H+](C)Cc4ccco4)[C@H]3C2)[nH+]1 ZINC000107202747 472932410 /nfs/dbraw/zinc/93/24/10/472932410.db2.gz GPDUZBQUWIQLEX-YTQUADARSA-N 2 1 341.455 2.956 40 0 EFABMP Cc1cccc(N2CC[C@H]3CO[C@H](C[N@H+](C)Cc4ccco4)[C@H]3C2)[nH+]1 ZINC000107202747 472932417 /nfs/dbraw/zinc/93/24/17/472932417.db2.gz GPDUZBQUWIQLEX-YTQUADARSA-N 2 1 341.455 2.956 40 0 EFABMP CCOC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000096415088 473394568 /nfs/dbraw/zinc/39/45/68/473394568.db2.gz DMXSSDOEXPGJKR-HNNXBMFYSA-N 2 1 333.476 2.828 40 0 EFABMP Cc1ccc([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1F ZINC000096474700 473438703 /nfs/dbraw/zinc/43/87/03/473438703.db2.gz UJPUTRQXDLNFAW-HNNXBMFYSA-N 2 1 343.450 2.527 40 0 EFABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000242538748 474559352 /nfs/dbraw/zinc/55/93/52/474559352.db2.gz JEBVIFPSNAJBGS-QYZOEREBSA-N 2 1 331.504 2.919 40 0 EFABMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000252539128 474695714 /nfs/dbraw/zinc/69/57/14/474695714.db2.gz NSYMQKMCAVPJLY-NNIGNNQHSA-N 2 1 338.536 2.917 40 0 EFABMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(C)n23)cc1 ZINC000306125417 474807023 /nfs/dbraw/zinc/80/70/23/474807023.db2.gz CPVPAPHOSALYEN-UHFFFAOYSA-N 2 1 339.487 2.586 40 0 EFABMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(C)n23)cc1 ZINC000306125417 474807032 /nfs/dbraw/zinc/80/70/32/474807032.db2.gz CPVPAPHOSALYEN-UHFFFAOYSA-N 2 1 339.487 2.586 40 0 EFABMP Cc1ncsc1CN1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257319990 474950921 /nfs/dbraw/zinc/95/09/21/474950921.db2.gz VUWXRSAUDWSJMU-INIZCTEOSA-N 2 1 332.473 2.794 40 0 EFABMP CC[NH+]1CCC([NH+]2CCC(c3ccnc4cc(C)nn43)CC2)CC1 ZINC000257331930 474958648 /nfs/dbraw/zinc/95/86/48/474958648.db2.gz XUYGESWQKWIMNE-UHFFFAOYSA-N 2 1 327.476 2.701 40 0 EFABMP CN(c1[nH+]cnc2[nH]ccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450948153 477771183 /nfs/dbraw/zinc/77/11/83/477771183.db2.gz DSDUEHJIBCCGAA-UHFFFAOYSA-N 2 1 327.354 2.811 40 0 EFABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000585102905 479284551 /nfs/dbraw/zinc/28/45/51/479284551.db2.gz HPYKEXCQSFWQTO-INIZCTEOSA-N 2 1 338.517 2.555 40 0 EFABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000585102906 479285201 /nfs/dbraw/zinc/28/52/01/479285201.db2.gz HPYKEXCQSFWQTO-MRXNPFEDSA-N 2 1 338.517 2.555 40 0 EFABMP Cc1cccc(O[C@@H]2CCC[C@H](C[NH2+]C3CC[NH+](C)CC3)[C@H]2O)c1 ZINC000585286590 479309655 /nfs/dbraw/zinc/30/96/55/479309655.db2.gz MJTJRQKVELFQKE-NSISKUIASA-N 2 1 332.488 2.587 40 0 EFABMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290000 479311033 /nfs/dbraw/zinc/31/10/33/479311033.db2.gz YWNDJVOKIKDFSY-XUVXKRRUSA-N 2 1 332.488 2.621 40 0 EFABMP Cc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4ncccc34)C2)c1 ZINC000019234940 524407842 /nfs/dbraw/zinc/40/78/42/524407842.db2.gz XOQGMTJPZQUJCD-KRWDZBQOSA-N 2 1 335.455 2.688 40 0 EFABMP