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)cc1CN1CCCC1 ZINC000019575084 202012615 /nfs/dbraw/zinc/01/26/15/202012615.db2.gz WGLHMORYDHPQNY-XLIONFOSSA-N 1 3 343.515 2.960 40 0 EFABHO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1CN1CCCC1 ZINC000019575084 202012619 /nfs/dbraw/zinc/01/26/19/202012619.db2.gz WGLHMORYDHPQNY-XLIONFOSSA-N 1 3 343.515 2.960 40 0 EFABHO CN(C)CCn1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc21 ZINC000019583289 202013121 /nfs/dbraw/zinc/01/31/21/202013121.db2.gz QUCYDMVADICKGL-SFHVURJKSA-N 1 3 349.482 2.982 40 0 EFABHO CN(C)CCn1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc21 ZINC000019583289 202013123 /nfs/dbraw/zinc/01/31/23/202013123.db2.gz QUCYDMVADICKGL-SFHVURJKSA-N 1 3 349.482 2.982 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1)C(C)C ZINC000079415891 280272713 /nfs/dbraw/zinc/27/27/13/280272713.db2.gz YDKIQWRKZAIAAZ-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415891 280272718 /nfs/dbraw/zinc/27/27/18/280272718.db2.gz YDKIQWRKZAIAAZ-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO COc1ccc(CN2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1 ZINC000096047950 473268701 /nfs/dbraw/zinc/26/87/01/473268701.db2.gz VVKWLHRIUFAJLA-SFHVURJKSA-N 1 3 330.472 2.915 40 0 EFABHO CC(=O)N1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 ZINC000096064380 473286629 /nfs/dbraw/zinc/28/66/29/473286629.db2.gz WFGGOUAJDCEZMY-AOIWGVFYSA-N 1 3 347.528 2.655 40 0 EFABHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000112680567 473293925 /nfs/dbraw/zinc/29/39/25/473293925.db2.gz VFXVCSHMSDAPAS-UHFFFAOYSA-N 1 3 345.531 2.911 40 0 EFABHO Cc1ccc(CN2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)o1 ZINC000096106677 473298894 /nfs/dbraw/zinc/29/88/94/473298894.db2.gz DNTKNDFIWXYIPB-LJQANCHMSA-N 1 3 348.487 2.824 40 0 EFABHO Cn1cc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC000096159271 473319558 /nfs/dbraw/zinc/31/95/58/473319558.db2.gz NQDYLNHRMKMGJC-UHFFFAOYSA-N 1 3 339.487 2.692 40 0 EFABHO Cn1cc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC000096159271 473319566 /nfs/dbraw/zinc/31/95/66/473319566.db2.gz NQDYLNHRMKMGJC-UHFFFAOYSA-N 1 3 339.487 2.692 40 0 EFABHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccsc2)CC1 ZINC000096186310 473327278 /nfs/dbraw/zinc/32/72/78/473327278.db2.gz XTWHFYKAZMLESJ-QZTJIDSGSA-N 1 3 347.528 2.655 40 0 EFABHO COCC[N@@H+]1CC2(C[C@H]1COC)CCN(Cc1cccs1)CC2 ZINC000096208111 473342173 /nfs/dbraw/zinc/34/21/73/473342173.db2.gz JUWUGLDCKSNFEM-INIZCTEOSA-N 1 3 338.517 2.697 40 0 EFABHO COCC[N@H+]1CC2(C[C@H]1COC)CCN(Cc1cccs1)CC2 ZINC000096208111 473342180 /nfs/dbraw/zinc/34/21/80/473342180.db2.gz JUWUGLDCKSNFEM-INIZCTEOSA-N 1 3 338.517 2.697 40 0 EFABHO COC[C@H]1CC2(C[N@@H+]1C)CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000096207550 473342220 /nfs/dbraw/zinc/34/22/20/473342220.db2.gz UWXJRVBHBIUJCM-QGZVFWFLSA-N 1 3 348.487 2.637 40 0 EFABHO COC[C@H]1CC2(C[N@H+]1C)CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000096207550 473342228 /nfs/dbraw/zinc/34/22/28/473342228.db2.gz UWXJRVBHBIUJCM-QGZVFWFLSA-N 1 3 348.487 2.637 40 0 EFABHO Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CCN(C)C)CC2)s1 ZINC000096217719 473350659 /nfs/dbraw/zinc/35/06/59/473350659.db2.gz LOZJFBJOQQOODY-LJQANCHMSA-N 1 3 349.544 2.965 40 0 EFABHO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CCN(C)C)CC2)s1 ZINC000096217719 473350660 /nfs/dbraw/zinc/35/06/60/473350660.db2.gz LOZJFBJOQQOODY-LJQANCHMSA-N 1 3 349.544 2.965 40 0 EFABHO Cc1cc(OC[C@H]2CO[C@@H]3CN(Cc4ccc[nH]4)C[C@H]23)cc(C)[nH+]1 ZINC000096219329 473351111 /nfs/dbraw/zinc/35/11/11/473351111.db2.gz ZWLXKGHFQKNBOQ-KFKAGJAMSA-N 1 3 327.428 2.552 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC([N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079415906 472861217 /nfs/dbraw/zinc/86/12/17/472861217.db2.gz PGZTWVKPUCIVAU-IBGZPJMESA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079415906 472861222 /nfs/dbraw/zinc/86/12/22/472861222.db2.gz PGZTWVKPUCIVAU-IBGZPJMESA-N 1 3 331.504 2.871 40 0 EFABHO CC[NH+]1CCC(N2CCC[C@@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246633 244257200 /nfs/dbraw/zinc/25/72/00/244257200.db2.gz IVALTTRWCDBQDZ-MRXNPFEDSA-N 1 3 327.476 2.632 40 0 EFABHO CC(C)[C@H](N)C(=O)N(CC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000079404799 217219842 /nfs/dbraw/zinc/21/98/42/217219842.db2.gz RUDMWZDUFOFUPG-FQEVSTJZSA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000079404703 217220570 /nfs/dbraw/zinc/22/05/70/217220570.db2.gz PUAWULFUHJTPSI-MOPGFXCFSA-N 1 3 331.504 2.729 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404703 217220574 /nfs/dbraw/zinc/22/05/74/217220574.db2.gz PUAWULFUHJTPSI-MOPGFXCFSA-N 1 3 331.504 2.729 40 0 EFABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000079415839 217223846 /nfs/dbraw/zinc/22/38/46/217223846.db2.gz PCRUDJRGQDKPHN-OALUTQOASA-N 1 3 331.504 2.873 40 0 EFABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000079415839 217223848 /nfs/dbraw/zinc/22/38/48/217223848.db2.gz PCRUDJRGQDKPHN-OALUTQOASA-N 1 3 331.504 2.873 40 0 EFABHO Cn1cc(CN2CCC3(CCC[N@H+](Cc4ccccn4)C3)CC2)cn1 ZINC000096158494 473318889 /nfs/dbraw/zinc/31/88/89/473318889.db2.gz KLEUFWFOQDXKPM-UHFFFAOYSA-N 1 3 339.487 2.693 40 0 EFABHO Cn1cc(CN2CCC3(CCC[N@@H+](Cc4ccccn4)C3)CC2)cn1 ZINC000096158494 473318894 /nfs/dbraw/zinc/31/88/94/473318894.db2.gz KLEUFWFOQDXKPM-UHFFFAOYSA-N 1 3 339.487 2.693 40 0 EFABHO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096208162 473343402 /nfs/dbraw/zinc/34/34/02/473343402.db2.gz MRVARIQBDDCYCG-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO C[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096208162 473343408 /nfs/dbraw/zinc/34/34/08/473343408.db2.gz MRVARIQBDDCYCG-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO COc1cccc([C@@H]2[C@@H](NC3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000157041273 472778538 /nfs/dbraw/zinc/77/85/38/472778538.db2.gz DILBIQPHBVSQLP-VQTJNVASSA-N 1 3 329.488 2.657 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000079404696 472860317 /nfs/dbraw/zinc/86/03/17/472860317.db2.gz DVJZTSQKUMMMOB-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000079404696 472860324 /nfs/dbraw/zinc/86/03/24/472860324.db2.gz DVJZTSQKUMMMOB-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000113947161 473427532 /nfs/dbraw/zinc/42/75/32/473427532.db2.gz URRSPSUWLKRYOF-MRXNPFEDSA-N 1 3 329.488 2.743 40 0 EFABHO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000113947161 473427540 /nfs/dbraw/zinc/42/75/40/473427540.db2.gz URRSPSUWLKRYOF-MRXNPFEDSA-N 1 3 329.488 2.743 40 0 EFABHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000225447043 474213738 /nfs/dbraw/zinc/21/37/38/474213738.db2.gz HFHWWCRPJVPLCB-FQEVSTJZSA-N 1 3 337.467 2.783 40 0 EFABHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)C(F)(F)F ZINC000230471800 474260940 /nfs/dbraw/zinc/26/09/40/474260940.db2.gz FXWDRVDOODGFDE-NFAWXSAZSA-N 1 3 330.394 2.656 40 0 EFABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000257319082 474951539 /nfs/dbraw/zinc/95/15/39/474951539.db2.gz VQPTXBUFOPJWRI-MISYRCLQSA-N 1 3 343.515 2.780 40 0 EFABHO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000261602962 474989894 /nfs/dbraw/zinc/98/98/94/474989894.db2.gz ASMUWQXYQRCAKR-GEALJGNFSA-N 1 3 337.467 2.523 40 0 EFABHO C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cccnc1)CC2 ZINC000585103927 479285167 /nfs/dbraw/zinc/28/51/67/479285167.db2.gz UCYHUELTSFPQQH-IBGZPJMESA-N 1 3 329.488 2.652 40 0 EFABHO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cccnc1)CC2 ZINC000585103927 479285175 /nfs/dbraw/zinc/28/51/75/479285175.db2.gz UCYHUELTSFPQQH-IBGZPJMESA-N 1 3 329.488 2.652 40 0 EFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104124 479286563 /nfs/dbraw/zinc/28/65/63/479286563.db2.gz WRQCPHDNKOVNAT-KRWDZBQOSA-N 1 3 338.517 2.555 40 0 EFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104124 479286568 /nfs/dbraw/zinc/28/65/68/479286568.db2.gz WRQCPHDNKOVNAT-KRWDZBQOSA-N 1 3 338.517 2.555 40 0 EFABHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288844 479309796 /nfs/dbraw/zinc/30/97/96/479309796.db2.gz KFAZYHXTGAGERC-DFQSSKMNSA-N 1 3 334.504 2.977 40 0 EFABHO CN1CC2(C[C@@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccsc1)CC2 ZINC000675009195 1099619653 /nfs/dbraw/zinc/61/96/53/1099619653.db2.gz AXHMYDSWEGVZHG-QGZVFWFLSA-N 1 3 347.528 2.657 40 0 EFABHO CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079404677 217219927 /nfs/dbraw/zinc/21/99/27/217219927.db2.gz MNCLUTOJRFGRIY-OALUTQOASA-N 1 3 331.504 2.730 40 0 EFABHO CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079404677 217219928 /nfs/dbraw/zinc/21/99/28/217219928.db2.gz MNCLUTOJRFGRIY-OALUTQOASA-N 1 3 331.504 2.730 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415902 217222828 /nfs/dbraw/zinc/22/28/28/217222828.db2.gz RPBSGBNOOGDURV-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415902 217222831 /nfs/dbraw/zinc/22/28/31/217222831.db2.gz RPBSGBNOOGDURV-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO COC[C@H]1CC2(CN1Cc1ccncc1)CC[NH+](C1CCC1)CC2 ZINC000096208487 473345441 /nfs/dbraw/zinc/34/54/41/473345441.db2.gz HVPBOBLZTZFGDF-LJQANCHMSA-N 1 3 329.488 2.937 40 0 EFABHO CN(C)CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccsc1)CC2 ZINC000096217708 473350353 /nfs/dbraw/zinc/35/03/53/473350353.db2.gz KWPAQPXNCUCIIY-SFHVURJKSA-N 1 3 335.517 2.657 40 0 EFABHO CN(C)CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccsc1)CC2 ZINC000096217708 473350360 /nfs/dbraw/zinc/35/03/60/473350360.db2.gz KWPAQPXNCUCIIY-SFHVURJKSA-N 1 3 335.517 2.657 40 0 EFABHO CC1CC[NH+](Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)CC1 ZINC000113947634 473427648 /nfs/dbraw/zinc/42/76/48/473427648.db2.gz JAWURTLCAMWWLE-UHFFFAOYSA-N 1 3 329.488 2.743 40 0 EFABHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000252585081 474699747 /nfs/dbraw/zinc/69/97/47/474699747.db2.gz FXWDRVDOODGFDE-CLWVCHIJSA-N 1 3 330.394 2.656 40 0 EFABHO CNCc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCOCC3)CC2)nn1C ZINC000257343253 474965589 /nfs/dbraw/zinc/96/55/89/474965589.db2.gz ZSDOIEQHUBYTOL-WKILWMFISA-N 1 3 334.508 2.524 40 0 EFABHO CNCc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCOCC3)CC2)nn1C ZINC000257343253 474965596 /nfs/dbraw/zinc/96/55/96/474965596.db2.gz ZSDOIEQHUBYTOL-WKILWMFISA-N 1 3 334.508 2.524 40 0 EFABHO C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000261602965 474990835 /nfs/dbraw/zinc/99/08/35/474990835.db2.gz ASMUWQXYQRCAKR-XCLNPWKQSA-N 1 3 337.467 2.523 40 0 EFABHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585289556 479309536 /nfs/dbraw/zinc/30/95/36/479309536.db2.gz ROXRPDAJLKDSKW-XUVXKRRUSA-N 1 3 332.488 2.810 40 0 EFABHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288616 479309960 /nfs/dbraw/zinc/30/99/60/479309960.db2.gz FQXOIDSGYAOMJE-IPMKNSEASA-N 1 3 338.467 2.808 40 0 EFABHO CN(C)CCn1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc21 ZINC000019583286 212047199 /nfs/dbraw/zinc/04/71/99/212047199.db2.gz QUCYDMVADICKGL-GOSISDBHSA-N 1 3 349.482 2.982 40 0 EFABHO CN(C)CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc21 ZINC000019583286 212047202 /nfs/dbraw/zinc/04/72/02/212047202.db2.gz QUCYDMVADICKGL-GOSISDBHSA-N 1 3 349.482 2.982 40 0 EFABHO [NH3+]CCn1nc([C@H]2CCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000019348812 212019785 /nfs/dbraw/zinc/01/97/85/212019785.db2.gz BDVCVMNQANAKFH-HNNXBMFYSA-N 1 3 339.418 2.519 40 0 EFABHO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404711 217219977 /nfs/dbraw/zinc/21/99/77/217219977.db2.gz OJCKWVXKICVMSX-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079415865 217223836 /nfs/dbraw/zinc/22/38/36/217223836.db2.gz JEBVIFPSNAJBGS-OTWHNJEPSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079415865 217223838 /nfs/dbraw/zinc/22/38/38/217223838.db2.gz JEBVIFPSNAJBGS-OTWHNJEPSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079415871 217223326 /nfs/dbraw/zinc/22/33/26/217223326.db2.gz JEBVIFPSNAJBGS-FHWLQOOXSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079415871 217223328 /nfs/dbraw/zinc/22/33/28/217223328.db2.gz JEBVIFPSNAJBGS-FHWLQOOXSA-N 1 3 331.504 2.919 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[N@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415895 217223465 /nfs/dbraw/zinc/22/34/65/217223465.db2.gz JTIAEFDCMSYPFH-OALUTQOASA-N 1 3 331.504 2.729 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415895 217223467 /nfs/dbraw/zinc/22/34/67/217223467.db2.gz JTIAEFDCMSYPFH-OALUTQOASA-N 1 3 331.504 2.729 40 0 EFABHO CN1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)O2)CC1 ZINC000096207510 473343147 /nfs/dbraw/zinc/34/31/47/473343147.db2.gz MJOOPPGFJDCGGB-RTBURBONSA-N 1 3 349.544 2.509 40 0 EFABHO CN1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)O2)CC1 ZINC000096207510 473343153 /nfs/dbraw/zinc/34/31/53/473343153.db2.gz MJOOPPGFJDCGGB-RTBURBONSA-N 1 3 349.544 2.509 40 0 EFABHO COCC[N@@H+]1CC2(C[C@@H]1COC)CCN(Cc1cccs1)CC2 ZINC000096208110 473343199 /nfs/dbraw/zinc/34/31/99/473343199.db2.gz JUWUGLDCKSNFEM-MRXNPFEDSA-N 1 3 338.517 2.697 40 0 EFABHO COCC[N@H+]1CC2(C[C@@H]1COC)CCN(Cc1cccs1)CC2 ZINC000096208110 473343209 /nfs/dbraw/zinc/34/32/09/473343209.db2.gz JUWUGLDCKSNFEM-MRXNPFEDSA-N 1 3 338.517 2.697 40 0 EFABHO c1cc(CN2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)co1 ZINC000096206944 473343489 /nfs/dbraw/zinc/34/34/89/473343489.db2.gz XNVIEUVXAOMBNV-GOSISDBHSA-N 1 3 334.460 2.516 40 0 EFABHO O=C1CCC2(CCN(Cc3cccs3)CC2)N1CC[NH+]1CCCC1 ZINC000096228136 473359104 /nfs/dbraw/zinc/35/91/04/473359104.db2.gz OEPHKJBIYZGJSY-UHFFFAOYSA-N 1 3 347.528 2.801 40 0 EFABHO CN(C(=O)OCc1ccccc1)C1(C[NH+]2CCCC2)CCN(C)CC1 ZINC000002580985 471411174 /nfs/dbraw/zinc/41/11/74/471411174.db2.gz OCRVFCRUVANALS-UHFFFAOYSA-N 1 3 345.487 2.815 40 0 EFABHO Cc1nc(CCN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120476863 472695706 /nfs/dbraw/zinc/69/57/06/472695706.db2.gz XNYDSMYMPFUSHB-GJZGRUSLSA-N 1 3 337.533 2.815 40 0 EFABHO Cc1nc(CCN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120476562 472695967 /nfs/dbraw/zinc/69/59/67/472695967.db2.gz XNYDSMYMPFUSHB-GASCZTMLSA-N 1 3 337.533 2.815 40 0 EFABHO Cc1nc(CCN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120476562 472695971 /nfs/dbraw/zinc/69/59/71/472695971.db2.gz XNYDSMYMPFUSHB-GASCZTMLSA-N 1 3 337.533 2.815 40 0 EFABHO Cc1nc(CCN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000120476724 472696289 /nfs/dbraw/zinc/69/62/89/472696289.db2.gz XNYDSMYMPFUSHB-HUUCEWRRSA-N 1 3 337.533 2.815 40 0 EFABHO C[NH+](C)[C@H]1CCOC2(CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000108528225 473036342 /nfs/dbraw/zinc/03/63/42/473036342.db2.gz IWZMNDQMPKINCF-SFHVURJKSA-N 1 3 330.472 2.697 40 0 EFABHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000195560495 474095629 /nfs/dbraw/zinc/09/56/29/474095629.db2.gz FCMVQVZPQRVGQH-VQTJNVASSA-N 1 3 343.515 2.671 40 0 EFABHO CN1CCC[C@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260208 /nfs/dbraw/zinc/26/02/08/474260208.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 1 3 349.563 2.685 40 0 EFABHO CN1CCC[C@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260216 /nfs/dbraw/zinc/26/02/16/474260216.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 1 3 349.563 2.685 40 0 EFABHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000585272914 479305019 /nfs/dbraw/zinc/30/50/19/479305019.db2.gz NITZVHDXTYDNGZ-HXUWFJFHSA-N 1 3 328.456 2.792 40 0 EFABHO [NH3+]CCn1nc([C@@H]2CCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000019348810 202006334 /nfs/dbraw/zinc/00/63/34/202006334.db2.gz BDVCVMNQANAKFH-OAHLLOKOSA-N 1 3 339.418 2.519 40 0 EFABHO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1CN1CCCC1 ZINC000019575086 202014201 /nfs/dbraw/zinc/01/42/01/202014201.db2.gz WGLHMORYDHPQNY-YLJYHZDGSA-N 1 3 343.515 2.960 40 0 EFABHO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1CN1CCCC1 ZINC000019575086 202014205 /nfs/dbraw/zinc/01/42/05/202014205.db2.gz WGLHMORYDHPQNY-YLJYHZDGSA-N 1 3 343.515 2.960 40 0 EFABHO COc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1CN1CCCC1 ZINC000072324491 203201576 /nfs/dbraw/zinc/20/15/76/203201576.db2.gz WGLHMORYDHPQNY-FXAWDEMLSA-N 1 3 343.515 2.960 40 0 EFABHO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1CN1CCCC1 ZINC000072324491 203201581 /nfs/dbraw/zinc/20/15/81/203201581.db2.gz WGLHMORYDHPQNY-FXAWDEMLSA-N 1 3 343.515 2.960 40 0 EFABHO Cn1cc(CN2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC000096051553 473276352 /nfs/dbraw/zinc/27/63/52/473276352.db2.gz BTLACERURYMNAX-GOSISDBHSA-N 1 3 328.460 2.890 40 0 EFABHO Cn1cc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC000096051553 473276361 /nfs/dbraw/zinc/27/63/61/473276361.db2.gz BTLACERURYMNAX-GOSISDBHSA-N 1 3 328.460 2.890 40 0 EFABHO c1ccc(CN2CCC3(CC2)CC[NH+](C[C@H]2CCOC2)CC3)nc1 ZINC000096158383 473317446 /nfs/dbraw/zinc/31/74/46/473317446.db2.gz WGCVGIOUXHNWKN-GOSISDBHSA-N 1 3 329.488 2.796 40 0 EFABHO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096207051 473343824 /nfs/dbraw/zinc/34/38/24/473343824.db2.gz JVLICVLIXATXOP-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO C[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096207051 473343826 /nfs/dbraw/zinc/34/38/26/473343826.db2.gz JVLICVLIXATXOP-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO c1coc(CN2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)c1 ZINC000096206009 473341206 /nfs/dbraw/zinc/34/12/06/473341206.db2.gz BNNLAUCYKAKEGI-GOSISDBHSA-N 1 3 334.460 2.516 40 0 EFABHO COC[C@H]1CC2(CN1Cc1cccnc1)CC[NH+](CC1CC1)CC2 ZINC000096206932 473342253 /nfs/dbraw/zinc/34/22/53/473342253.db2.gz QRRHRKMUIMODCE-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO COC[C@@H]1CN(C)C[C@@]12CC[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350556 /nfs/dbraw/zinc/35/05/56/473350556.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 1 3 338.879 2.619 40 0 EFABHO COC[C@@H]1CN(C)C[C@@]12CC[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350561 /nfs/dbraw/zinc/35/05/61/473350561.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 1 3 338.879 2.619 40 0 EFABHO CC[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(CC3CC3)C2)C1 ZINC000096219099 473351916 /nfs/dbraw/zinc/35/19/16/473351916.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 1 3 329.488 2.652 40 0 EFABHO CC[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(CC3CC3)C2)C1 ZINC000096219099 473351926 /nfs/dbraw/zinc/35/19/26/473351926.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 1 3 329.488 2.652 40 0 EFABHO CNCc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCOCC3)CC2)nn1C ZINC000100687590 472528165 /nfs/dbraw/zinc/52/81/65/472528165.db2.gz ZSDOIEQHUBYTOL-IYBDPMFKSA-N 1 3 334.508 2.524 40 0 EFABHO CNCc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCOCC3)CC2)nn1C ZINC000100687590 472528171 /nfs/dbraw/zinc/52/81/71/472528171.db2.gz ZSDOIEQHUBYTOL-IYBDPMFKSA-N 1 3 334.508 2.524 40 0 EFABHO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000113947163 473426966 /nfs/dbraw/zinc/42/69/66/473426966.db2.gz URRSPSUWLKRYOF-INIZCTEOSA-N 1 3 329.488 2.743 40 0 EFABHO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)C1 ZINC000113947163 473426969 /nfs/dbraw/zinc/42/69/69/473426969.db2.gz URRSPSUWLKRYOF-INIZCTEOSA-N 1 3 329.488 2.743 40 0 EFABHO CN1CCC[C@@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259553 /nfs/dbraw/zinc/25/95/53/474259553.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 1 3 349.563 2.685 40 0 EFABHO CN1CCC[C@@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259558 /nfs/dbraw/zinc/25/95/58/474259558.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 1 3 349.563 2.685 40 0 EFABHO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000242495314 474560215 /nfs/dbraw/zinc/56/02/15/474560215.db2.gz GAHXESDVRZYYBY-FHWLQOOXSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000242495314 474560220 /nfs/dbraw/zinc/56/02/20/474560220.db2.gz GAHXESDVRZYYBY-FHWLQOOXSA-N 1 3 331.504 2.919 40 0 EFABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000100768865 219105558 /nfs/dbraw/zinc/10/55/58/219105558.db2.gz VQPTXBUFOPJWRI-YSIASYRMSA-N 1 3 343.515 2.780 40 0 EFABHO CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404713 217220220 /nfs/dbraw/zinc/22/02/20/217220220.db2.gz OJCKWVXKICVMSX-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079415847 217223290 /nfs/dbraw/zinc/22/32/90/217223290.db2.gz MAPIXEMDPPZCGS-OALUTQOASA-N 1 3 331.504 2.730 40 0 EFABHO CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079415847 217223293 /nfs/dbraw/zinc/22/32/93/217223293.db2.gz MAPIXEMDPPZCGS-OALUTQOASA-N 1 3 331.504 2.730 40 0 EFABHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COC)C2)CC1 ZINC000093337941 218216166 /nfs/dbraw/zinc/21/61/66/218216166.db2.gz DFIQGGGEXLKQBJ-SFHVURJKSA-N 1 3 331.504 2.687 40 0 EFABHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](COC)C2)CC1 ZINC000093337941 218216169 /nfs/dbraw/zinc/21/61/69/218216169.db2.gz DFIQGGGEXLKQBJ-SFHVURJKSA-N 1 3 331.504 2.687 40 0 EFABHO CC(C)C[C@H](N)C(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096156948 279174514 /nfs/dbraw/zinc/17/45/14/279174514.db2.gz OLSKMQFBFJJURO-HNNXBMFYSA-N 1 3 335.879 2.681 40 0 EFABHO Cc1ccc(CN2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)o1 ZINC000096106676 473298933 /nfs/dbraw/zinc/29/89/33/473298933.db2.gz DNTKNDFIWXYIPB-IBGZPJMESA-N 1 3 348.487 2.824 40 0 EFABHO c1ccc(CN2CC[C@]3(C[C@H](OCC[NH+]4CCCC4)CO3)C2)cc1 ZINC000096207968 473342971 /nfs/dbraw/zinc/34/29/71/473342971.db2.gz YJZVTJNGUDVHOV-PMACEKPBSA-N 1 3 330.472 2.532 40 0 EFABHO c1coc(CN2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)c1 ZINC000096206008 473339979 /nfs/dbraw/zinc/33/99/79/473339979.db2.gz BNNLAUCYKAKEGI-SFHVURJKSA-N 1 3 334.460 2.516 40 0 EFABHO COC[C@H]1CC2(CN1Cc1cccnc1)CC[NH+](C1CCC1)CC2 ZINC000096208725 473344749 /nfs/dbraw/zinc/34/47/49/473344749.db2.gz ITBKYRBAEMCBFZ-LJQANCHMSA-N 1 3 329.488 2.937 40 0 EFABHO COC[C@@H]1CC2(CN1Cc1cccnc1)CC[NH+](C1CCC1)CC2 ZINC000096208724 473345667 /nfs/dbraw/zinc/34/56/67/473345667.db2.gz ITBKYRBAEMCBFZ-IBGZPJMESA-N 1 3 329.488 2.937 40 0 EFABHO COc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@H]3COCC3CC3)C2)cc1 ZINC000096217626 473349265 /nfs/dbraw/zinc/34/92/65/473349265.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 1 3 344.499 2.876 40 0 EFABHO COc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@H]3COCC3CC3)C2)cc1 ZINC000096217626 473349270 /nfs/dbraw/zinc/34/92/70/473349270.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 1 3 344.499 2.876 40 0 EFABHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](CC1CC1)CC2 ZINC000096240368 473362257 /nfs/dbraw/zinc/36/22/57/473362257.db2.gz OTYDVEJMMPOVOX-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO Cc1cc(CSC2=[NH+]CCN2)c(C)cc1CSC1=NCCN1 ZINC000001735873 471396572 /nfs/dbraw/zinc/39/65/72/471396572.db2.gz SDDKFWPFLNGNMY-UHFFFAOYSA-N 1 3 334.514 2.688 40 0 EFABHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000065867875 473021276 /nfs/dbraw/zinc/02/12/76/473021276.db2.gz IBUIPMUHJOCAJP-VQTJNVASSA-N 1 3 341.499 2.642 40 0 EFABHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000065867875 473021282 /nfs/dbraw/zinc/02/12/82/473021282.db2.gz IBUIPMUHJOCAJP-VQTJNVASSA-N 1 3 341.499 2.642 40 0 EFABHO CC(=O)NC1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000132778163 526699088 /nfs/dbraw/zinc/69/90/88/526699088.db2.gz DYUAETKTFGZQEC-UHFFFAOYSA-N 1 3 349.544 2.997 40 0 EFABHO c1cc(NC2CCN(Cc3ccccc3)CC2)n(C2CC[NH2+]CC2)n1 ZINC000072399289 216192897 /nfs/dbraw/zinc/19/28/97/216192897.db2.gz ANCQVSQUHXOFHX-UHFFFAOYSA-N 1 3 339.487 2.884 40 0 EFABHO CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079404673 217220441 /nfs/dbraw/zinc/22/04/41/217220441.db2.gz MNCLUTOJRFGRIY-MOPGFXCFSA-N 1 3 331.504 2.730 40 0 EFABHO CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079404673 217220444 /nfs/dbraw/zinc/22/04/44/217220444.db2.gz MNCLUTOJRFGRIY-MOPGFXCFSA-N 1 3 331.504 2.730 40 0 EFABHO CCc1ccc(CN2CC[C@H]3[C@H](C[C@@H](CN4CCCC4)[N@@H+]3C)C2)o1 ZINC000096185586 473327016 /nfs/dbraw/zinc/32/70/16/473327016.db2.gz TYVRJLPXOLDXHN-UWVAXJGDSA-N 1 3 331.504 2.832 40 0 EFABHO CCc1ccc(CN2CC[C@H]3[C@H](C[C@@H](CN4CCCC4)[N@H+]3C)C2)o1 ZINC000096185586 473327018 /nfs/dbraw/zinc/32/70/18/473327018.db2.gz TYVRJLPXOLDXHN-UWVAXJGDSA-N 1 3 331.504 2.832 40 0 EFABHO CCc1ccc(CN2CC[C@H]3[C@H](C[C@@H](C[NH+]4CCCC4)N3C)C2)o1 ZINC000096185586 473327027 /nfs/dbraw/zinc/32/70/27/473327027.db2.gz TYVRJLPXOLDXHN-UWVAXJGDSA-N 1 3 331.504 2.832 40 0 EFABHO COC[C@@H]1CC2(CN1Cc1ccncc1)CC[NH+](C1CCC1)CC2 ZINC000096208486 473345636 /nfs/dbraw/zinc/34/56/36/473345636.db2.gz HVPBOBLZTZFGDF-IBGZPJMESA-N 1 3 329.488 2.937 40 0 EFABHO Cc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000006521288 471548940 /nfs/dbraw/zinc/54/89/40/471548940.db2.gz YRWJOASWSWQYET-UHFFFAOYSA-N 1 3 335.492 2.504 40 0 EFABHO OC1([C@H]2NCCc3ccccc32)CC[NH+](CCc2ccccc2)CC1 ZINC000031759252 472392880 /nfs/dbraw/zinc/39/28/80/472392880.db2.gz CFCHEFXZEZPWCS-NRFANRHFSA-N 1 3 336.479 2.943 40 0 EFABHO CC[NH+](CC)C[C@H]1CC2(CCN(Cc3ccc(OC)c(O)c3)CC2)O1 ZINC000306139134 474811188 /nfs/dbraw/zinc/81/11/88/474811188.db2.gz SQCBTQDCCKXTAC-QGZVFWFLSA-N 1 3 348.487 2.866 40 0 EFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104126 479286213 /nfs/dbraw/zinc/28/62/13/479286213.db2.gz WRQCPHDNKOVNAT-QGZVFWFLSA-N 1 3 338.517 2.555 40 0 EFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585104126 479286218 /nfs/dbraw/zinc/28/62/18/479286218.db2.gz WRQCPHDNKOVNAT-QGZVFWFLSA-N 1 3 338.517 2.555 40 0 EFABHO CN1CC2(C[C@H]1C(=O)N1CCCC1)CC[NH+](Cc1ccsc1)CC2 ZINC000675009194 1099619377 /nfs/dbraw/zinc/61/93/77/1099619377.db2.gz AXHMYDSWEGVZHG-KRWDZBQOSA-N 1 3 347.528 2.657 40 0 EFABHO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1CN1CCCC1 ZINC000072324492 216151076 /nfs/dbraw/zinc/15/10/76/216151076.db2.gz WGLHMORYDHPQNY-PXNSSMCTSA-N 1 3 343.515 2.960 40 0 EFABHO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1CN1CCCC1 ZINC000072324492 216151078 /nfs/dbraw/zinc/15/10/78/216151078.db2.gz WGLHMORYDHPQNY-PXNSSMCTSA-N 1 3 343.515 2.960 40 0 EFABHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000079289678 217203991 /nfs/dbraw/zinc/20/39/91/217203991.db2.gz IBUIPMUHJOCAJP-WOJBJXKFSA-N 1 3 341.499 2.642 40 0 EFABHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000079289678 217203995 /nfs/dbraw/zinc/20/39/95/217203995.db2.gz IBUIPMUHJOCAJP-WOJBJXKFSA-N 1 3 341.499 2.642 40 0 EFABHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000079415856 217224009 /nfs/dbraw/zinc/22/40/09/217224009.db2.gz JYODLIQUJCEMEY-IBGZPJMESA-N 1 3 331.504 2.730 40 0 EFABHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000079415856 217224011 /nfs/dbraw/zinc/22/40/11/217224011.db2.gz JYODLIQUJCEMEY-IBGZPJMESA-N 1 3 331.504 2.730 40 0 EFABHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COC)C2)CC1 ZINC000093337942 218215774 /nfs/dbraw/zinc/21/57/74/218215774.db2.gz DFIQGGGEXLKQBJ-GOSISDBHSA-N 1 3 331.504 2.687 40 0 EFABHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](COC)C2)CC1 ZINC000093337942 218215777 /nfs/dbraw/zinc/21/57/77/218215777.db2.gz DFIQGGGEXLKQBJ-GOSISDBHSA-N 1 3 331.504 2.687 40 0 EFABHO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccncc2)cn1 ZINC000096081941 473293234 /nfs/dbraw/zinc/29/32/34/473293234.db2.gz SAQSQZXYUPDPMP-YQVWRLOYSA-N 1 3 325.460 2.775 40 0 EFABHO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ccncc2)cn1 ZINC000096081941 473293240 /nfs/dbraw/zinc/29/32/40/473293240.db2.gz SAQSQZXYUPDPMP-YQVWRLOYSA-N 1 3 325.460 2.775 40 0 EFABHO COCC[N@@H+]1CC2(C[C@H]1COC)CCN(Cc1ccsc1)CC2 ZINC000096207478 473342274 /nfs/dbraw/zinc/34/22/74/473342274.db2.gz LPCLIWNUXNLAPW-KRWDZBQOSA-N 1 3 338.517 2.697 40 0 EFABHO COCC[N@H+]1CC2(C[C@H]1COC)CCN(Cc1ccsc1)CC2 ZINC000096207478 473342281 /nfs/dbraw/zinc/34/22/81/473342281.db2.gz LPCLIWNUXNLAPW-KRWDZBQOSA-N 1 3 338.517 2.697 40 0 EFABHO CC[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(CC3CC3)C2)C1 ZINC000096216764 473350279 /nfs/dbraw/zinc/35/02/79/473350279.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 1 3 329.488 2.652 40 0 EFABHO CC[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(CC3CC3)C2)C1 ZINC000096216764 473350286 /nfs/dbraw/zinc/35/02/86/473350286.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 1 3 329.488 2.652 40 0 EFABHO C[NH+](C)CCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000013673813 471837559 /nfs/dbraw/zinc/83/75/59/471837559.db2.gz ADYBOLRSHBSIFV-UHFFFAOYSA-N 1 3 337.467 2.536 40 0 EFABHO COc1cccc([C@@H]2[C@H](NC3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000157041131 472777588 /nfs/dbraw/zinc/77/75/88/472777588.db2.gz DILBIQPHBVSQLP-WOJBJXKFSA-N 1 3 329.488 2.657 40 0 EFABHO C[NH+](C)[C@@H]1CCOC2(CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000108528221 473035311 /nfs/dbraw/zinc/03/53/11/473035311.db2.gz IWZMNDQMPKINCF-GOSISDBHSA-N 1 3 330.472 2.697 40 0 EFABHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000252585082 474699937 /nfs/dbraw/zinc/69/99/37/474699937.db2.gz FXWDRVDOODGFDE-LQKXBSAESA-N 1 3 330.394 2.656 40 0 EFABHO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@@H](N)c1ccccc1 ZINC000261602963 474990041 /nfs/dbraw/zinc/99/00/41/474990041.db2.gz ASMUWQXYQRCAKR-JOCLIGHLSA-N 1 3 337.467 2.523 40 0 EFABHO C[NH+](C)CCCN[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289370 479309698 /nfs/dbraw/zinc/30/96/98/479309698.db2.gz ILSXUESKZVBWGB-GVDBMIGSSA-N 1 3 326.868 2.542 40 0 EFABHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289695 479310405 /nfs/dbraw/zinc/31/04/05/479310405.db2.gz VHRRAOFJJOABMF-XUVXKRRUSA-N 1 3 334.504 2.977 40 0 EFABHO C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000095421705 218364180 /nfs/dbraw/zinc/36/41/80/218364180.db2.gz QSGDWRDFRTUSDM-FQEVSTJZSA-N 1 3 337.467 2.755 40 0 EFABHO OC1CCN(Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)CC1 ZINC000095421974 218364368 /nfs/dbraw/zinc/36/43/68/218364368.db2.gz IMDWRAYGGXHCJU-UHFFFAOYSA-N 1 3 336.479 2.900 40 0 EFABHO N=C1NC(=[NH2+])N(c2ccc(Br)cc2)C2(CCCCC2)N1 ZINC000003078052 303360186 /nfs/dbraw/zinc/36/01/86/303360186.db2.gz GNAILLBZLCJWMI-UHFFFAOYSA-N 1 3 336.237 2.559 40 0 EFABHO Cn1cc(CN2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cn1 ZINC000096051552 473274946 /nfs/dbraw/zinc/27/49/46/473274946.db2.gz BTLACERURYMNAX-SFHVURJKSA-N 1 3 328.460 2.890 40 0 EFABHO Cn1cc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cn1 ZINC000096051552 473274953 /nfs/dbraw/zinc/27/49/53/473274953.db2.gz BTLACERURYMNAX-SFHVURJKSA-N 1 3 328.460 2.890 40 0 EFABHO c1cc(CN2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)co1 ZINC000096206943 473342340 /nfs/dbraw/zinc/34/23/40/473342340.db2.gz XNVIEUVXAOMBNV-SFHVURJKSA-N 1 3 334.460 2.516 40 0 EFABHO COC[C@@H]1CC2(C[N@@H+]1C)CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000096207551 473342766 /nfs/dbraw/zinc/34/27/66/473342766.db2.gz UWXJRVBHBIUJCM-KRWDZBQOSA-N 1 3 348.487 2.637 40 0 EFABHO COC[C@@H]1CC2(C[N@H+]1C)CCN(Cc1cc(OC)cc(OC)c1)CC2 ZINC000096207551 473342770 /nfs/dbraw/zinc/34/27/70/473342770.db2.gz UWXJRVBHBIUJCM-KRWDZBQOSA-N 1 3 348.487 2.637 40 0 EFABHO CN(C)CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccsc1)CC2 ZINC000096217705 473348632 /nfs/dbraw/zinc/34/86/32/473348632.db2.gz KWPAQPXNCUCIIY-GOSISDBHSA-N 1 3 335.517 2.657 40 0 EFABHO CN(C)CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccsc1)CC2 ZINC000096217705 473348634 /nfs/dbraw/zinc/34/86/34/473348634.db2.gz KWPAQPXNCUCIIY-GOSISDBHSA-N 1 3 335.517 2.657 40 0 EFABHO C[NH+]1CCC2(C[C@H](COCC3CC3)N(Cc3cccnc3)C2)CC1 ZINC000096216940 473348991 /nfs/dbraw/zinc/34/89/91/473348991.db2.gz LERRQXKPMZNMOD-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO C[NH+]1CCC2(C[C@@H](COCC3CC3)N(Cc3cccnc3)C2)CC1 ZINC000096216942 473350448 /nfs/dbraw/zinc/35/04/48/473350448.db2.gz LERRQXKPMZNMOD-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[N@@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096219830 473353393 /nfs/dbraw/zinc/35/33/93/473353393.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 1 3 328.500 2.909 40 0 EFABHO C[N@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096219830 473353399 /nfs/dbraw/zinc/35/33/99/473353399.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 1 3 328.500 2.909 40 0 EFABHO O=C(NCCN1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013680155 471836964 /nfs/dbraw/zinc/83/69/64/471836964.db2.gz AHXCWZCSHUKYFA-UHFFFAOYSA-N 1 3 329.488 2.888 40 0 EFABHO CCCN1CCN(c2ccccc2C[NH2+]C2CCC(O)CC2)CC1 ZINC000088668754 472379930 /nfs/dbraw/zinc/37/99/30/472379930.db2.gz YWKMLOVDWUGASO-UHFFFAOYSA-N 1 3 331.504 2.612 40 0 EFABHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000089158245 472391659 /nfs/dbraw/zinc/39/16/59/472391659.db2.gz SELBSOSONQUJNP-SJORKVTESA-N 1 3 325.497 2.706 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391096 472856678 /nfs/dbraw/zinc/85/66/78/472856678.db2.gz GVKUPTSVHWKTTJ-IBGZPJMESA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391096 472856682 /nfs/dbraw/zinc/85/66/82/472856682.db2.gz GVKUPTSVHWKTTJ-IBGZPJMESA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404776 472859997 /nfs/dbraw/zinc/85/99/97/472859997.db2.gz VDSYMKVGFGGHHM-OALUTQOASA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000079404705 472860108 /nfs/dbraw/zinc/86/01/08/472860108.db2.gz PUAWULFUHJTPSI-OALUTQOASA-N 1 3 331.504 2.729 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404705 472860115 /nfs/dbraw/zinc/86/01/15/472860115.db2.gz PUAWULFUHJTPSI-OALUTQOASA-N 1 3 331.504 2.729 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404759 472860569 /nfs/dbraw/zinc/86/05/69/472860569.db2.gz WBAQSTYLPZVOCK-MOPGFXCFSA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404759 472860575 /nfs/dbraw/zinc/86/05/75/472860575.db2.gz WBAQSTYLPZVOCK-MOPGFXCFSA-N 1 3 329.488 2.625 40 0 EFABHO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000113972539 473429921 /nfs/dbraw/zinc/42/99/21/473429921.db2.gz PVAYKXBYFZJWEH-MRXNPFEDSA-N 1 3 349.906 2.762 40 0 EFABHO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000195560497 474096629 /nfs/dbraw/zinc/09/66/29/474096629.db2.gz FCMVQVZPQRVGQH-PMACEKPBSA-N 1 3 343.515 2.671 40 0 EFABHO C[NH+](C)C1CCN(CCNCc2sccc2Br)CC1 ZINC000195564555 474097584 /nfs/dbraw/zinc/09/75/84/474097584.db2.gz BNYQXAXHUUQLJE-UHFFFAOYSA-N 1 3 346.338 2.626 40 0 EFABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000100768867 219105742 /nfs/dbraw/zinc/10/57/42/219105742.db2.gz VQPTXBUFOPJWRI-RLLQIKCJSA-N 1 3 343.515 2.780 40 0 EFABHO OC1([C@@H]2NCCc3ccccc32)CC[NH+](CCc2ccccc2)CC1 ZINC000001564982 209760488 /nfs/dbraw/zinc/76/04/88/209760488.db2.gz CFCHEFXZEZPWCS-OAQYLSRUSA-N 1 3 336.479 2.943 40 0 EFABHO c1ccc(CNCCOCCOCC[NH2+]Cc2ccccc2)cc1 ZINC000039252219 213232548 /nfs/dbraw/zinc/23/25/48/213232548.db2.gz FQEGBHFZAGTXDY-UHFFFAOYSA-N 1 3 328.456 2.599 40 0 EFABHO CCN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H](N)C(C)C ZINC000079404680 217220317 /nfs/dbraw/zinc/22/03/17/217220317.db2.gz AKFOWVXYPSPDJD-IBGZPJMESA-N 1 3 331.504 2.730 40 0 EFABHO CN1CCC[C@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108745 /nfs/dbraw/zinc/10/87/45/218108745.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 1 3 349.563 2.685 40 0 EFABHO CN1CCC[C@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043355 218108747 /nfs/dbraw/zinc/10/87/47/218108747.db2.gz AZXCNRWFSJJBRE-PMACEKPBSA-N 1 3 349.563 2.685 40 0 EFABHO Cc1ccccc1C[NH2+]C[C@H]1CC[C@@]2(COCCN(C(C)C)C2)O1 ZINC000306134874 257921414 /nfs/dbraw/zinc/92/14/14/257921414.db2.gz OAKBUENRMGKMFB-WOJBJXKFSA-N 1 3 332.488 2.743 40 0 EFABHO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000082091706 473286002 /nfs/dbraw/zinc/28/60/02/473286002.db2.gz FCMVQVZPQRVGQH-UXHICEINSA-N 1 3 343.515 2.671 40 0 EFABHO Cc1ccc(CN2CC[C@@H]3O[C@H](COCC[NH+](C)C)CC[C@@H]32)s1 ZINC000096186066 473325904 /nfs/dbraw/zinc/32/59/04/473325904.db2.gz DBCKAJMSWOWCEB-SZMVWBNQSA-N 1 3 338.517 2.757 40 0 EFABHO C[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC000096207788 473342436 /nfs/dbraw/zinc/34/24/36/473342436.db2.gz CBKPYFIZPWXHRB-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO C[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC000096207788 473342444 /nfs/dbraw/zinc/34/24/44/473342444.db2.gz CBKPYFIZPWXHRB-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO O=C(C[N@H+](CC1CC1)C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000069608096 472380335 /nfs/dbraw/zinc/38/03/35/472380335.db2.gz VKJOROMHENGULZ-UHFFFAOYSA-N 1 3 333.520 2.774 40 0 EFABHO O=C(C[N@@H+](CC1CC1)C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000069608096 472380336 /nfs/dbraw/zinc/38/03/36/472380336.db2.gz VKJOROMHENGULZ-UHFFFAOYSA-N 1 3 333.520 2.774 40 0 EFABHO CCOc1c(Br)cc(C[NH2+]CCCN(C)C)cc1OC ZINC000057901343 472489741 /nfs/dbraw/zinc/48/97/41/472489741.db2.gz NRBGGLQWDXDFSQ-UHFFFAOYSA-N 1 3 345.281 2.898 40 0 EFABHO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000585288958 479309713 /nfs/dbraw/zinc/30/97/13/479309713.db2.gz CAFFCJZNKMRHRH-IPMKNSEASA-N 1 3 336.451 2.562 40 0 EFABHO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000585288958 479309723 /nfs/dbraw/zinc/30/97/23/479309723.db2.gz CAFFCJZNKMRHRH-IPMKNSEASA-N 1 3 336.451 2.562 40 0 EFABHO CC[NH+]1CCC(N2CCC[C@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246632 244258546 /nfs/dbraw/zinc/25/85/46/244258546.db2.gz IVALTTRWCDBQDZ-INIZCTEOSA-N 1 3 327.476 2.632 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404756 217220234 /nfs/dbraw/zinc/22/02/34/217220234.db2.gz WBAQSTYLPZVOCK-OALUTQOASA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404756 217220237 /nfs/dbraw/zinc/22/02/37/217220237.db2.gz WBAQSTYLPZVOCK-OALUTQOASA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404796 217221029 /nfs/dbraw/zinc/22/10/29/217221029.db2.gz JBDPPEFWHWNSQE-ICSRJNTNSA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404796 217221031 /nfs/dbraw/zinc/22/10/31/217221031.db2.gz JBDPPEFWHWNSQE-ICSRJNTNSA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415899 217223995 /nfs/dbraw/zinc/22/39/95/217223995.db2.gz RPBSGBNOOGDURV-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415899 217223997 /nfs/dbraw/zinc/22/39/97/217223997.db2.gz RPBSGBNOOGDURV-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000089158248 264658795 /nfs/dbraw/zinc/65/87/95/264658795.db2.gz SELBSOSONQUJNP-DLBZAZTESA-N 1 3 325.497 2.706 40 0 EFABHO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096208163 277022940 /nfs/dbraw/zinc/02/29/40/277022940.db2.gz MRVARIQBDDCYCG-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096208163 277022942 /nfs/dbraw/zinc/02/29/42/277022942.db2.gz MRVARIQBDDCYCG-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[C@@H]1C[N@H+](Cc2cccs2)C[C@]12CCN(CCN1CCCC1)C2=O ZINC000096201710 473339282 /nfs/dbraw/zinc/33/92/82/473339282.db2.gz FGDWLPOMXUMOAY-VQIMIIECSA-N 1 3 347.528 2.514 40 0 EFABHO C[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCN(CCN1CCCC1)C2=O ZINC000096201710 473339295 /nfs/dbraw/zinc/33/92/95/473339295.db2.gz FGDWLPOMXUMOAY-VQIMIIECSA-N 1 3 347.528 2.514 40 0 EFABHO COc1ccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC000096216766 473349734 /nfs/dbraw/zinc/34/97/34/473349734.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 1 3 344.499 2.876 40 0 EFABHO COc1ccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)cc1 ZINC000096216766 473349742 /nfs/dbraw/zinc/34/97/42/473349742.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 1 3 344.499 2.876 40 0 EFABHO CCCCOc1ccc(N2C(=[NH2+])NC(=N)NC23CCCCC3)cc1 ZINC000004140308 471460200 /nfs/dbraw/zinc/46/02/00/471460200.db2.gz DUBNRRUGVDBJKB-UHFFFAOYSA-N 1 3 329.448 2.975 40 0 EFABHO CNc1cc(CN(C)CCc2ccccc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760064 471984791 /nfs/dbraw/zinc/98/47/91/471984791.db2.gz GTUUXFNWSFPCCR-KRWDZBQOSA-N 1 3 325.460 2.617 40 0 EFABHO CNc1cc(CN(C)CCc2ccccc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760068 471985045 /nfs/dbraw/zinc/98/50/45/471985045.db2.gz GTUUXFNWSFPCCR-QGZVFWFLSA-N 1 3 325.460 2.617 40 0 EFABHO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000089158247 472391607 /nfs/dbraw/zinc/39/16/07/472391607.db2.gz SELBSOSONQUJNP-IAGOWNOFSA-N 1 3 325.497 2.706 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415943 472861381 /nfs/dbraw/zinc/86/13/81/472861381.db2.gz ORDBMOFQEYCKSQ-FQEVSTJZSA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415943 472861388 /nfs/dbraw/zinc/86/13/88/472861388.db2.gz ORDBMOFQEYCKSQ-FQEVSTJZSA-N 1 3 343.515 2.873 40 0 EFABHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000195529647 474088937 /nfs/dbraw/zinc/08/89/37/474088937.db2.gz IBUIPMUHJOCAJP-UXHICEINSA-N 1 3 341.499 2.642 40 0 EFABHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000195529647 474088943 /nfs/dbraw/zinc/08/89/43/474088943.db2.gz IBUIPMUHJOCAJP-UXHICEINSA-N 1 3 341.499 2.642 40 0 EFABHO CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H](O)c1ccccc1 ZINC000585272913 479304781 /nfs/dbraw/zinc/30/47/81/479304781.db2.gz NITZVHDXTYDNGZ-FQEVSTJZSA-N 1 3 328.456 2.792 40 0 EFABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079415851 217223953 /nfs/dbraw/zinc/22/39/53/217223953.db2.gz MAPIXEMDPPZCGS-MOPGFXCFSA-N 1 3 331.504 2.730 40 0 EFABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079415851 217223956 /nfs/dbraw/zinc/22/39/56/217223956.db2.gz MAPIXEMDPPZCGS-MOPGFXCFSA-N 1 3 331.504 2.730 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000079404692 280271615 /nfs/dbraw/zinc/27/16/15/280271615.db2.gz DVJZTSQKUMMMOB-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000079404692 280271617 /nfs/dbraw/zinc/27/16/17/280271617.db2.gz DVJZTSQKUMMMOB-OALUTQOASA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1)C(C)C ZINC000079415886 280272337 /nfs/dbraw/zinc/27/23/37/280272337.db2.gz YDKIQWRKZAIAAZ-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415886 280272341 /nfs/dbraw/zinc/27/23/41/280272341.db2.gz YDKIQWRKZAIAAZ-MOPGFXCFSA-N 1 3 331.504 2.871 40 0 EFABHO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CCN2CCCC2)s1 ZINC000096186293 473326132 /nfs/dbraw/zinc/32/61/32/473326132.db2.gz FWNWONDSPIUMHG-ROUUACIJSA-N 1 3 347.528 2.718 40 0 EFABHO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CCN2CCCC2)s1 ZINC000096186293 473326138 /nfs/dbraw/zinc/32/61/38/473326138.db2.gz FWNWONDSPIUMHG-ROUUACIJSA-N 1 3 347.528 2.718 40 0 EFABHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096209878 473346513 /nfs/dbraw/zinc/34/65/13/473346513.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 1 3 328.500 2.909 40 0 EFABHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3ccccc3)C2)C1 ZINC000096209878 473346520 /nfs/dbraw/zinc/34/65/20/473346520.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 1 3 328.500 2.909 40 0 EFABHO COC[C@H]1CN(C)C[C@@]12CC[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348958 /nfs/dbraw/zinc/34/89/58/473348958.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 1 3 338.879 2.619 40 0 EFABHO COC[C@H]1CN(C)C[C@@]12CC[N@@H+](CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348960 /nfs/dbraw/zinc/34/89/60/473348960.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 1 3 338.879 2.619 40 0 EFABHO C[NH+](C)[C@@H]1CCO[C@]2(CCN(CCOc3ccc(Cl)cc3)C2)C1 ZINC000096220248 473354600 /nfs/dbraw/zinc/35/46/00/473354600.db2.gz VGPREDIGAOMVRC-SJLPKXTDSA-N 1 3 338.879 2.904 40 0 EFABHO Cc1ccc(CN2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)cc1 ZINC000096249666 473363996 /nfs/dbraw/zinc/36/39/96/473363996.db2.gz ICGKXPMQEIOSNB-TZIWHRDSSA-N 1 3 344.499 2.697 40 0 EFABHO Cc1ccc(CN2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)cc1 ZINC000096249666 473364008 /nfs/dbraw/zinc/36/40/08/473364008.db2.gz ICGKXPMQEIOSNB-TZIWHRDSSA-N 1 3 344.499 2.697 40 0 EFABHO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000089158246 472391740 /nfs/dbraw/zinc/39/17/40/472391740.db2.gz SELBSOSONQUJNP-IRXDYDNUSA-N 1 3 325.497 2.706 40 0 EFABHO COc1cccc([C@H]2[C@@H](NC3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000195554146 474094482 /nfs/dbraw/zinc/09/44/82/474094482.db2.gz DILBIQPHBVSQLP-PMACEKPBSA-N 1 3 329.488 2.657 40 0 EFABHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000195560492 474096530 /nfs/dbraw/zinc/09/65/30/474096530.db2.gz FCMVQVZPQRVGQH-WOJBJXKFSA-N 1 3 343.515 2.671 40 0 EFABHO COc1ccc(CN2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1 ZINC000096047951 473269113 /nfs/dbraw/zinc/26/91/13/473269113.db2.gz VVKWLHRIUFAJLA-GOSISDBHSA-N 1 3 330.472 2.915 40 0 EFABHO CC(=O)N1[C@@H](C[NH+]2CCCC2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 ZINC000096064379 473287723 /nfs/dbraw/zinc/28/77/23/473287723.db2.gz WFGGOUAJDCEZMY-LMMKCTJWSA-N 1 3 347.528 2.655 40 0 EFABHO c1cncc(CN2CCCC3(CCN(CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096071859 473289941 /nfs/dbraw/zinc/28/99/41/473289941.db2.gz RDMYEQWNWNXKGP-UHFFFAOYSA-N 1 3 342.531 2.855 40 0 EFABHO CC(C)[N@H+](C)C[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 ZINC000096224941 473356716 /nfs/dbraw/zinc/35/67/16/473356716.db2.gz LTJKTOHEKOHIHM-GOSISDBHSA-N 1 3 334.508 2.522 40 0 EFABHO CC(C)[N@@H+](C)C[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 ZINC000096224941 473356722 /nfs/dbraw/zinc/35/67/22/473356722.db2.gz LTJKTOHEKOHIHM-GOSISDBHSA-N 1 3 334.508 2.522 40 0 EFABHO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3CCN(C)C)CC2)s1 ZINC000096228042 473359144 /nfs/dbraw/zinc/35/91/44/473359144.db2.gz RIUDJJCHTPUXBE-UHFFFAOYSA-N 1 3 335.517 2.575 40 0 EFABHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](CC1CC1)CC2 ZINC000096240367 473362329 /nfs/dbraw/zinc/36/23/29/473362329.db2.gz OTYDVEJMMPOVOX-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391092 472856078 /nfs/dbraw/zinc/85/60/78/472856078.db2.gz XUFXQIWHPUPJLV-MOPGFXCFSA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391092 472856084 /nfs/dbraw/zinc/85/60/84/472856084.db2.gz XUFXQIWHPUPJLV-MOPGFXCFSA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415898 472861267 /nfs/dbraw/zinc/86/12/67/472861267.db2.gz JTIAEFDCMSYPFH-MOPGFXCFSA-N 1 3 331.504 2.729 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079415898 472861272 /nfs/dbraw/zinc/86/12/72/472861272.db2.gz JTIAEFDCMSYPFH-MOPGFXCFSA-N 1 3 331.504 2.729 40 0 EFABHO Cc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1F ZINC000122358903 473005207 /nfs/dbraw/zinc/00/52/07/473005207.db2.gz RKZOJAQDJSXMSH-UHFFFAOYSA-N 1 3 348.466 2.814 40 0 EFABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000257319081 474951194 /nfs/dbraw/zinc/95/11/94/474951194.db2.gz VQPTXBUFOPJWRI-IHPCNDPISA-N 1 3 343.515 2.780 40 0 EFABHO C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)[C@H](N)c1ccccc1 ZINC000261602964 474990932 /nfs/dbraw/zinc/99/09/32/474990932.db2.gz ASMUWQXYQRCAKR-LDTOTXGLSA-N 1 3 337.467 2.523 40 0 EFABHO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000585289676 479310752 /nfs/dbraw/zinc/31/07/52/479310752.db2.gz UVNGAUKEIDDKMK-XUVXKRRUSA-N 1 3 332.488 2.813 40 0 EFABHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)C(F)(F)F ZINC000195577372 241024403 /nfs/dbraw/zinc/02/44/03/241024403.db2.gz FXWDRVDOODGFDE-UMVBOHGHSA-N 1 3 330.394 2.656 40 0 EFABHO CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404775 217221073 /nfs/dbraw/zinc/22/10/73/217221073.db2.gz VDSYMKVGFGGHHM-MOPGFXCFSA-N 1 3 329.488 2.625 40 0 EFABHO CC[N@H+](Cc1ccccc1)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079415864 217223928 /nfs/dbraw/zinc/22/39/28/217223928.db2.gz GAHXESDVRZYYBY-ACBHZAAOSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079415864 217223929 /nfs/dbraw/zinc/22/39/29/217223929.db2.gz GAHXESDVRZYYBY-ACBHZAAOSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000079415844 217223449 /nfs/dbraw/zinc/22/34/49/217223449.db2.gz PCRUDJRGQDKPHN-MOPGFXCFSA-N 1 3 331.504 2.873 40 0 EFABHO CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C ZINC000079415844 217223453 /nfs/dbraw/zinc/22/34/53/217223453.db2.gz PCRUDJRGQDKPHN-MOPGFXCFSA-N 1 3 331.504 2.873 40 0 EFABHO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000095421704 218364358 /nfs/dbraw/zinc/36/43/58/218364358.db2.gz QSGDWRDFRTUSDM-HXUWFJFHSA-N 1 3 337.467 2.755 40 0 EFABHO c1ccc(CN2CCC3(CC2)CC[NH+](C[C@@H]2CCOC2)CC3)nc1 ZINC000096158382 473318200 /nfs/dbraw/zinc/31/82/00/473318200.db2.gz WGCVGIOUXHNWKN-SFHVURJKSA-N 1 3 329.488 2.796 40 0 EFABHO COC[C@@H]1CC2(CN1Cc1cccnc1)CC[NH+](CC1CC1)CC2 ZINC000096206931 473342946 /nfs/dbraw/zinc/34/29/46/473342946.db2.gz QRRHRKMUIMODCE-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096207052 473343550 /nfs/dbraw/zinc/34/35/50/473343550.db2.gz JVLICVLIXATXOP-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096207052 473343552 /nfs/dbraw/zinc/34/35/52/473343552.db2.gz JVLICVLIXATXOP-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC000096207789 473343671 /nfs/dbraw/zinc/34/36/71/473343671.db2.gz CBKPYFIZPWXHRB-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(Cc1ccncc1)CC2 ZINC000096207789 473343679 /nfs/dbraw/zinc/34/36/79/473343679.db2.gz CBKPYFIZPWXHRB-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000057128043 472383991 /nfs/dbraw/zinc/38/39/91/472383991.db2.gz QBRBYPICZNXSPB-UHFFFAOYSA-N 1 3 331.504 2.603 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415938 472861305 /nfs/dbraw/zinc/86/13/05/472861305.db2.gz WTOFGSGJPOHSHG-QUCCMNQESA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415938 472861310 /nfs/dbraw/zinc/86/13/10/472861310.db2.gz WTOFGSGJPOHSHG-QUCCMNQESA-N 1 3 343.515 2.873 40 0 EFABHO C[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000113972541 473430118 /nfs/dbraw/zinc/43/01/18/473430118.db2.gz PVAYKXBYFZJWEH-INIZCTEOSA-N 1 3 349.906 2.762 40 0 EFABHO COc1cccc([C@H]2[C@H](NC3CC[NH+](C)CC3)CCN2C2CC2)c1 ZINC000195554148 474094725 /nfs/dbraw/zinc/09/47/25/474094725.db2.gz DILBIQPHBVSQLP-UXHICEINSA-N 1 3 329.488 2.657 40 0 EFABHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000225447078 474213948 /nfs/dbraw/zinc/21/39/48/474213948.db2.gz HFHWWCRPJVPLCB-HXUWFJFHSA-N 1 3 337.467 2.783 40 0 EFABHO CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000242538747 474559942 /nfs/dbraw/zinc/55/99/42/474559942.db2.gz JEBVIFPSNAJBGS-QRVBRYPASA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000242538747 474559948 /nfs/dbraw/zinc/55/99/48/474559948.db2.gz JEBVIFPSNAJBGS-QRVBRYPASA-N 1 3 331.504 2.919 40 0 EFABHO C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cccnc1)CC2 ZINC000585103930 479284310 /nfs/dbraw/zinc/28/43/10/479284310.db2.gz UCYHUELTSFPQQH-LJQANCHMSA-N 1 3 329.488 2.652 40 0 EFABHO C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cccnc1)CC2 ZINC000585103930 479284318 /nfs/dbraw/zinc/28/43/18/479284318.db2.gz UCYHUELTSFPQQH-LJQANCHMSA-N 1 3 329.488 2.652 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404791 217220755 /nfs/dbraw/zinc/22/07/55/217220755.db2.gz JBDPPEFWHWNSQE-QUCCMNQESA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404791 217220758 /nfs/dbraw/zinc/22/07/58/217220758.db2.gz JBDPPEFWHWNSQE-QUCCMNQESA-N 1 3 343.515 2.873 40 0 EFABHO CN1CCC[C@@H]2C[N@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108910 /nfs/dbraw/zinc/10/89/10/218108910.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 1 3 349.563 2.685 40 0 EFABHO CN1CCC[C@@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@@H]21 ZINC000092043356 218108911 /nfs/dbraw/zinc/10/89/11/218108911.db2.gz AZXCNRWFSJJBRE-UXHICEINSA-N 1 3 349.563 2.685 40 0 EFABHO c1cncc(CN2CCCC23CC[NH+](CC2CCOCC2)CC3)c1 ZINC000096049322 473274042 /nfs/dbraw/zinc/27/40/42/473274042.db2.gz HRBIBIPCFHQRHU-UHFFFAOYSA-N 1 3 329.488 2.939 40 0 EFABHO COC[C@@H]1CC2(CN1Cc1ccncc1)CC[NH+](CC1CC1)CC2 ZINC000096206057 473340364 /nfs/dbraw/zinc/34/03/64/473340364.db2.gz IIYHWPWVPXMUTI-IBGZPJMESA-N 1 3 329.488 2.795 40 0 EFABHO CC(C)[N@H+](C)C[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 ZINC000096224940 473355700 /nfs/dbraw/zinc/35/57/00/473355700.db2.gz LTJKTOHEKOHIHM-SFHVURJKSA-N 1 3 334.508 2.522 40 0 EFABHO CC(C)[N@@H+](C)C[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)CO1 ZINC000096224940 473355705 /nfs/dbraw/zinc/35/57/05/473355705.db2.gz LTJKTOHEKOHIHM-SFHVURJKSA-N 1 3 334.508 2.522 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391089 472856853 /nfs/dbraw/zinc/85/68/53/472856853.db2.gz XUFXQIWHPUPJLV-OALUTQOASA-N 1 3 329.488 2.625 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391089 472856858 /nfs/dbraw/zinc/85/68/58/472856858.db2.gz XUFXQIWHPUPJLV-OALUTQOASA-N 1 3 329.488 2.625 40 0 EFABHO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177579 219093652 /nfs/dbraw/zinc/09/36/52/219093652.db2.gz GAHXESDVRZYYBY-OTWHNJEPSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177579 219093655 /nfs/dbraw/zinc/09/36/55/219093655.db2.gz GAHXESDVRZYYBY-OTWHNJEPSA-N 1 3 331.504 2.919 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415934 217223023 /nfs/dbraw/zinc/22/30/23/217223023.db2.gz WTOFGSGJPOHSHG-ICSRJNTNSA-N 1 3 343.515 2.873 40 0 EFABHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415934 217223027 /nfs/dbraw/zinc/22/30/27/217223027.db2.gz WTOFGSGJPOHSHG-ICSRJNTNSA-N 1 3 343.515 2.873 40 0 EFABHO COC[C@H]1CC2(CN1Cc1ccncc1)CC[NH+](CC1CC1)CC2 ZINC000096206058 473340714 /nfs/dbraw/zinc/34/07/14/473340714.db2.gz IIYHWPWVPXMUTI-LJQANCHMSA-N 1 3 329.488 2.795 40 0 EFABHO COCC[N@@H+]1CC2(C[C@@H]1COC)CCN(Cc1ccsc1)CC2 ZINC000096207477 473342687 /nfs/dbraw/zinc/34/26/87/473342687.db2.gz LPCLIWNUXNLAPW-QGZVFWFLSA-N 1 3 338.517 2.697 40 0 EFABHO COCC[N@H+]1CC2(C[C@@H]1COC)CCN(Cc1ccsc1)CC2 ZINC000096207477 473342694 /nfs/dbraw/zinc/34/26/94/473342694.db2.gz LPCLIWNUXNLAPW-QGZVFWFLSA-N 1 3 338.517 2.697 40 0 EFABHO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CCN(C)C)CC2)s1 ZINC000096217722 473348845 /nfs/dbraw/zinc/34/88/45/473348845.db2.gz LOZJFBJOQQOODY-IBGZPJMESA-N 1 3 349.544 2.965 40 0 EFABHO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CCN(C)C)CC2)s1 ZINC000096217722 473348851 /nfs/dbraw/zinc/34/88/51/473348851.db2.gz LOZJFBJOQQOODY-IBGZPJMESA-N 1 3 349.544 2.965 40 0 EFABHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OC ZINC000008253589 471675114 /nfs/dbraw/zinc/67/51/14/471675114.db2.gz NIGVRCRBZNLRCH-UHFFFAOYSA-N 1 3 345.281 2.898 40 0 EFABHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000195529648 474088705 /nfs/dbraw/zinc/08/87/05/474088705.db2.gz IBUIPMUHJOCAJP-PMACEKPBSA-N 1 3 341.499 2.642 40 0 EFABHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCN(Cc2ccccc2)CC1 ZINC000195529648 474088710 /nfs/dbraw/zinc/08/87/10/474088710.db2.gz IBUIPMUHJOCAJP-PMACEKPBSA-N 1 3 341.499 2.642 40 0 EFABHO CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000242538748 474559360 /nfs/dbraw/zinc/55/93/60/474559360.db2.gz JEBVIFPSNAJBGS-QYZOEREBSA-N 1 3 331.504 2.919 40 0 EFABHO CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000242538748 474559365 /nfs/dbraw/zinc/55/93/65/474559365.db2.gz JEBVIFPSNAJBGS-QYZOEREBSA-N 1 3 331.504 2.919 40 0 EFABHO CC[NH+]1CCC(N2CCC(c3ccnc4cc(C)nn43)CC2)CC1 ZINC000257331930 474958657 /nfs/dbraw/zinc/95/86/57/474958657.db2.gz XUYGESWQKWIMNE-UHFFFAOYSA-N 1 3 327.476 2.701 40 0 EFABHO COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102905 479284555 /nfs/dbraw/zinc/28/45/55/479284555.db2.gz HPYKEXCQSFWQTO-INIZCTEOSA-N 1 3 338.517 2.555 40 0 EFABHO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102905 479284559 /nfs/dbraw/zinc/28/45/59/479284559.db2.gz HPYKEXCQSFWQTO-INIZCTEOSA-N 1 3 338.517 2.555 40 0 EFABHO COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102906 479285207 /nfs/dbraw/zinc/28/52/07/479285207.db2.gz HPYKEXCQSFWQTO-MRXNPFEDSA-N 1 3 338.517 2.555 40 0 EFABHO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102906 479285214 /nfs/dbraw/zinc/28/52/14/479285214.db2.gz HPYKEXCQSFWQTO-MRXNPFEDSA-N 1 3 338.517 2.555 40 0 EFABHO