smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc([C@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CCO2)o1 ZINC000328740251 231326592 /nfs/dbraw/zinc/32/65/92/231326592.db2.gz LRDIBVVAGMDSKW-NWDGAFQWSA-N 1 1 315.364 2.831 10 0 DFAEMO CCc1nnc([C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CCO2)o1 ZINC000328740251 231326594 /nfs/dbraw/zinc/32/65/94/231326594.db2.gz LRDIBVVAGMDSKW-NWDGAFQWSA-N 1 1 315.364 2.831 10 0 DFAEMO C[C@H](C[N@@H+](C)CCc1ccccn1)[S@@](=O)Cc1ccccc1 ZINC000090502296 185299395 /nfs/dbraw/zinc/29/93/95/185299395.db2.gz POKVZSLDSLXKAA-OPAMFIHVSA-N 1 1 316.470 2.893 10 0 DFAEMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(C)cc1OC ZINC000003628573 181042881 /nfs/dbraw/zinc/04/28/81/181042881.db2.gz FERUQSPCONSSAR-LBPRGKRZSA-N 1 1 310.825 2.871 10 0 DFAEMO CCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000236932916 202079276 /nfs/dbraw/zinc/07/92/76/202079276.db2.gz UCLSUUHSIKPWNP-QMMMGPOBSA-N 1 1 321.602 2.874 10 0 DFAEMO OC1([C@H](C[NH+]2CCNCC2)c2cccc3ccccc32)CCC1 ZINC000136036635 398873383 /nfs/dbraw/zinc/87/33/83/398873383.db2.gz JPVRAQXTYGKFHO-LJQANCHMSA-N 1 1 310.441 2.744 10 0 DFAEMO CC(=O)c1ccc(O[C@@H]2CCCCO2)cc1N1CC[NH+](C)CC1 ZINC000149646209 398918362 /nfs/dbraw/zinc/91/83/62/398918362.db2.gz JDXHRJQJEUHVJQ-GOSISDBHSA-N 1 1 318.417 2.546 10 0 DFAEMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000020562526 182232523 /nfs/dbraw/zinc/23/25/23/182232523.db2.gz LOJDWIQGGKFXHG-LBPRGKRZSA-N 1 1 305.447 2.524 10 0 DFAEMO CN1CCC([N@H+]2CCC[C@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542629 182229295 /nfs/dbraw/zinc/22/92/95/182229295.db2.gz VZTRHOCXGFPNSM-KRWDZBQOSA-N 1 1 321.509 2.632 10 0 DFAEMO C[NH+]1CCC(N2CCC[C@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542629 182229298 /nfs/dbraw/zinc/22/92/98/182229298.db2.gz VZTRHOCXGFPNSM-KRWDZBQOSA-N 1 1 321.509 2.632 10 0 DFAEMO C[NH+]1CCN(CCC[C@H]2CCc3oc4ccncc4c3C2)CC1 ZINC000022922461 182341323 /nfs/dbraw/zinc/34/13/23/182341323.db2.gz BYYMYKMUJRQLQR-HNNXBMFYSA-N 1 1 313.445 2.960 10 0 DFAEMO CC[NH+]1CCN(C(=O)c2cc3c(cccc3Cl)n2C)CC1 ZINC000040788766 183133852 /nfs/dbraw/zinc/13/38/52/183133852.db2.gz RQGSEJYZLGEFEX-UHFFFAOYSA-N 1 1 305.809 2.609 10 0 DFAEMO CC(C)[N@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042955225 183322244 /nfs/dbraw/zinc/32/22/44/183322244.db2.gz BLWJDCKLWIQHSB-BXUZGUMPSA-N 1 1 315.255 2.540 10 0 DFAEMO CC(C)[N@@H+](CCO)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042955225 183322247 /nfs/dbraw/zinc/32/22/47/183322247.db2.gz BLWJDCKLWIQHSB-BXUZGUMPSA-N 1 1 315.255 2.540 10 0 DFAEMO Brc1ccc(NCC[N@@H+]2CCn3ccnc3C2)cc1 ZINC000062326748 184231158 /nfs/dbraw/zinc/23/11/58/184231158.db2.gz JHPDMIVEJPQVMS-UHFFFAOYSA-N 1 1 321.222 2.573 10 0 DFAEMO Brc1ccc(NCC[N@H+]2CCn3ccnc3C2)cc1 ZINC000062326748 184231159 /nfs/dbraw/zinc/23/11/59/184231159.db2.gz JHPDMIVEJPQVMS-UHFFFAOYSA-N 1 1 321.222 2.573 10 0 DFAEMO C[NH+](C)CCCNC(=O)c1cc2c(s1)CN(C1CCCC1)C2 ZINC000065238963 184317196 /nfs/dbraw/zinc/31/71/96/184317196.db2.gz HREJJWZJVFGWRT-UHFFFAOYSA-N 1 1 321.490 2.688 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1cccc(N)c1 ZINC000616610920 399489343 /nfs/dbraw/zinc/48/93/43/399489343.db2.gz ZVSUICJDIBHADG-HNNXBMFYSA-N 1 1 305.422 2.930 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](C(C)(C)C)C1 ZINC000616598850 399487634 /nfs/dbraw/zinc/48/76/34/399487634.db2.gz UCHQPHXZSJRDSE-ZDUSSCGKSA-N 1 1 300.443 2.506 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ccon2)CC1 ZINC000616601468 399488471 /nfs/dbraw/zinc/48/84/71/399488471.db2.gz PPLFDKURLRNEFQ-CYBMUJFWSA-N 1 1 309.410 2.769 10 0 DFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cnnc2ccccc21 ZINC000616601501 399488725 /nfs/dbraw/zinc/48/87/25/399488725.db2.gz HDTHCBHWWISGQN-OAHLLOKOSA-N 1 1 314.389 2.511 10 0 DFAEMO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CC[N@@H+](CCO)C1 ZINC000616613987 399490260 /nfs/dbraw/zinc/49/02/60/399490260.db2.gz YGLXILJBTXVJQK-ZDUSSCGKSA-N 1 1 306.406 2.815 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[N@@H+](CCO)C1 ZINC000616613771 399490336 /nfs/dbraw/zinc/49/03/36/399490336.db2.gz QBCGSWFEOIUNLQ-AWEZNQCLSA-N 1 1 320.433 2.840 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616628627 399491434 /nfs/dbraw/zinc/49/14/34/399491434.db2.gz OIIKUYUOPYNOAF-ZDUSSCGKSA-N 1 1 308.426 2.504 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2C[N@H+](C)CCN2)c1 ZINC000616632070 399492769 /nfs/dbraw/zinc/49/27/69/399492769.db2.gz KYAMXWSQIROCHB-OAHLLOKOSA-N 1 1 305.422 2.634 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2C[N@@H+](C)CCN2)c1 ZINC000616632070 399492774 /nfs/dbraw/zinc/49/27/74/399492774.db2.gz KYAMXWSQIROCHB-OAHLLOKOSA-N 1 1 305.422 2.634 10 0 DFAEMO NC(=O)c1cccc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616664699 399496672 /nfs/dbraw/zinc/49/66/72/399496672.db2.gz SSZVUGLLJWEEGM-SFHVURJKSA-N 1 1 310.397 2.749 10 0 DFAEMO Fc1cccc(CN2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524098 257119781 /nfs/dbraw/zinc/11/97/81/257119781.db2.gz MNBMJASGVQHPBW-YQVWRLOYSA-N 1 1 318.436 2.758 10 0 DFAEMO Cc1nc(CN2CC[C@@H]3CO[C@@H](C[N@@H+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720319 257207668 /nfs/dbraw/zinc/20/76/68/257207668.db2.gz SBUFHSUMCABGFK-PVAVHDDUSA-N 1 1 323.506 2.629 10 0 DFAEMO Cc1nc(CN2CC[C@@H]3CO[C@@H](C[N@H+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720319 257207670 /nfs/dbraw/zinc/20/76/70/257207670.db2.gz SBUFHSUMCABGFK-PVAVHDDUSA-N 1 1 323.506 2.629 10 0 DFAEMO Fc1cccnc1O[C@@H]1C[N@H+](Cc2ccco2)[C@@H]2CCCO[C@@H]12 ZINC000503716691 257209875 /nfs/dbraw/zinc/20/98/75/257209875.db2.gz NLYRETVMORCSJX-BZUAXINKSA-N 1 1 318.348 2.625 10 0 DFAEMO Fc1cccnc1O[C@@H]1C[N@@H+](Cc2ccco2)[C@@H]2CCCO[C@@H]12 ZINC000503716691 257209877 /nfs/dbraw/zinc/20/98/77/257209877.db2.gz NLYRETVMORCSJX-BZUAXINKSA-N 1 1 318.348 2.625 10 0 DFAEMO Fc1cccc(CN2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716642 257210031 /nfs/dbraw/zinc/21/00/31/257210031.db2.gz MNBMJASGVQHPBW-LNLFQRSKSA-N 1 1 318.436 2.758 10 0 DFAEMO Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000261785903 146276347 /nfs/dbraw/zinc/27/63/47/146276347.db2.gz FTZVPLQCWOOVCS-SFHVURJKSA-N 1 1 312.461 2.955 10 0 DFAEMO Cc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000261785903 146276348 /nfs/dbraw/zinc/27/63/48/146276348.db2.gz FTZVPLQCWOOVCS-SFHVURJKSA-N 1 1 312.461 2.955 10 0 DFAEMO C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4c(sc3n2)CCCC4)C1 ZINC000008427786 425668544 /nfs/dbraw/zinc/66/85/44/425668544.db2.gz WVYKJDJQHVTBTE-GFCCVEGCSA-N 1 1 317.458 2.867 10 0 DFAEMO COc1cccc(-c2n[nH]c3c2C[N@H+](C2CCOCC2)CC3)c1 ZINC000011935382 425715562 /nfs/dbraw/zinc/71/55/62/425715562.db2.gz YXNPTSRILOUARO-UHFFFAOYSA-N 1 1 313.401 2.622 10 0 DFAEMO CCOc1c(CC)cc(Cc2c[nH+]c(N)nc2N)cc1CC ZINC000027108196 425814873 /nfs/dbraw/zinc/81/48/73/425814873.db2.gz SQJSOPAMKIMPBC-UHFFFAOYSA-N 1 1 300.406 2.755 10 0 DFAEMO C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088797 426366006 /nfs/dbraw/zinc/36/60/06/426366006.db2.gz NSNDRDHPXCECJS-KGLIPLIRSA-N 1 1 320.437 2.869 10 0 DFAEMO C[C@H](c1cnccn1)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088797 426366010 /nfs/dbraw/zinc/36/60/10/426366010.db2.gz NSNDRDHPXCECJS-KGLIPLIRSA-N 1 1 320.437 2.869 10 0 DFAEMO CC(C)(C)OC(=O)N1CCC[C@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000253560676 427216817 /nfs/dbraw/zinc/21/68/17/427216817.db2.gz BBWLBNDXTFGBQC-JKSUJKDBSA-N 1 1 319.449 2.676 10 0 DFAEMO Cc1c[nH+]c(CCNC(=O)c2cccn2C)n1Cc1ccccc1 ZINC000575317226 430079110 /nfs/dbraw/zinc/07/91/10/430079110.db2.gz FGJAIIUPNOJBQD-UHFFFAOYSA-N 1 1 322.412 2.551 10 0 DFAEMO COc1ccc2c(c1O)-c1cccc3c1[C@H](C2)[N@@H+](CCO)CC3 ZINC000584640039 337379994 /nfs/dbraw/zinc/37/99/94/337379994.db2.gz GRWCJFDFWVUZSO-HNNXBMFYSA-N 1 1 311.381 2.515 10 0 DFAEMO C[C@H](c1nc(CC(=O)N2CCCCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328616178 231247359 /nfs/dbraw/zinc/24/73/59/231247359.db2.gz SFEMDUIXMJQVAQ-HZSPNIEDSA-N 1 1 320.437 2.558 10 0 DFAEMO OCC[N@@H+](CCc1ccccc1)C[C@H]1CCc2ccccc2N1 ZINC000005162338 398350636 /nfs/dbraw/zinc/35/06/36/398350636.db2.gz UJBYRIKOTLHOAX-LJQANCHMSA-N 1 1 310.441 2.950 10 0 DFAEMO OC[C@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000090728228 185311226 /nfs/dbraw/zinc/31/12/26/185311226.db2.gz WKEJMJWMMHPOOC-HXUWFJFHSA-N 1 1 310.441 2.755 10 0 DFAEMO OC[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000090728228 185311227 /nfs/dbraw/zinc/31/12/27/185311227.db2.gz WKEJMJWMMHPOOC-HXUWFJFHSA-N 1 1 310.441 2.755 10 0 DFAEMO OC[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000090728228 185311228 /nfs/dbraw/zinc/31/12/28/185311228.db2.gz WKEJMJWMMHPOOC-HXUWFJFHSA-N 1 1 310.441 2.755 10 0 DFAEMO CCC[C@H]1C[C@H]1Nc1[nH+]cc(I)n1C ZINC000306542348 398508654 /nfs/dbraw/zinc/50/86/54/398508654.db2.gz QQRAFYNFBUNPHB-JGVFFNPUSA-N 1 1 305.163 2.625 10 0 DFAEMO CC(C)[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000236790052 202009833 /nfs/dbraw/zinc/00/98/33/202009833.db2.gz FWJQXFQKOJTIQE-VIFPVBQESA-N 1 1 321.602 2.730 10 0 DFAEMO COc1ccc2c(c1O)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1C[C@@H](C)C(=O)C3 ZINC000079632707 399069483 /nfs/dbraw/zinc/06/94/83/399069483.db2.gz CHQACNHFEZBGIP-KTFSFXJSSA-N 1 1 315.413 2.514 10 0 DFAEMO Cc1noc2ccc(C[N@H+]3CCC[C@H](c4cc(=O)[nH]cn4)C3)cc12 ZINC000023144933 182351202 /nfs/dbraw/zinc/35/12/02/182351202.db2.gz GPQYDICCSNJVHY-AWEZNQCLSA-N 1 1 324.384 2.599 10 0 DFAEMO COc1ccc(CNc2[nH+]cnc(NC(C)(C)C)c2N)cc1 ZINC000040680509 183117183 /nfs/dbraw/zinc/11/71/83/183117183.db2.gz GOKBVLRPXVTTQX-UHFFFAOYSA-N 1 1 301.394 2.890 10 0 DFAEMO COc1ccc(CNc2nc[nH+]c(NC(C)(C)C)c2N)cc1 ZINC000040680509 183117184 /nfs/dbraw/zinc/11/71/84/183117184.db2.gz GOKBVLRPXVTTQX-UHFFFAOYSA-N 1 1 301.394 2.890 10 0 DFAEMO Nc1c(NCc2ccc(Cl)cc2)[nH+]cnc1N1CCCC1 ZINC000040724426 183124727 /nfs/dbraw/zinc/12/47/27/183124727.db2.gz CJDCKCDZSUNJSA-UHFFFAOYSA-N 1 1 303.797 2.925 10 0 DFAEMO OC[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000040896759 183147461 /nfs/dbraw/zinc/14/74/61/183147461.db2.gz WWYPEUUJEKQBLS-HXUWFJFHSA-N 1 1 310.441 2.755 10 0 DFAEMO OC[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000040896759 183147463 /nfs/dbraw/zinc/14/74/63/183147463.db2.gz WWYPEUUJEKQBLS-HXUWFJFHSA-N 1 1 310.441 2.755 10 0 DFAEMO OC[C@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000040896759 183147465 /nfs/dbraw/zinc/14/74/65/183147465.db2.gz WWYPEUUJEKQBLS-HXUWFJFHSA-N 1 1 310.441 2.755 10 0 DFAEMO CC(C)[N@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021710 183329725 /nfs/dbraw/zinc/32/97/25/183329725.db2.gz WQGMKOQESVDFGY-BXUZGUMPSA-N 1 1 315.255 2.540 10 0 DFAEMO CC(C)[N@@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021710 183329728 /nfs/dbraw/zinc/32/97/28/183329728.db2.gz WQGMKOQESVDFGY-BXUZGUMPSA-N 1 1 315.255 2.540 10 0 DFAEMO c1cc2c(ncnc2NCC[N@H+]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000065370440 184329539 /nfs/dbraw/zinc/32/95/39/184329539.db2.gz PILHEGIGZARFBQ-OAHLLOKOSA-N 1 1 307.401 2.859 10 0 DFAEMO COc1ccc2oc(C)c(C(=O)N3CC[NH+](C4CC4)CC3)c2c1 ZINC000065466416 184349968 /nfs/dbraw/zinc/34/99/68/184349968.db2.gz NTDBPOZNMUIZGM-UHFFFAOYSA-N 1 1 314.385 2.670 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2ccncn2)C1 ZINC000616603652 399488259 /nfs/dbraw/zinc/48/82/59/399488259.db2.gz SYUFNOZAVFVWAZ-AWEZNQCLSA-N 1 1 320.437 2.571 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2ncc[nH]2)CC1 ZINC000616629625 399491404 /nfs/dbraw/zinc/49/14/04/399491404.db2.gz SNIHBVCMZZFGJJ-ZDUSSCGKSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](C(C)(C)C)C1 ZINC000616664277 399495549 /nfs/dbraw/zinc/49/55/49/399495549.db2.gz UCHQPHXZSJRDSE-CYBMUJFWSA-N 1 1 300.443 2.506 10 0 DFAEMO CC(C)(C)OC(=O)NCC[C@H]1COCC[N@H+](C(C)(C)C)C1 ZINC000616662065 399495817 /nfs/dbraw/zinc/49/58/17/399495817.db2.gz ZXIDDHILMWBNMG-CYBMUJFWSA-N 1 1 300.443 2.648 10 0 DFAEMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](C(C)(C)C)CCO1 ZINC000616684191 399498312 /nfs/dbraw/zinc/49/83/12/399498312.db2.gz GHALMOWFLYQKCQ-CYBMUJFWSA-N 1 1 300.443 2.791 10 0 DFAEMO Fc1ccc(CN2CC[C@@]23CC[N@@H+](C[C@@H]2CCOC2)C3)cc1 ZINC000096090212 257133986 /nfs/dbraw/zinc/13/39/86/257133986.db2.gz PFABGBYGKRKTEH-FUHWJXTLSA-N 1 1 304.409 2.512 10 0 DFAEMO CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H]1Cc1cnn(C)c1 ZINC000503719141 257208480 /nfs/dbraw/zinc/20/84/80/257208480.db2.gz ZFVSPCWWIOQHOI-MSOLQXFVSA-N 1 1 317.408 2.781 10 0 DFAEMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261879785 146293524 /nfs/dbraw/zinc/29/35/24/146293524.db2.gz UNTQCYTZBRRXGG-AWEZNQCLSA-N 1 1 309.841 2.728 10 0 DFAEMO CC1(C)CN(CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000261879785 146293527 /nfs/dbraw/zinc/29/35/27/146293527.db2.gz UNTQCYTZBRRXGG-AWEZNQCLSA-N 1 1 309.841 2.728 10 0 DFAEMO Nc1nc(N)c(Cc2cccc(OCc3ccccc3)c2)c[nH+]1 ZINC000013532872 425754574 /nfs/dbraw/zinc/75/45/74/425754574.db2.gz PUMGLGGVAIIWCB-UHFFFAOYSA-N 1 1 306.369 2.811 10 0 DFAEMO COC1(c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)CCCC1 ZINC000333239588 268385018 /nfs/dbraw/zinc/38/50/18/268385018.db2.gz WEOVRZMKOYYGGG-CQSZACIVSA-N 1 1 321.421 2.801 10 0 DFAEMO COC1(c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)CCCC1 ZINC000333239588 268385019 /nfs/dbraw/zinc/38/50/19/268385019.db2.gz WEOVRZMKOYYGGG-CQSZACIVSA-N 1 1 321.421 2.801 10 0 DFAEMO C[N@@H+](Cc1cncs1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075363 426362900 /nfs/dbraw/zinc/36/29/00/426362900.db2.gz LKRPIAZKRSOFRM-GFCCVEGCSA-N 1 1 311.451 2.974 10 0 DFAEMO C[N@H+](Cc1cncs1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075363 426362902 /nfs/dbraw/zinc/36/29/02/426362902.db2.gz LKRPIAZKRSOFRM-GFCCVEGCSA-N 1 1 311.451 2.974 10 0 DFAEMO C[N@H+](Cc1ccncc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075508 426363401 /nfs/dbraw/zinc/36/34/01/426363401.db2.gz OMLUZXCRCASBKO-HNNXBMFYSA-N 1 1 305.422 2.770 10 0 DFAEMO CC(C)(C)C1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)CC1 ZINC000333626863 271381830 /nfs/dbraw/zinc/38/18/30/271381830.db2.gz VEMOCHWYGQPDKE-UHFFFAOYSA-N 1 1 319.497 2.966 10 0 DFAEMO CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)[O-] ZINC000390109469 598197318 /nfs/dbraw/zinc/19/73/18/598197318.db2.gz BTOBADLMSCNGCH-HQSKLWIPSA-N 1 1 316.445 2.881 10 0 DFAEMO [NH3+][C@@H](c1csc(I)c1)c1cscn1 ZINC000306683090 398509379 /nfs/dbraw/zinc/50/93/79/398509379.db2.gz URMOZZYONYWPAJ-QMMMGPOBSA-N 1 1 322.196 2.857 10 0 DFAEMO C[C@@H]1C[C@](CO)(NCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000307435602 398511655 /nfs/dbraw/zinc/51/16/55/398511655.db2.gz OFKIJLBYMFZQLL-XLIONFOSSA-N 1 1 310.441 2.802 10 0 DFAEMO C[C@@H]1C[C@](CO)(NCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000307435602 398511657 /nfs/dbraw/zinc/51/16/57/398511657.db2.gz OFKIJLBYMFZQLL-XLIONFOSSA-N 1 1 310.441 2.802 10 0 DFAEMO Cc1cc(-c2ccccc2)nnc1OCCC[NH+]1CCOCC1 ZINC000117003588 398763336 /nfs/dbraw/zinc/76/33/36/398763336.db2.gz IRZKJMJOPFDAIF-UHFFFAOYSA-N 1 1 313.401 2.553 10 0 DFAEMO CCOc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1Cl ZINC000090930771 192952551 /nfs/dbraw/zinc/95/25/51/192952551.db2.gz ZXNUSQQWCCIVRV-UHFFFAOYSA-N 1 1 311.794 2.906 10 0 DFAEMO O=C(C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)NCc1cccnc1 ZINC000606441959 399072185 /nfs/dbraw/zinc/07/21/85/399072185.db2.gz RPOGXOUOPVLDBJ-GDWUOILNSA-N 1 1 321.424 2.876 10 0 DFAEMO O=C(C[N@H+]1CCC[C@H]1/C=C\c1ccccc1)NCc1cccnc1 ZINC000606441959 399072190 /nfs/dbraw/zinc/07/21/90/399072190.db2.gz RPOGXOUOPVLDBJ-GDWUOILNSA-N 1 1 321.424 2.876 10 0 DFAEMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1N)Cc1ccccc1 ZINC000020566616 182233454 /nfs/dbraw/zinc/23/34/54/182233454.db2.gz OOZAVOKBROXAQH-UHFFFAOYSA-N 1 1 303.793 2.993 10 0 DFAEMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)Cc1ccccc1 ZINC000020566616 182233455 /nfs/dbraw/zinc/23/34/55/182233455.db2.gz OOZAVOKBROXAQH-UHFFFAOYSA-N 1 1 303.793 2.993 10 0 DFAEMO CCCc1ccc(OCCC[NH+]2CCN(C)CC2)c(OC)c1 ZINC000020652542 182241262 /nfs/dbraw/zinc/24/12/62/182241262.db2.gz FZDDXGSCLMZYJV-UHFFFAOYSA-N 1 1 306.450 2.664 10 0 DFAEMO Nc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1Cl ZINC000021512169 182276881 /nfs/dbraw/zinc/27/68/81/182276881.db2.gz MBXYIZJYBMFGMG-UHFFFAOYSA-N 1 1 302.809 2.639 10 0 DFAEMO COCCc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)[nH]1 ZINC000065286860 399241267 /nfs/dbraw/zinc/24/12/67/399241267.db2.gz ZGDDVGCVDYQNRZ-CYBMUJFWSA-N 1 1 320.462 2.743 10 0 DFAEMO C[NH+](C)CCCCn1c(N)nc2cc(Br)ccc21 ZINC000041678340 183216198 /nfs/dbraw/zinc/21/61/98/183216198.db2.gz SEVBMICUYXELBL-UHFFFAOYSA-N 1 1 311.227 2.723 10 0 DFAEMO CC[N@H+](Cc1c(N)cccc1Br)[C@@H](C)COC ZINC000042737923 183303592 /nfs/dbraw/zinc/30/35/92/183303592.db2.gz KQWAXKDLDNJCQB-JTQLQIEISA-N 1 1 301.228 2.888 10 0 DFAEMO CC[N@@H+](Cc1c(N)cccc1Br)[C@@H](C)COC ZINC000042737923 183303594 /nfs/dbraw/zinc/30/35/94/183303594.db2.gz KQWAXKDLDNJCQB-JTQLQIEISA-N 1 1 301.228 2.888 10 0 DFAEMO CCC[N@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021223 183330138 /nfs/dbraw/zinc/33/01/38/183330138.db2.gz HMZMDLOCKADANA-RISCZKNCSA-N 1 1 315.255 2.542 10 0 DFAEMO CCC[N@@H+](CCO)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021223 183330141 /nfs/dbraw/zinc/33/01/41/183330141.db2.gz HMZMDLOCKADANA-RISCZKNCSA-N 1 1 315.255 2.542 10 0 DFAEMO Cc1nnc(S[C@@H](C[NH3+])c2ccccc2Br)[nH]1 ZINC000043096507 183337347 /nfs/dbraw/zinc/33/73/47/183337347.db2.gz PTAQEPPTZVVFMG-JTQLQIEISA-N 1 1 313.224 2.668 10 0 DFAEMO Cc1n[nH]c(S[C@@H](C[NH3+])c2ccccc2Br)n1 ZINC000043096507 183337349 /nfs/dbraw/zinc/33/73/49/183337349.db2.gz PTAQEPPTZVVFMG-JTQLQIEISA-N 1 1 313.224 2.668 10 0 DFAEMO COCCc1nnc([C@H]2CCC[N@@H+](Cc3sccc3C)C2)[nH]1 ZINC000065286865 184321553 /nfs/dbraw/zinc/32/15/53/184321553.db2.gz XBAZDSLWEMYNPP-ZDUSSCGKSA-N 1 1 320.462 2.743 10 0 DFAEMO COCCc1nnc([C@@H]2CCC[N@@H+](Cc3sccc3C)C2)[nH]1 ZINC000065286866 184322063 /nfs/dbraw/zinc/32/20/63/184322063.db2.gz XBAZDSLWEMYNPP-CYBMUJFWSA-N 1 1 320.462 2.743 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2cocn2)CC1 ZINC000616600209 399488270 /nfs/dbraw/zinc/48/82/70/399488270.db2.gz ADTQEOHSPHPVOW-CYBMUJFWSA-N 1 1 309.410 2.769 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1cccc(CO)c1 ZINC000616607777 399489121 /nfs/dbraw/zinc/48/91/21/399489121.db2.gz MKTVSVOVTFVUNS-MRXNPFEDSA-N 1 1 320.433 2.841 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616627352 399491831 /nfs/dbraw/zinc/49/18/31/399491831.db2.gz JRDLKHHADILVQE-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)CC1 ZINC000616627352 399491833 /nfs/dbraw/zinc/49/18/33/399491833.db2.gz JRDLKHHADILVQE-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ccn[nH]2)CC1 ZINC000616627352 399491836 /nfs/dbraw/zinc/49/18/36/399491836.db2.gz JRDLKHHADILVQE-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1cccnc1N ZINC000616614424 399490130 /nfs/dbraw/zinc/49/01/30/399490130.db2.gz FKESXQQDEZYPCY-CQSZACIVSA-N 1 1 320.437 2.716 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1cccnc1N ZINC000616614424 399490133 /nfs/dbraw/zinc/49/01/33/399490133.db2.gz FKESXQQDEZYPCY-CQSZACIVSA-N 1 1 320.437 2.716 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CC[N@@H+](CCO)C2)c1 ZINC000616613519 399490275 /nfs/dbraw/zinc/49/02/75/399490275.db2.gz LANUQMXZDBCMLW-HNNXBMFYSA-N 1 1 320.433 2.840 10 0 DFAEMO NC(=O)c1cccc([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000616663580 399495966 /nfs/dbraw/zinc/49/59/66/399495966.db2.gz SSZVUGLLJWEEGM-GOSISDBHSA-N 1 1 310.397 2.749 10 0 DFAEMO CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H]1Cc1cnn(C)c1 ZINC000503719143 257208726 /nfs/dbraw/zinc/20/87/26/257208726.db2.gz ZFVSPCWWIOQHOI-ZWKOTPCHSA-N 1 1 317.408 2.781 10 0 DFAEMO Clc1cncc(OC[C@@H]2CO[C@H]3C[N@H+](C4CCC4)C[C@@H]32)c1 ZINC000503713037 257210553 /nfs/dbraw/zinc/21/05/53/257210553.db2.gz LNQVHYIRINVYRU-LYRGGWFBSA-N 1 1 308.809 2.613 10 0 DFAEMO CCN(CC)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000262066358 146329891 /nfs/dbraw/zinc/32/98/91/146329891.db2.gz SCLJMXGMNXELJB-DLBZAZTESA-N 1 1 317.477 2.655 10 0 DFAEMO C[C@H](c1nc([C@@H]2CN(C3CC3)CCO2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000333440970 271374037 /nfs/dbraw/zinc/37/40/37/271374037.db2.gz JTOTULJHVCXJCM-COMQUAJESA-N 1 1 320.437 2.539 10 0 DFAEMO C[C@H](c1nc([C@@H]2CN(C3CC3)CCO2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000333440970 271374042 /nfs/dbraw/zinc/37/40/42/271374042.db2.gz JTOTULJHVCXJCM-COMQUAJESA-N 1 1 320.437 2.539 10 0 DFAEMO c1cc(C[NH+]2CC(c3nc(Cc4cccnc4)no3)C2)cs1 ZINC000253409926 427204286 /nfs/dbraw/zinc/20/42/86/427204286.db2.gz MPNCUOFLKREBJD-UHFFFAOYSA-N 1 1 312.398 2.716 10 0 DFAEMO COC[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)[N@H+]1C ZINC000096215342 274045487 /nfs/dbraw/zinc/04/54/87/274045487.db2.gz CPABJNVKQMGYSL-INIZCTEOSA-N 1 1 306.425 2.901 10 0 DFAEMO C/C=C1/C[N@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@H]2CO ZINC000000897949 560179212 /nfs/dbraw/zinc/17/92/12/560179212.db2.gz PXFBZOLANLWPMH-QJTKBDRBSA-N 1 1 324.424 2.782 10 0 in-vitro DFAEMO C/C=C1/C[N@@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@H]2CO ZINC000000897949 560179214 /nfs/dbraw/zinc/17/92/14/560179214.db2.gz PXFBZOLANLWPMH-QJTKBDRBSA-N 1 1 324.424 2.782 10 0 in-vitro DFAEMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069457 605218505 /nfs/dbraw/zinc/21/85/05/605218505.db2.gz YPAKZMPNUQXWQF-NVXWUHKLSA-N 1 1 304.434 2.742 10 0 DFAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069457 605218506 /nfs/dbraw/zinc/21/85/06/605218506.db2.gz YPAKZMPNUQXWQF-NVXWUHKLSA-N 1 1 304.434 2.742 10 0 DFAEMO Cc1nnc([C@H]2CCCC[N@@H+]2CCc2ccc3c(c2)CCO3)[nH]1 ZINC000328700157 231313358 /nfs/dbraw/zinc/31/33/58/231313358.db2.gz VZCQVDIGDSXSHB-MRXNPFEDSA-N 1 1 312.417 2.818 10 0 DFAEMO Cc1nnc([C@H]2CCCC[N@H+]2CCc2ccc3c(c2)CCO3)[nH]1 ZINC000328700157 231313360 /nfs/dbraw/zinc/31/33/60/231313360.db2.gz VZCQVDIGDSXSHB-MRXNPFEDSA-N 1 1 312.417 2.818 10 0 DFAEMO NC(=O)c1ccc([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000140552613 398891408 /nfs/dbraw/zinc/89/14/08/398891408.db2.gz YWBQSONNDRXAOR-GOSISDBHSA-N 1 1 310.397 2.749 10 0 DFAEMO CCCC[N@@H+](C)CCCC(=O)Nc1cccc(C(N)=S)c1 ZINC000020009760 182176857 /nfs/dbraw/zinc/17/68/57/182176857.db2.gz JWBWVKYYUMZQIY-UHFFFAOYSA-N 1 1 307.463 2.771 10 0 DFAEMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C(N)=S)cc1 ZINC000020562524 182232412 /nfs/dbraw/zinc/23/24/12/182232412.db2.gz LOJDWIQGGKFXHG-GFCCVEGCSA-N 1 1 305.447 2.524 10 0 DFAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1C(N)=S ZINC000020546023 182228984 /nfs/dbraw/zinc/22/89/84/182228984.db2.gz XTXWPYRZYRHOOW-TXEJJXNPSA-N 1 1 305.447 2.522 10 0 DFAEMO CC(C)[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000020545575 182229348 /nfs/dbraw/zinc/22/93/48/182229348.db2.gz ZOXAIHWUEAGXEW-VIFPVBQESA-N 1 1 303.328 2.955 10 0 DFAEMO [NH3+]Cc1noc(-c2nn(Cc3ccccc3)c3ccccc32)n1 ZINC000040395696 183060862 /nfs/dbraw/zinc/06/08/62/183060862.db2.gz VUXLKOATKUTQHW-UHFFFAOYSA-N 1 1 305.341 2.593 10 0 DFAEMO CC(C)(C)N1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000042308604 183252295 /nfs/dbraw/zinc/25/22/95/183252295.db2.gz WVWURZYOVDHNJJ-NSHDSACASA-N 1 1 301.887 2.817 10 0 DFAEMO C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1Br)C(N)=S ZINC000042457793 183272910 /nfs/dbraw/zinc/27/29/10/183272910.db2.gz FMIXAMGNDSYFFO-QMMMGPOBSA-N 1 1 319.243 2.942 10 0 DFAEMO CCC[N@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042954336 183321802 /nfs/dbraw/zinc/32/18/02/183321802.db2.gz WIESZZICJPFQRW-RISCZKNCSA-N 1 1 315.255 2.542 10 0 DFAEMO CCC[N@@H+](CCO)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042954336 183321805 /nfs/dbraw/zinc/32/18/05/183321805.db2.gz WIESZZICJPFQRW-RISCZKNCSA-N 1 1 315.255 2.542 10 0 DFAEMO O[C@]1(Cc2ccc(F)c(Br)c2)CC[N@H+](C2CC2)C1 ZINC000061988092 184199491 /nfs/dbraw/zinc/19/94/91/184199491.db2.gz OKQWXUQKALPSLQ-AWEZNQCLSA-N 1 1 314.198 2.730 10 0 DFAEMO Cc1cc(C)c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)[nH]1 ZINC000261925473 291796910 /nfs/dbraw/zinc/79/69/10/291796910.db2.gz IZDGXAMSSWFGFJ-OAHLLOKOSA-N 1 1 301.365 2.557 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2cnco2)C1 ZINC000616600618 399488424 /nfs/dbraw/zinc/48/84/24/399488424.db2.gz ADOOSEJPKQEQFP-ZDUSSCGKSA-N 1 1 309.410 2.769 10 0 DFAEMO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cnnc2ccccc21 ZINC000616603847 399488778 /nfs/dbraw/zinc/48/87/78/399488778.db2.gz HDTHCBHWWISGQN-HNNXBMFYSA-N 1 1 314.389 2.511 10 0 DFAEMO O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1c1cnc[nH]1 ZINC000616625672 399490823 /nfs/dbraw/zinc/49/08/23/399490823.db2.gz VCWWNRFMXIZXDM-OAHLLOKOSA-N 1 1 305.403 2.716 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1c1ccnnc1 ZINC000616623867 399490834 /nfs/dbraw/zinc/49/08/34/399490834.db2.gz NDRRSEKUPVGVKW-HNNXBMFYSA-N 1 1 320.437 2.918 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2cnco2)CC1 ZINC000616627716 399491387 /nfs/dbraw/zinc/49/13/87/399491387.db2.gz JREBRBLMFYARDT-ZDUSSCGKSA-N 1 1 309.410 2.769 10 0 DFAEMO CC[N@@H+]1CCN[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616632510 399492547 /nfs/dbraw/zinc/49/25/47/399492547.db2.gz KKYJHHJNPOLIPK-HNNXBMFYSA-N 1 1 305.422 3.000 10 0 DFAEMO CC[N@H+]1CCN[C@H](c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000616632510 399492549 /nfs/dbraw/zinc/49/25/49/399492549.db2.gz KKYJHHJNPOLIPK-HNNXBMFYSA-N 1 1 305.422 3.000 10 0 DFAEMO c1ccc(C[N@H+]2CCN[C@@H](c3cnnc4ccccc43)C2)cc1 ZINC000616633130 399492728 /nfs/dbraw/zinc/49/27/28/399492728.db2.gz KNCPBNYTGDAJOK-LJQANCHMSA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(CN2CC[NH2+][C@@H](c3cnnc4ccccc43)C2)cc1 ZINC000616633130 399492733 /nfs/dbraw/zinc/49/27/33/399492733.db2.gz KNCPBNYTGDAJOK-LJQANCHMSA-N 1 1 304.397 2.776 10 0 DFAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc3ccnnc32)C1 ZINC000616632809 399493095 /nfs/dbraw/zinc/49/30/95/399493095.db2.gz WUGYTBFMSWSGQX-AWEZNQCLSA-N 1 1 314.389 2.511 10 0 DFAEMO CN(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000503717376 257209288 /nfs/dbraw/zinc/20/92/88/257209288.db2.gz NERCKCDXFUBVSD-OALUTQOASA-N 1 1 313.420 2.968 10 0 DFAEMO CN(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000503717376 257209289 /nfs/dbraw/zinc/20/92/89/257209289.db2.gz NERCKCDXFUBVSD-OALUTQOASA-N 1 1 313.420 2.968 10 0 DFAEMO CC[C@H](C)c1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000225169418 146003421 /nfs/dbraw/zinc/00/34/21/146003421.db2.gz 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CC[N@H+]1CCN[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616631893 399493034 /nfs/dbraw/zinc/49/30/34/399493034.db2.gz IESZRQRVGNVTFE-OAHLLOKOSA-N 1 1 305.422 3.000 10 0 DFAEMO CCN1CC[NH2+][C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616631893 399493038 /nfs/dbraw/zinc/49/30/38/399493038.db2.gz IESZRQRVGNVTFE-OAHLLOKOSA-N 1 1 305.422 3.000 10 0 DFAEMO CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616636079 399493508 /nfs/dbraw/zinc/49/35/08/399493508.db2.gz JTFDBYIWSIFVSF-OAHLLOKOSA-N 1 1 319.405 2.526 10 0 DFAEMO CCC[N@@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000000084258 542415703 /nfs/dbraw/zinc/41/57/03/542415703.db2.gz FQNRHDOCDDVKOR-MRXNPFEDSA-N 1 1 300.402 2.749 10 0 DFAEMO Fc1ccc(C[N@H+]2CC[C@@H]3C[C@H](c4ccncn4)O[C@H]3C2)cc1 ZINC000247513210 257119809 /nfs/dbraw/zinc/11/98/09/257119809.db2.gz IYGIOWSTBDHQIN-OLMNPRSZSA-N 1 1 313.376 2.968 10 0 DFAEMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3C[NH+](C)C(C)C)C2)n1 ZINC000503717727 257208112 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CC(C)(CC(F)F)c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000333740930 271387644 /nfs/dbraw/zinc/38/76/44/271387644.db2.gz XPJCQWPKCVRKAZ-NXEZZACHSA-N 1 1 301.337 2.538 10 0 DFAEMO COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@@H+](CCO)CC3 ZINC000584640040 337379986 /nfs/dbraw/zinc/37/99/86/337379986.db2.gz GRWCJFDFWVUZSO-OAHLLOKOSA-N 1 1 311.381 2.515 10 0 DFAEMO Brc1ccccc1[C@@H]1N=C(C[NH+]2CCCCC2)ON1 ZINC000584651724 337380975 /nfs/dbraw/zinc/38/09/75/337380975.db2.gz YLRBHVUMAXWOFD-CQSZACIVSA-N 1 1 324.222 2.867 10 0 DFAEMO CCN(CC)C(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000039569537 581095512 /nfs/dbraw/zinc/09/55/12/581095512.db2.gz VAYOSLLFUXYJDT-KBXCAEBGSA-N 1 1 323.440 2.906 10 0 in-vitro DFAEMO CCN(CC)C(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@H+](C)C1 ZINC000071754993 581095523 /nfs/dbraw/zinc/09/55/23/581095523.db2.gz VAYOSLLFUXYJDT-KSSFIOAISA-N 1 1 323.440 2.906 10 0 in-man DFAEMO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379609394 605112165 /nfs/dbraw/zinc/11/21/65/605112165.db2.gz GZNIANCQUIEQHI-HOCLYGCPSA-N 1 1 304.434 2.740 10 0 DFAEMO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379609394 605112168 /nfs/dbraw/zinc/11/21/68/605112168.db2.gz GZNIANCQUIEQHI-HOCLYGCPSA-N 1 1 304.434 2.740 10 0 DFAEMO Cc1cc2[nH]c(C[N@@H+]3CC[C@H]4[C@@H](C3)NC(=O)N4C)cc2c(C)c1 ZINC000328951120 231397359 /nfs/dbraw/zinc/39/73/59/231397359.db2.gz NNTFKDJYKSKNIC-SJORKVTESA-N 1 1 312.417 2.587 10 0 DFAEMO CCOC(=O)c1c2c(sc1NC(=O)CC)C[N@@H+](CC)CC2 ZINC000004223414 181086405 /nfs/dbraw/zinc/08/64/05/181086405.db2.gz LOKUJLSZZYBVIS-UHFFFAOYSA-N 1 1 310.419 2.651 10 0 DFAEMO CCOC(=O)c1c2c(sc1NC(=O)CC)C[N@H+](CC)CC2 ZINC000004223414 181086408 /nfs/dbraw/zinc/08/64/08/181086408.db2.gz LOKUJLSZZYBVIS-UHFFFAOYSA-N 1 1 310.419 2.651 10 0 DFAEMO C[N@H+](CC(=O)N1CCCc2c(N)cccc21)Cc1ccccc1 ZINC000237044019 202132976 /nfs/dbraw/zinc/13/29/76/202132976.db2.gz MHCOARKXWMKVKL-UHFFFAOYSA-N 1 1 309.413 2.680 10 0 DFAEMO C[N@@H+](CC(=O)N1CCCc2c(N)cccc21)Cc1ccccc1 ZINC000237044019 202132979 /nfs/dbraw/zinc/13/29/79/202132979.db2.gz MHCOARKXWMKVKL-UHFFFAOYSA-N 1 1 309.413 2.680 10 0 DFAEMO O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000606441925 399071671 /nfs/dbraw/zinc/07/16/71/399071671.db2.gz OKTRIMSAMADNPG-MGSINWNPSA-N 1 1 305.443 2.599 10 0 DFAEMO CCN1CCN([C@H](C[NH3+])c2ccc(Cl)c(Cl)c2)CC1 ZINC000019861952 182157748 /nfs/dbraw/zinc/15/77/48/182157748.db2.gz MDOVOHLHEYZRET-CQSZACIVSA-N 1 1 302.249 2.631 10 0 DFAEMO Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000020032962 182182204 /nfs/dbraw/zinc/18/22/04/182182204.db2.gz DYZHOLZBNGSNDT-JTQLQIEISA-N 1 1 315.236 2.667 10 0 DFAEMO C[C@H](C(=O)Nc1nc2ccc(N)cc2s1)[NH+]1CCCCC1 ZINC000020561114 182232121 /nfs/dbraw/zinc/23/21/21/182232121.db2.gz HOFARKWNVQGOBI-SNVBAGLBSA-N 1 1 304.419 2.691 10 0 DFAEMO CC(C)[N@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020601132 182236324 /nfs/dbraw/zinc/23/63/24/182236324.db2.gz CJZHIHOOFIDSNU-SFHVURJKSA-N 1 1 313.445 2.512 10 0 DFAEMO CC(C)N1CC[N@H+](Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020601132 182236326 /nfs/dbraw/zinc/23/63/26/182236326.db2.gz CJZHIHOOFIDSNU-SFHVURJKSA-N 1 1 313.445 2.512 10 0 DFAEMO CC(C)N1CC[N@@H+](Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020601132 182236328 /nfs/dbraw/zinc/23/63/28/182236328.db2.gz CJZHIHOOFIDSNU-SFHVURJKSA-N 1 1 313.445 2.512 10 0 DFAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C(N)=S)cc1 ZINC000021516103 182277197 /nfs/dbraw/zinc/27/71/97/182277197.db2.gz ICROLLSUDFPIFQ-TXEJJXNPSA-N 1 1 305.447 2.522 10 0 DFAEMO COCCCNc1[nH+]cnc(N(CC(C)C)CC(C)C)c1N ZINC000040735567 183126050 /nfs/dbraw/zinc/12/60/50/183126050.db2.gz XFXXMCWFHHBKBU-UHFFFAOYSA-N 1 1 309.458 2.626 10 0 DFAEMO COCCCNc1nc[nH+]c(N(CC(C)C)CC(C)C)c1N ZINC000040735567 183126052 /nfs/dbraw/zinc/12/60/52/183126052.db2.gz XFXXMCWFHHBKBU-UHFFFAOYSA-N 1 1 309.458 2.626 10 0 DFAEMO CCOc1ccccc1[C@H]([NH3+])CS(=O)(=O)c1ccccc1 ZINC000041533105 183199256 /nfs/dbraw/zinc/19/92/56/183199256.db2.gz MFACZSAGDFQELC-OAHLLOKOSA-N 1 1 305.399 2.559 10 0 DFAEMO COCCC[N@@H+](C)CC[C@@H](O)c1ccccc1Br ZINC000062035808 184202738 /nfs/dbraw/zinc/20/27/38/184202738.db2.gz CHMVIPFMTJTFMB-CQSZACIVSA-N 1 1 316.239 2.841 10 0 DFAEMO COCCC[N@@H+](C)CCNc1cccc(Br)c1 ZINC000062036985 184202759 /nfs/dbraw/zinc/20/27/59/184202759.db2.gz PYCJLPJDPBFBGO-UHFFFAOYSA-N 1 1 301.228 2.829 10 0 DFAEMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccncc3F)C2)C1 ZINC000063527340 184285087 /nfs/dbraw/zinc/28/50/87/184285087.db2.gz CBQAQGFBAIHWPQ-GOSISDBHSA-N 1 1 321.440 2.544 10 0 DFAEMO CC(=O)Nc1ccc([C@H]2c3ccccc3CC[N@@H+]2CCO)cc1 ZINC000616584688 399486986 /nfs/dbraw/zinc/48/69/86/399486986.db2.gz LMPBDBGUZMXPOR-IBGZPJMESA-N 1 1 310.397 2.585 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC000616591921 399487689 /nfs/dbraw/zinc/48/76/89/399487689.db2.gz ASNBCYMQCVBINM-ZDUSSCGKSA-N 1 1 300.443 2.648 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1cccc(N)c1 ZINC000616608695 399489689 /nfs/dbraw/zinc/48/96/89/399489689.db2.gz ZVSUICJDIBHADG-OAHLLOKOSA-N 1 1 305.422 2.930 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CC[C@H](c2cccc(N)c2)C1 ZINC000616611583 399489091 /nfs/dbraw/zinc/48/90/91/399489091.db2.gz GNHQQVPFTHSCGF-AWEZNQCLSA-N 1 1 305.422 2.583 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616629652 399491638 /nfs/dbraw/zinc/49/16/38/399491638.db2.gz OZGNAOOAXIGANI-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2cccnn2)CC1 ZINC000616629756 399491700 /nfs/dbraw/zinc/49/17/00/399491700.db2.gz UMFMFBDXCJZUAN-AWEZNQCLSA-N 1 1 320.437 2.571 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2ccon2)C1 ZINC000616627124 399491775 /nfs/dbraw/zinc/49/17/75/399491775.db2.gz HGFZALDONPWTSP-ZDUSSCGKSA-N 1 1 309.410 2.769 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1cncnc1 ZINC000616616116 399489851 /nfs/dbraw/zinc/48/98/51/399489851.db2.gz HTMWBEFHVALLRN-AWEZNQCLSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1cncnc1 ZINC000616616116 399489854 /nfs/dbraw/zinc/48/98/54/399489854.db2.gz HTMWBEFHVALLRN-AWEZNQCLSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000616619170 399490105 /nfs/dbraw/zinc/49/01/05/399490105.db2.gz AZHYHBJMQOJINB-OAHLLOKOSA-N 1 1 305.422 2.786 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ccccc2N)C1 ZINC000616621222 399490213 /nfs/dbraw/zinc/49/02/13/399490213.db2.gz QGBRKUBXRNRJQK-CQSZACIVSA-N 1 1 319.449 2.973 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000616621947 399490684 /nfs/dbraw/zinc/49/06/84/399490684.db2.gz WEKAWOCXJVESPX-AWEZNQCLSA-N 1 1 305.422 2.786 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2ncco2)C1 ZINC000616630509 399493079 /nfs/dbraw/zinc/49/30/79/399493079.db2.gz ZAOUTTDIBQDRCL-ZDUSSCGKSA-N 1 1 309.410 2.769 10 0 DFAEMO CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1NC(=O)OC(C)(C)C ZINC000616638779 399493452 /nfs/dbraw/zinc/49/34/52/399493452.db2.gz JTFDBYIWSIFVSF-HNNXBMFYSA-N 1 1 319.405 2.526 10 0 DFAEMO OCC[N@H+]1CCc2ccccc2[C@H]1c1ccc2ccnnc2c1 ZINC000616679430 399497901 /nfs/dbraw/zinc/49/79/01/399497901.db2.gz SNMFKEHEELIRNI-LJQANCHMSA-N 1 1 305.381 2.570 10 0 DFAEMO CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000248240535 257107335 /nfs/dbraw/zinc/10/73/35/257107335.db2.gz BHSQQNRNUQVUSQ-BBWFWOEESA-N 1 1 315.413 2.952 10 0 DFAEMO CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000248240535 257107336 /nfs/dbraw/zinc/10/73/36/257107336.db2.gz BHSQQNRNUQVUSQ-BBWFWOEESA-N 1 1 315.413 2.952 10 0 DFAEMO Fc1ccccc1OC[C@@H]1CO[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21 ZINC000247507448 257118881 /nfs/dbraw/zinc/11/88/81/257118881.db2.gz HHVARPQZHBIVEP-XUWXXGDYSA-N 1 1 317.360 2.945 10 0 DFAEMO Clc1cncc(OC[C@@H]2CO[C@H]3C[N@H+](C4CCC4)C[C@H]32)c1 ZINC000253491201 257105598 /nfs/dbraw/zinc/10/55/98/257105598.db2.gz LNQVHYIRINVYRU-RLCCDNCMSA-N 1 1 308.809 2.613 10 0 DFAEMO FC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCOCC3)[C@H]2C1 ZINC000503718762 257208982 /nfs/dbraw/zinc/20/89/82/257208982.db2.gz VWLBORCRMBSXQK-QLFBSQMISA-N 1 1 320.399 2.619 10 0 DFAEMO FC(F)(F)CC[N@@H+]1C[C@@H]2CCC[C@H](CN3CCOCC3)[C@H]2C1 ZINC000503718762 257208984 /nfs/dbraw/zinc/20/89/84/257208984.db2.gz VWLBORCRMBSXQK-QLFBSQMISA-N 1 1 320.399 2.619 10 0 DFAEMO FC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@H](CN3CCOCC3)[C@H]2C1 ZINC000503718762 257208985 /nfs/dbraw/zinc/20/89/85/257208985.db2.gz VWLBORCRMBSXQK-QLFBSQMISA-N 1 1 320.399 2.619 10 0 DFAEMO Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000261785891 146276418 /nfs/dbraw/zinc/27/64/18/146276418.db2.gz FTZVPLQCWOOVCS-GOSISDBHSA-N 1 1 312.461 2.955 10 0 DFAEMO Cc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c(-c2cnn(C)c2)c1 ZINC000261785891 146276421 /nfs/dbraw/zinc/27/64/21/146276421.db2.gz FTZVPLQCWOOVCS-GOSISDBHSA-N 1 1 312.461 2.955 10 0 DFAEMO c1ccc2c(c1)C[N@H+](CCCN1CCOCC1)CC21CCC1 ZINC000352372653 286356529 /nfs/dbraw/zinc/35/65/29/286356529.db2.gz VGPXHOYDUZAZAV-UHFFFAOYSA-N 1 1 300.446 2.646 10 0 DFAEMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714544 /nfs/dbraw/zinc/71/45/44/425714544.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 1 1 306.450 2.831 10 0 DFAEMO COCCN1CCC[C@@]2(CC[N@H+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714546 /nfs/dbraw/zinc/71/45/46/425714546.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 1 1 306.450 2.831 10 0 DFAEMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714549 /nfs/dbraw/zinc/71/45/49/425714549.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 1 1 306.450 2.831 10 0 DFAEMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3Cn3cccc32)CC1 ZINC000027523973 425817539 /nfs/dbraw/zinc/81/75/39/425817539.db2.gz BVHLGMWLCGQTJM-UHFFFAOYSA-N 1 1 314.820 2.829 10 0 DFAEMO CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000089196916 426282644 /nfs/dbraw/zinc/28/26/44/426282644.db2.gz JBQHEFBCQMPXDY-OAHLLOKOSA-N 1 1 300.406 2.557 10 0 DFAEMO Cc1c[nH+]c(C[C@@H]2CCN(C(=O)c3cccnc3)C2)n1C(C)C ZINC000257186894 427307039 /nfs/dbraw/zinc/30/70/39/427307039.db2.gz KWZRZBOJADWHFF-HNNXBMFYSA-N 1 1 312.417 2.872 10 0 DFAEMO O=c1[nH]c(-c2ccccc2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000095933075 275042295 /nfs/dbraw/zinc/04/22/95/275042295.db2.gz FJKHLUACTPOPNA-UHFFFAOYSA-N 1 1 317.392 2.995 10 0 DFAEMO O=c1[nH]c(-c2ccccc2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000095933075 275042296 /nfs/dbraw/zinc/04/22/96/275042296.db2.gz FJKHLUACTPOPNA-UHFFFAOYSA-N 1 1 317.392 2.995 10 0 DFAEMO COc1cccc([C@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)c1OC ZINC000095752225 295327886 /nfs/dbraw/zinc/32/78/86/295327886.db2.gz MDYSNLCINXRXEJ-CYBMUJFWSA-N 1 1 322.405 2.585 10 0 DFAEMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000095553163 185379560 /nfs/dbraw/zinc/37/95/60/185379560.db2.gz AMEZAJPSLZEMQP-IBGZPJMESA-N 1 1 308.425 2.787 10 0 DFAEMO CS(=O)(=O)OCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035034062 398549532 /nfs/dbraw/zinc/54/95/32/398549532.db2.gz YMVQMNLQQOZBLF-UHFFFAOYSA-N 1 1 314.794 2.666 10 0 DFAEMO c1ccc(CN2CC[NH+](Cc3ccc4c(c3)CCN4)CC2)cc1 ZINC000071663706 191000827 /nfs/dbraw/zinc/00/08/27/191000827.db2.gz BDYALRNPBPHZKB-UHFFFAOYSA-N 1 1 307.441 2.972 10 0 DFAEMO Cc1cccc2nc(CCC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])[nH]c21 ZINC000237345552 202240440 /nfs/dbraw/zinc/24/04/40/202240440.db2.gz LHSDCIXEYODTBO-HIFRSBDPSA-N 1 1 314.433 2.532 10 0 DFAEMO C[NH+]1CCN(Cc2cccc(-c3ccn4ccnc4c3)c2)CC1 ZINC000139870949 398886761 /nfs/dbraw/zinc/88/67/61/398886761.db2.gz DPXKWJRFFFMQIE-UHFFFAOYSA-N 1 1 306.413 2.749 10 0 DFAEMO CCN1CCN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)CC1 ZINC000019861958 182157942 /nfs/dbraw/zinc/15/79/42/182157942.db2.gz DNGYIAYLCQSALM-ZDUSSCGKSA-N 1 1 302.249 2.631 10 0 DFAEMO Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CSC[NH2+]1 ZINC000020032965 182182256 /nfs/dbraw/zinc/18/22/56/182182256.db2.gz DYZHOLZBNGSNDT-SNVBAGLBSA-N 1 1 315.236 2.667 10 0 DFAEMO Fc1ccc(CN[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000020070784 182184991 /nfs/dbraw/zinc/18/49/91/182184991.db2.gz AYNKDUHPZVRRKS-CQSZACIVSA-N 1 1 313.214 2.772 10 0 DFAEMO C[NH+]1CCN(CCC[C@@H]2CCc3oc4ccncc4c3C2)CC1 ZINC000022922457 182341529 /nfs/dbraw/zinc/34/15/29/182341529.db2.gz BYYMYKMUJRQLQR-OAHLLOKOSA-N 1 1 313.445 2.960 10 0 DFAEMO [NH3+]Cc1noc(-c2c3ccccc3nn2Cc2ccccc2)n1 ZINC000040394793 183060543 /nfs/dbraw/zinc/06/05/43/183060543.db2.gz WAKOOJIYVSJBBE-UHFFFAOYSA-N 1 1 305.341 2.593 10 0 DFAEMO CCN(CC)c1nc[nH+]c(NCc2ccc(OC)cc2)c1N ZINC000040723183 183124284 /nfs/dbraw/zinc/12/42/84/183124284.db2.gz QJNXRBUARUYYQK-UHFFFAOYSA-N 1 1 301.394 2.526 10 0 DFAEMO Nc1cccc(Br)c1C[N@@H+](CCO)C1CCCC1 ZINC000042483835 183276049 /nfs/dbraw/zinc/27/60/49/183276049.db2.gz TUOMRHBPKBATQE-UHFFFAOYSA-N 1 1 313.239 2.768 10 0 DFAEMO CC[N@H+](CCOC)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000042493866 183277223 /nfs/dbraw/zinc/27/72/23/183277223.db2.gz XKUCFKFXXSSQML-LLVKDONJSA-N 1 1 314.223 2.989 10 0 DFAEMO CC[N@@H+](CCOC)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000042493866 183277225 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NC(=O)c1ccccc1[C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616595516 399487881 /nfs/dbraw/zinc/48/78/81/399487881.db2.gz WPBOFLUKVSJHPQ-GOSISDBHSA-N 1 1 310.397 2.749 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616626595 399491629 /nfs/dbraw/zinc/49/16/29/399491629.db2.gz ARVWKLDHWJZPOZ-CQSZACIVSA-N 1 1 320.437 2.571 10 0 DFAEMO c1ccc(C[N@H+]2CCN[C@@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616633342 399492485 /nfs/dbraw/zinc/49/24/85/399492485.db2.gz QUSWSTTZRMESMI-LJQANCHMSA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(CN2CC[NH2+][C@@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616633342 399492490 /nfs/dbraw/zinc/49/24/90/399492490.db2.gz QUSWSTTZRMESMI-LJQANCHMSA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(C[N@H+]2CCN[C@@H](c3ccc4ccnnc4c3)C2)cc1 ZINC000616633052 399492576 /nfs/dbraw/zinc/49/25/76/399492576.db2.gz GUCLDWZUNCOFSC-LJQANCHMSA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(CN2CC[NH2+][C@@H](c3ccc4ccnnc4c3)C2)cc1 ZINC000616633052 399492580 /nfs/dbraw/zinc/49/25/80/399492580.db2.gz GUCLDWZUNCOFSC-LJQANCHMSA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(C[N@H+]2CCN[C@H](c3cccc4ccnnc43)C2)cc1 ZINC000616632509 399492951 /nfs/dbraw/zinc/49/29/51/399492951.db2.gz QCZCYQRRNHKMAG-SFHVURJKSA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(CN2CC[NH2+][C@H](c3cccc4ccnnc43)C2)cc1 ZINC000616632509 399492955 /nfs/dbraw/zinc/49/29/55/399492955.db2.gz QCZCYQRRNHKMAG-SFHVURJKSA-N 1 1 304.397 2.776 10 0 DFAEMO CC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000616637614 399493430 /nfs/dbraw/zinc/49/34/30/399493430.db2.gz XKYYVPPOQAWILR-OAHLLOKOSA-N 1 1 319.405 2.526 10 0 DFAEMO CC(C)(C)OC(=O)NC[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616664074 399495560 /nfs/dbraw/zinc/49/55/60/399495560.db2.gz SORAFNQPNVPYRO-MRXNPFEDSA-N 1 1 320.433 2.660 10 0 DFAEMO OCC[N@H+]1CCc2ccccc2[C@@H]1c1cc2ccccc2nn1 ZINC000616678760 399497539 /nfs/dbraw/zinc/49/75/39/399497539.db2.gz LRAJPBMMTVGNLP-LJQANCHMSA-N 1 1 305.381 2.570 10 0 DFAEMO FC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@@H](C[NH+]3CCOCC3)[C@@H]2C1 ZINC000503718761 257209110 /nfs/dbraw/zinc/20/91/10/257209110.db2.gz VWLBORCRMBSXQK-KKUMJFAQSA-N 1 1 320.399 2.619 10 0 DFAEMO FC(F)(F)CC[N@@H+]1C[C@@H]2CCC[C@@H](CN3CCOCC3)[C@@H]2C1 ZINC000503718761 257209111 /nfs/dbraw/zinc/20/91/11/257209111.db2.gz VWLBORCRMBSXQK-KKUMJFAQSA-N 1 1 320.399 2.619 10 0 DFAEMO FC(F)(F)CC[N@H+]1C[C@@H]2CCC[C@@H](CN3CCOCC3)[C@@H]2C1 ZINC000503718761 257209113 /nfs/dbraw/zinc/20/91/13/257209113.db2.gz VWLBORCRMBSXQK-KKUMJFAQSA-N 1 1 320.399 2.619 10 0 DFAEMO Fc1ccc(C[N@H+]2CC[C@@H]3C[C@H](c4ccncn4)O[C@@H]3C2)cc1 ZINC000503716863 257210025 /nfs/dbraw/zinc/21/00/25/257210025.db2.gz IYGIOWSTBDHQIN-ZTFGCOKTSA-N 1 1 313.376 2.968 10 0 DFAEMO Cc1cn2cc(NS(=O)(=O)Cc3ccc(C)cc3)ccc2[nH+]1 ZINC000074859631 145193484 /nfs/dbraw/zinc/19/34/84/145193484.db2.gz KWOPVOYOYAUDSV-UHFFFAOYSA-N 1 1 315.398 2.893 10 0 DFAEMO COc1ccc(CCNC(=O)C[N@H+](C)Cc2cccs2)cc1 ZINC000015299333 425781226 /nfs/dbraw/zinc/78/12/26/425781226.db2.gz VZAXJBQHQRAGBP-UHFFFAOYSA-N 1 1 318.442 2.547 10 0 DFAEMO COc1ccc(CCNC(=O)C[N@@H+](C)Cc2cccs2)cc1 ZINC000015299333 425781230 /nfs/dbraw/zinc/78/12/30/425781230.db2.gz VZAXJBQHQRAGBP-UHFFFAOYSA-N 1 1 318.442 2.547 10 0 DFAEMO Cc1cnc(-c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)s1 ZINC000333053227 268371852 /nfs/dbraw/zinc/37/18/52/268371852.db2.gz CLUYWLKXSRKKJJ-GFCCVEGCSA-N 1 1 320.418 2.817 10 0 DFAEMO C[C@@H]1CC[C@H](NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)C1 ZINC000333301607 268390668 /nfs/dbraw/zinc/39/06/68/268390668.db2.gz HQPOQNOHZQUDCT-HIFRSBDPSA-N 1 1 304.438 2.573 10 0 DFAEMO C[N@@H+](Cc1cncs1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075364 426363412 /nfs/dbraw/zinc/36/34/12/426363412.db2.gz LKRPIAZKRSOFRM-LBPRGKRZSA-N 1 1 311.451 2.974 10 0 DFAEMO C[N@H+](Cc1cncs1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075364 426363414 /nfs/dbraw/zinc/36/34/14/426363414.db2.gz LKRPIAZKRSOFRM-LBPRGKRZSA-N 1 1 311.451 2.974 10 0 DFAEMO [NH3+][C@H]1c2cc(Br)ccc2N(Cc2ccccc2)C1=O ZINC000100236540 426481351 /nfs/dbraw/zinc/48/13/51/426481351.db2.gz JTQDYCDRJBPFDY-AWEZNQCLSA-N 1 1 317.186 2.996 10 0 DFAEMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248376 426481355 /nfs/dbraw/zinc/48/13/55/426481355.db2.gz YEEXDHUQFNLAAR-KBPBESRZSA-N 1 1 305.422 2.989 10 0 DFAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)CSc1ccc(F)cc1)C2 ZINC000100243962 426481586 /nfs/dbraw/zinc/48/15/86/426481586.db2.gz HFTXOHSHEMJHBB-ZSOGYDGISA-N 1 1 308.422 2.659 10 0 DFAEMO COc1ccc(C(=O)[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000584605308 337371481 /nfs/dbraw/zinc/37/14/81/337371481.db2.gz LLCHKWVLLALLPM-SJORKVTESA-N 1 1 303.402 2.769 10 0 DFAEMO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000381880182 597667209 /nfs/dbraw/zinc/66/72/09/597667209.db2.gz ADTOUCGDVFOJPS-UAGQMJEPSA-N 1 1 304.434 2.596 10 0 DFAEMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069461 605218440 /nfs/dbraw/zinc/21/84/40/605218440.db2.gz YPAKZMPNUQXWQF-RDJZCZTQSA-N 1 1 304.434 2.742 10 0 DFAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069461 605218441 /nfs/dbraw/zinc/21/84/41/605218441.db2.gz YPAKZMPNUQXWQF-RDJZCZTQSA-N 1 1 304.434 2.742 10 0 DFAEMO OCC[N@@H+](CCc1ccccc1)C[C@@H]1CCc2ccccc2N1 ZINC000005162337 398350594 /nfs/dbraw/zinc/35/05/94/398350594.db2.gz UJBYRIKOTLHOAX-IBGZPJMESA-N 1 1 310.441 2.950 10 0 DFAEMO Cc1ccc(C)c(C[NH+]2CCN(CC(=O)c3ccco3)CC2)c1 ZINC000044440916 398643760 /nfs/dbraw/zinc/64/37/60/398643760.db2.gz BBFVAANYEHWAFW-UHFFFAOYSA-N 1 1 312.413 2.897 10 0 DFAEMO COC(C[NH2+]CC(=O)Nc1ccc(C2CCCCC2)cc1)OC ZINC000145627792 398908347 /nfs/dbraw/zinc/90/83/47/398908347.db2.gz LREKVIGPZXTMFX-UHFFFAOYSA-N 1 1 320.433 2.881 10 0 DFAEMO CC(=O)c1ccc(O[C@H]2CCCCO2)cc1N1CC[NH+](C)CC1 ZINC000149646411 398918390 /nfs/dbraw/zinc/91/83/90/398918390.db2.gz JDXHRJQJEUHVJQ-SFHVURJKSA-N 1 1 318.417 2.546 10 0 DFAEMO CCc1cccc(CC)c1OC(=O)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000019367341 182119837 /nfs/dbraw/zinc/11/98/37/182119837.db2.gz DJTFAQDJOUDTIZ-QGZVFWFLSA-N 1 1 318.461 2.743 10 0 DFAEMO CC[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(O)cc2C)C1=O ZINC000019766880 182144561 /nfs/dbraw/zinc/14/45/61/182144561.db2.gz KLJZHWDAROROEG-XJKSGUPXSA-N 1 1 316.401 2.597 10 0 DFAEMO CCN1CCN([C@@H](C[NH3+])c2ccc(Cl)c(Cl)c2)CC1 ZINC000019861950 182157734 /nfs/dbraw/zinc/15/77/34/182157734.db2.gz MDOVOHLHEYZRET-AWEZNQCLSA-N 1 1 302.249 2.631 10 0 DFAEMO CCN1CCN([C@H](C[NH3+])c2c(Cl)cccc2Cl)CC1 ZINC000019861960 182157983 /nfs/dbraw/zinc/15/79/83/182157983.db2.gz DNGYIAYLCQSALM-CYBMUJFWSA-N 1 1 302.249 2.631 10 0 DFAEMO O=C(C[NH2+]Cc1ccccn1)Nc1ccccc1Br ZINC000020054037 182184331 /nfs/dbraw/zinc/18/43/31/182184331.db2.gz APTDXGHBFPCPOX-UHFFFAOYSA-N 1 1 320.190 2.572 10 0 DFAEMO Cc1c(N)cccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020194408 182196124 /nfs/dbraw/zinc/19/61/24/182196124.db2.gz AAUVDCYCCWCLOZ-UHFFFAOYSA-N 1 1 309.413 2.535 10 0 DFAEMO CS(=O)(=O)c1cccc([C@@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000020375149 182212770 /nfs/dbraw/zinc/21/27/70/182212770.db2.gz HJSIOUYWUVETFN-GFCCVEGCSA-N 1 1 301.820 2.853 10 0 DFAEMO COCC[N@@H+](Cc1ccc(Br)cc1)[C@@H](C)COC ZINC000042266291 183248404 /nfs/dbraw/zinc/24/84/04/183248404.db2.gz FURHSTVGNXMHII-LBPRGKRZSA-N 1 1 316.239 2.932 10 0 DFAEMO C[C@H](C[N@@H+](C)Cc1ccc(F)cc1Br)C(N)=S ZINC000042457795 183273129 /nfs/dbraw/zinc/27/31/29/183273129.db2.gz FMIXAMGNDSYFFO-MRVPVSSYSA-N 1 1 319.243 2.942 10 0 DFAEMO CC[N@@H+](Cc1ccc(N)cc1Br)[C@@H](C)COC ZINC000042738118 183303839 /nfs/dbraw/zinc/30/38/39/183303839.db2.gz GOPDWIKSCQJKCX-JTQLQIEISA-N 1 1 301.228 2.888 10 0 DFAEMO CCC[N@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021221 183329676 /nfs/dbraw/zinc/32/96/76/183329676.db2.gz HMZMDLOCKADANA-BXUZGUMPSA-N 1 1 315.255 2.542 10 0 DFAEMO CCC[N@@H+](CCO)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021221 183329678 /nfs/dbraw/zinc/32/96/78/183329678.db2.gz HMZMDLOCKADANA-BXUZGUMPSA-N 1 1 315.255 2.542 10 0 DFAEMO COc1cc([C@H]([NH3+])c2nc(C)c(C)s2)cc(OC)c1OC ZINC000058432255 184117702 /nfs/dbraw/zinc/11/77/02/184117702.db2.gz RQRYSCAPIIMKCU-ZDUSSCGKSA-N 1 1 308.403 2.834 10 0 DFAEMO NC(=O)c1ccc([C@@H]2CCOCC[N@H+]2Cc2ccccc2)cc1 ZINC000616598297 399487769 /nfs/dbraw/zinc/48/77/69/399487769.db2.gz OKHZJFJXUJFYGV-SFHVURJKSA-N 1 1 310.397 2.749 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1cccnc1N ZINC000616615907 399490329 /nfs/dbraw/zinc/49/03/29/399490329.db2.gz FKESXQQDEZYPCY-AWEZNQCLSA-N 1 1 320.437 2.716 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1cccnc1N ZINC000616615907 399490331 /nfs/dbraw/zinc/49/03/31/399490331.db2.gz FKESXQQDEZYPCY-AWEZNQCLSA-N 1 1 320.437 2.716 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1c1cn[nH]c1 ZINC000616625045 399490805 /nfs/dbraw/zinc/49/08/05/399490805.db2.gz KLUYOPIGBZJETM-AWEZNQCLSA-N 1 1 308.426 2.852 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000616621721 399490905 /nfs/dbraw/zinc/49/09/05/399490905.db2.gz WTKYPFCTAPPTFH-OAHLLOKOSA-N 1 1 319.449 2.973 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@@H]1c1cnno1 ZINC000616625248 399491046 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Fc1cccc(C[N@H+]2C[C@@H]3CCN(c4cnccn4)C[C@@H]3C2)c1 ZINC000247509201 257118904 /nfs/dbraw/zinc/11/89/04/257118904.db2.gz HVTIOBJMPARZLD-HOTGVXAUSA-N 1 1 312.392 2.574 10 0 DFAEMO Fc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)cc1 ZINC000247530424 257119316 /nfs/dbraw/zinc/11/93/16/257119316.db2.gz OPGBJZWOIWJPRJ-RBUKOAKNSA-N 1 1 318.436 2.901 10 0 DFAEMO Fc1ccccc1N1C[C@@H]2CC[N@H+](CCN3CCCC3)C[C@H]2C1 ZINC000503719070 257209053 /nfs/dbraw/zinc/20/90/53/257209053.db2.gz XGWHVUJGEPVENI-IRXDYDNUSA-N 1 1 317.452 2.680 10 0 DFAEMO Fc1ccccc1N1C[C@@H]2CC[N@@H+](CCN3CCCC3)C[C@H]2C1 ZINC000503719070 257209055 /nfs/dbraw/zinc/20/90/55/257209055.db2.gz XGWHVUJGEPVENI-IRXDYDNUSA-N 1 1 317.452 2.680 10 0 DFAEMO Cc1cccc2nc(CCc3nc(C4([NH3+])CCCC4)no3)[nH]c21 ZINC000261806230 146280047 /nfs/dbraw/zinc/28/00/47/146280047.db2.gz PNSDHRUXSCBBAY-UHFFFAOYSA-N 1 1 311.389 2.768 10 0 DFAEMO CC[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)CCO1 ZINC000329339927 287282766 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/nfs/dbraw/zinc/19/67/78/598196778.db2.gz MCDQHNZPQYOOJX-OIISXLGYSA-N 1 1 304.434 2.738 10 0 DFAEMO CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC000379616651 598196779 /nfs/dbraw/zinc/19/67/79/598196779.db2.gz MCDQHNZPQYOOJX-OIISXLGYSA-N 1 1 304.434 2.738 10 0 DFAEMO C[C@@]12CC[N@@H+](CCc3ccccc3)[C@@H](Cc3ccc(O)cc31)[C@@H]2O ZINC000169342272 197744273 /nfs/dbraw/zinc/74/42/73/197744273.db2.gz YUAHAGSEWDCJSA-PCCBWWKXSA-N 1 1 323.436 2.884 10 0 DFAEMO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035517127 398551306 /nfs/dbraw/zinc/55/13/06/398551306.db2.gz XYWFRRVCYHZYOT-CYBMUJFWSA-N 1 1 309.325 2.708 10 0 DFAEMO O=C(NC[C@H]1C[N@@H+](Cc2ccc[nH]2)CC12CCCCC2)C1CC1 ZINC000409421384 398696401 /nfs/dbraw/zinc/69/64/01/398696401.db2.gz YHXSWGSUGJUJJO-INIZCTEOSA-N 1 1 315.461 2.923 10 0 DFAEMO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccc(C2CCCCC2)cc1 ZINC000145651999 398908408 /nfs/dbraw/zinc/90/84/08/398908408.db2.gz YVPWMAQIJQRJKB-QGZVFWFLSA-N 1 1 302.418 2.739 10 0 DFAEMO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccc(C2CCCCC2)cc1 ZINC000145651999 398908411 /nfs/dbraw/zinc/90/84/11/398908411.db2.gz YVPWMAQIJQRJKB-QGZVFWFLSA-N 1 1 302.418 2.739 10 0 DFAEMO Cc1cccc2nc(CCC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])[nH]c21 ZINC000237533111 202273028 /nfs/dbraw/zinc/27/30/28/202273028.db2.gz LHSDCIXEYODTBO-DZGCQCFKSA-N 1 1 314.433 2.532 10 0 DFAEMO C[N@@H+](CCOc1ccc(Br)cc1)CC1CC(O)C1 ZINC000091460676 193059821 /nfs/dbraw/zinc/05/98/21/193059821.db2.gz IDNNVHICLIQOHE-UHFFFAOYSA-N 1 1 314.223 2.531 10 0 DFAEMO CN(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096061733 193513371 /nfs/dbraw/zinc/51/33/71/193513371.db2.gz NERCKCDXFUBVSD-MOPGFXCFSA-N 1 1 313.420 2.968 10 0 DFAEMO CN(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096061733 193513372 /nfs/dbraw/zinc/51/33/72/193513372.db2.gz NERCKCDXFUBVSD-MOPGFXCFSA-N 1 1 313.420 2.968 10 0 DFAEMO CC[NH+](CC)Cc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000020161401 182194017 /nfs/dbraw/zinc/19/40/17/182194017.db2.gz BFRDARYDGUKYIL-UHFFFAOYSA-N 1 1 305.447 2.716 10 0 DFAEMO Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1C(F)(F)F ZINC000020545153 182229017 /nfs/dbraw/zinc/22/90/17/182229017.db2.gz FRFMCYVUAYLFER-UHFFFAOYSA-N 1 1 301.312 2.712 10 0 DFAEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C(N)=S)c1 ZINC000021794744 182289696 /nfs/dbraw/zinc/28/96/96/182289696.db2.gz AFUSPCWXEXBJEJ-TXEJJXNPSA-N 1 1 305.447 2.522 10 0 DFAEMO CC[N@H+](CC(=O)c1ccc(Br)cc1)[C@@H](C)COC ZINC000042774792 183307603 /nfs/dbraw/zinc/30/76/03/183307603.db2.gz UYSIYMYSPPZTHH-NSHDSACASA-N 1 1 314.223 2.989 10 0 DFAEMO CC[N@@H+](CC(=O)c1ccc(Br)cc1)[C@@H](C)COC ZINC000042774792 183307607 /nfs/dbraw/zinc/30/76/07/183307607.db2.gz UYSIYMYSPPZTHH-NSHDSACASA-N 1 1 314.223 2.989 10 0 DFAEMO COCC[N@H+]1CCCC12CCN(Cc1cccc(F)c1)CC2 ZINC000063527227 184284741 /nfs/dbraw/zinc/28/47/41/184284741.db2.gz KPSRJAJZBPYFAN-UHFFFAOYSA-N 1 1 306.425 2.903 10 0 DFAEMO Fc1ccc(C[N@@H+]2CC[C@@]23CCN(Cc2csnn2)C3)cc1 ZINC000063528414 184284962 /nfs/dbraw/zinc/28/49/62/184284962.db2.gz XWTOFXIWSZRPHR-MRXNPFEDSA-N 1 1 318.421 2.528 10 0 DFAEMO Fc1ccc(C[N@H+]2CC[C@@]23CCN(Cc2csnn2)C3)cc1 ZINC000063528414 184284963 /nfs/dbraw/zinc/28/49/63/184284963.db2.gz XWTOFXIWSZRPHR-MRXNPFEDSA-N 1 1 318.421 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2ccno2)C1 ZINC000616601556 399488650 /nfs/dbraw/zinc/48/86/50/399488650.db2.gz IDXHVGDOKZXXEM-ZDUSSCGKSA-N 1 1 309.410 2.769 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1ccccc1N ZINC000616608363 399489055 /nfs/dbraw/zinc/48/90/55/399489055.db2.gz RFCAKOBQYPXGCN-OAHLLOKOSA-N 1 1 305.422 2.930 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ncc[nH]2)CC1 ZINC000616629154 399491672 /nfs/dbraw/zinc/49/16/72/399491672.db2.gz SNIHBVCMZZFGJJ-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@@H]1c1c[nH]cn1 ZINC000616625349 399490758 /nfs/dbraw/zinc/49/07/58/399490758.db2.gz ZLNPNADDCQHRNK-CQSZACIVSA-N 1 1 308.426 2.852 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@@H]1c1c[nH]cn1 ZINC000616625349 399490761 /nfs/dbraw/zinc/49/07/61/399490761.db2.gz ZLNPNADDCQHRNK-CQSZACIVSA-N 1 1 308.426 2.852 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616630627 399492914 /nfs/dbraw/zinc/49/29/14/399492914.db2.gz RNXVHAUSFFCSRW-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(=O)Nc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CCO)c1 ZINC000616678147 399497417 /nfs/dbraw/zinc/49/74/17/399497417.db2.gz DRMOUEMKLBQDCS-LJQANCHMSA-N 1 1 310.397 2.585 10 0 DFAEMO CC(C)[NH+](C)C[C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716185 257209952 /nfs/dbraw/zinc/20/99/52/257209952.db2.gz DTNQTCQGPOCXDI-NJAFHUGGSA-N 1 1 306.425 2.755 10 0 DFAEMO CC(C)[N@H+](C)C[C@@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716185 257209953 /nfs/dbraw/zinc/20/99/53/257209953.db2.gz DTNQTCQGPOCXDI-NJAFHUGGSA-N 1 1 306.425 2.755 10 0 DFAEMO CC(C)[N@@H+](C)C[C@@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716185 257209954 /nfs/dbraw/zinc/20/99/54/257209954.db2.gz DTNQTCQGPOCXDI-NJAFHUGGSA-N 1 1 306.425 2.755 10 0 DFAEMO CC1(C)CN(CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261702217 146262112 /nfs/dbraw/zinc/26/21/12/146262112.db2.gz OGXWGCWSTVWLFV-AWEZNQCLSA-N 1 1 309.841 2.728 10 0 DFAEMO Cc1ccc(-c2cc(C(=O)N3CC[C@H]([NH3+])C(C)(C)C3)n[nH]2)cc1 ZINC000261811649 146282125 /nfs/dbraw/zinc/28/21/25/146282125.db2.gz HKWFJVOHRUQDBU-INIZCTEOSA-N 1 1 312.417 2.585 10 0 DFAEMO CC(C)c1noc([C@@]23CCC[C@@H]2CN(C[C@]2(C)CC[NH2+]C2)C3)n1 ZINC000261961669 146309746 /nfs/dbraw/zinc/30/97/46/146309746.db2.gz HHWZFLYHYQOWNB-ZTFGCOKTSA-N 1 1 318.465 2.546 10 0 DFAEMO Nc1ncc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000262125310 146336767 /nfs/dbraw/zinc/33/67/67/146336767.db2.gz XQFKXHHHSKTDDM-PWSUYJOCSA-N 1 1 309.460 2.875 10 0 DFAEMO Cc1cccc2nc(CCC(=O)N[C@](C)(C[NH3+])CC(C)C)[nH]c21 ZINC000262629842 146378835 /nfs/dbraw/zinc/37/88/35/146378835.db2.gz NFRJJVOFPYVXNF-SFHVURJKSA-N 1 1 316.449 2.684 10 0 DFAEMO CC(C)(CC(F)F)c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000333740932 271387632 /nfs/dbraw/zinc/38/76/32/271387632.db2.gz XPJCQWPKCVRKAZ-VHSXEESVSA-N 1 1 301.337 2.538 10 0 DFAEMO CC(C)(CC(F)F)c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000333740932 271387635 /nfs/dbraw/zinc/38/76/35/271387635.db2.gz XPJCQWPKCVRKAZ-VHSXEESVSA-N 1 1 301.337 2.538 10 0 DFAEMO CC(C)Oc1cc(N2CC[C@@]3(CCC[N@H+]3C)C2)ccc1NC=O ZINC000584656029 337377991 /nfs/dbraw/zinc/37/79/91/337377991.db2.gz YBWMJICFMFMAQP-SFHVURJKSA-N 1 1 317.433 2.717 10 0 DFAEMO C[C@@H](CC(=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390210706 598163274 /nfs/dbraw/zinc/16/32/74/598163274.db2.gz XLGBEUWTDJJFGQ-LNRIEFBSSA-N 1 1 302.418 2.635 10 0 DFAEMO CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379616653 598196788 /nfs/dbraw/zinc/19/67/88/598196788.db2.gz MCDQHNZPQYOOJX-UAGQMJEPSA-N 1 1 304.434 2.738 10 0 DFAEMO CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379616653 598196789 /nfs/dbraw/zinc/19/67/89/598196789.db2.gz MCDQHNZPQYOOJX-UAGQMJEPSA-N 1 1 304.434 2.738 10 0 DFAEMO CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379616654 598196803 /nfs/dbraw/zinc/19/68/03/598196803.db2.gz MCDQHNZPQYOOJX-XIRDDKMYSA-N 1 1 304.434 2.738 10 0 DFAEMO CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC000379616654 598196804 /nfs/dbraw/zinc/19/68/04/598196804.db2.gz MCDQHNZPQYOOJX-XIRDDKMYSA-N 1 1 304.434 2.738 10 0 DFAEMO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000379609391 605111680 /nfs/dbraw/zinc/11/16/80/605111680.db2.gz GZNIANCQUIEQHI-GDBMZVCRSA-N 1 1 304.434 2.740 10 0 DFAEMO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379609391 605111683 /nfs/dbraw/zinc/11/16/83/605111683.db2.gz GZNIANCQUIEQHI-GDBMZVCRSA-N 1 1 304.434 2.740 10 0 DFAEMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069464 605218294 /nfs/dbraw/zinc/21/82/94/605218294.db2.gz 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1 1 319.405 2.526 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@@H](C(C)(C)C)C1 ZINC000616655397 399495210 /nfs/dbraw/zinc/49/52/10/399495210.db2.gz YNUNKFPNVIHWMG-CYBMUJFWSA-N 1 1 300.443 2.648 10 0 DFAEMO OCC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2ccnnc2c1 ZINC000616679282 399497582 /nfs/dbraw/zinc/49/75/82/399497582.db2.gz SNMFKEHEELIRNI-IBGZPJMESA-N 1 1 305.381 2.570 10 0 DFAEMO CN(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@@H]1Cc1ccncc1 ZINC000503717377 257209728 /nfs/dbraw/zinc/20/97/28/257209728.db2.gz NERCKCDXFUBVSD-RBUKOAKNSA-N 1 1 313.420 2.968 10 0 DFAEMO CN(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H]1Cc1ccncc1 ZINC000503717377 257209729 /nfs/dbraw/zinc/20/97/29/257209729.db2.gz NERCKCDXFUBVSD-RBUKOAKNSA-N 1 1 313.420 2.968 10 0 DFAEMO Fc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cc1 ZINC000503716862 257209778 /nfs/dbraw/zinc/20/97/78/257209778.db2.gz IYGIOWSTBDHQIN-FHLIZLRMSA-N 1 1 313.376 2.968 10 0 DFAEMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000072339883 285399261 /nfs/dbraw/zinc/39/92/61/285399261.db2.gz LCRCDCWYPNGDRJ-UHFFFAOYSA-N 1 1 318.380 2.803 10 0 DFAEMO C[C@@H]([NH2+]Cc1cscc1Br)C(=O)N1CCCC1 ZINC000352867267 286488873 /nfs/dbraw/zinc/48/88/73/286488873.db2.gz OYRLQKFHVDMRKY-SECBINFHSA-N 1 1 317.252 2.611 10 0 DFAEMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000071241883 425982923 /nfs/dbraw/zinc/98/29/23/425982923.db2.gz NSQCPDZVTYYOAN-LLVKDONJSA-N 1 1 305.296 2.797 10 0 DFAEMO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)c1ccco1 ZINC000095086517 426364130 /nfs/dbraw/zinc/36/41/30/426364130.db2.gz SJJRKMLWJRWIGU-ZDUSSCGKSA-N 1 1 322.405 2.842 10 0 DFAEMO OCc1cccc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)c1 ZINC000584595779 337374074 /nfs/dbraw/zinc/37/40/74/337374074.db2.gz RWJFKLOQGPREPX-UHFFFAOYSA-N 1 1 309.369 2.559 10 0 DFAEMO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069454 605218248 /nfs/dbraw/zinc/21/82/48/605218248.db2.gz YPAKZMPNUQXWQF-DOTOQJQBSA-N 1 1 304.434 2.742 10 0 DFAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000398069454 605218254 /nfs/dbraw/zinc/21/82/54/605218254.db2.gz YPAKZMPNUQXWQF-DOTOQJQBSA-N 1 1 304.434 2.742 10 0 DFAEMO Nc1cnc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000236385424 398361931 /nfs/dbraw/zinc/36/19/31/398361931.db2.gz QYFWZCHKMCNLNC-UHFFFAOYSA-N 1 1 302.809 2.639 10 0 DFAEMO Cc1ncsc1OCC[NH+]1CCN(c2ccccc2)CC1 ZINC000068297707 190759044 /nfs/dbraw/zinc/75/90/44/190759044.db2.gz GAHWMIUURICYHA-UHFFFAOYSA-N 1 1 303.431 2.653 10 0 DFAEMO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000073696335 191342931 /nfs/dbraw/zinc/34/29/31/191342931.db2.gz XGTSOQJTXUBYRQ-UHFFFAOYSA-N 1 1 318.380 2.803 10 0 DFAEMO COc1ccccc1C(=O)N[C@@H]1CCC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000005699808 181274125 /nfs/dbraw/zinc/27/41/25/181274125.db2.gz PSCUSBHTWIZHDR-VNQPRFMTSA-N 1 1 302.418 2.545 10 0 DFAEMO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000236921638 202071411 /nfs/dbraw/zinc/07/14/11/202071411.db2.gz AZIHKQVFXQABBC-WRWORJQWSA-N 1 1 314.311 2.894 10 0 DFAEMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC1CC(O)C1 ZINC000091490686 193064544 /nfs/dbraw/zinc/06/45/44/193064544.db2.gz PRKDDNMAQQYLLN-UHFFFAOYSA-N 1 1 317.216 2.635 10 0 DFAEMO O=C(/C=C/c1ccco1)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618255947 399053873 /nfs/dbraw/zinc/05/38/73/399053873.db2.gz ATBPJKKRIVLJGQ-XGACYXMMSA-N 1 1 302.399 2.745 10 0 DFAEMO CSc1ccc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000019535687 182129203 /nfs/dbraw/zinc/12/92/03/182129203.db2.gz LURDDPWDQJWNFF-INIZCTEOSA-N 1 1 308.491 2.686 10 0 DFAEMO CC(C)C[N@H+]1CCN(CCCc2ccccc2)[C@@H](CCO)C1 ZINC000019953100 182169435 /nfs/dbraw/zinc/16/94/35/182169435.db2.gz OYEZWFOHYRLRTC-IBGZPJMESA-N 1 1 304.478 2.644 10 0 DFAEMO CC(C)CN1CC[N@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000019953100 182169437 /nfs/dbraw/zinc/16/94/37/182169437.db2.gz OYEZWFOHYRLRTC-IBGZPJMESA-N 1 1 304.478 2.644 10 0 DFAEMO CC(C)CN1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000019953100 182169439 /nfs/dbraw/zinc/16/94/39/182169439.db2.gz OYEZWFOHYRLRTC-IBGZPJMESA-N 1 1 304.478 2.644 10 0 DFAEMO Fc1ccc(Br)c(CN[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000020070711 182185145 /nfs/dbraw/zinc/18/51/45/182185145.db2.gz OMDGKWBRVYZPTQ-CQSZACIVSA-N 1 1 313.214 2.772 10 0 DFAEMO CCc1[nH+]ccn1CC(=O)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000023505835 182362604 /nfs/dbraw/zinc/36/26/04/182362604.db2.gz XHUDPZGRXIXSNN-AWEZNQCLSA-N 1 1 313.405 2.637 10 0 DFAEMO Nc1c(NCc2ccccc2Cl)[nH+]cnc1N1CCCC1 ZINC000040724568 183124515 /nfs/dbraw/zinc/12/45/15/183124515.db2.gz YEFGDRLJAUWQGM-UHFFFAOYSA-N 1 1 303.797 2.925 10 0 DFAEMO CC[N@H+](CC(=O)NC(C)C)Cc1ccc(Br)cc1 ZINC000042976586 183325232 /nfs/dbraw/zinc/32/52/32/183325232.db2.gz JNNANOBWCMUYKT-UHFFFAOYSA-N 1 1 313.239 2.796 10 0 DFAEMO CC[N@@H+](CC(=O)NC(C)C)Cc1ccc(Br)cc1 ZINC000042976586 183325234 /nfs/dbraw/zinc/32/52/34/183325234.db2.gz JNNANOBWCMUYKT-UHFFFAOYSA-N 1 1 313.239 2.796 10 0 DFAEMO C[C@@H](O)c1ccc(N2CCC[N@@H+](C)CC2)c(Br)c1 ZINC000061695052 184183548 /nfs/dbraw/zinc/18/35/48/184183548.db2.gz DPFGXXXYFBSDHB-LLVKDONJSA-N 1 1 313.239 2.644 10 0 DFAEMO C[N@@H+](CCNCc1ccc(Br)cc1F)C1CC1 ZINC000061993917 184200719 /nfs/dbraw/zinc/20/07/19/184200719.db2.gz NCUJLBQYGWOYPB-UHFFFAOYSA-N 1 1 301.203 2.772 10 0 DFAEMO CN(CC[NH2+]Cc1ccc(Br)cc1F)C1CC1 ZINC000061993917 184200720 /nfs/dbraw/zinc/20/07/20/184200720.db2.gz NCUJLBQYGWOYPB-UHFFFAOYSA-N 1 1 301.203 2.772 10 0 DFAEMO CC(=O)Nc1ccccc1[C@@H]1c2ccccc2CC[N@@H+]1CCO ZINC000616584622 399487319 /nfs/dbraw/zinc/48/73/19/399487319.db2.gz LHTYPADOACJDJF-IBGZPJMESA-N 1 1 310.397 2.585 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616600664 399488664 /nfs/dbraw/zinc/48/86/64/399488664.db2.gz BJLZOJSASSQHJI-HNNXBMFYSA-N 1 1 320.437 2.571 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2c[nH]cn2)C1 ZINC000616629814 399491738 /nfs/dbraw/zinc/49/17/38/399491738.db2.gz QNBYFZWTCLXYIK-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1cncnc1 ZINC000616614664 399490169 /nfs/dbraw/zinc/49/01/69/399490169.db2.gz HTMWBEFHVALLRN-CQSZACIVSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1cncnc1 ZINC000616614664 399490172 /nfs/dbraw/zinc/49/01/72/399490172.db2.gz HTMWBEFHVALLRN-CQSZACIVSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](OC(F)(F)F)C1 ZINC000616620039 399490351 /nfs/dbraw/zinc/49/03/51/399490351.db2.gz FAVGQWGRAFRFDD-SNVBAGLBSA-N 1 1 312.332 2.512 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](OC(F)(F)F)C1 ZINC000616620039 399490354 /nfs/dbraw/zinc/49/03/54/399490354.db2.gz FAVGQWGRAFRFDD-SNVBAGLBSA-N 1 1 312.332 2.512 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1C[N@H+](C)CCN1 ZINC000616632764 399492350 /nfs/dbraw/zinc/49/23/50/399492350.db2.gz PLOGIQHIXUWBGA-AWEZNQCLSA-N 1 1 305.422 2.634 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1C[N@@H+](C)CCN1 ZINC000616632764 399492352 /nfs/dbraw/zinc/49/23/52/399492352.db2.gz PLOGIQHIXUWBGA-AWEZNQCLSA-N 1 1 305.422 2.634 10 0 DFAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc3ccnnc3c2)C1 ZINC000616632893 399492380 /nfs/dbraw/zinc/49/23/80/399492380.db2.gz YMKOMGLQVQZCCL-HNNXBMFYSA-N 1 1 314.389 2.511 10 0 DFAEMO NC(=O)c1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000616651377 399494417 /nfs/dbraw/zinc/49/44/17/399494417.db2.gz MXSHIRSWLKDURM-GOSISDBHSA-N 1 1 310.397 2.749 10 0 DFAEMO CC[C@@H]1[N@@H+](CCOCc2ccccc2)CCC[C@@]12CCC(=O)N2 ZINC000248148744 257108201 /nfs/dbraw/zinc/10/82/01/257108201.db2.gz FWRJGTSJMSOAAN-PKOBYXMFSA-N 1 1 316.445 2.726 10 0 DFAEMO Fc1ccc(CN2C[C@H]3OCC[N@@H+](CC4CCCC4)[C@H]3C2)cc1 ZINC000503717321 257209474 /nfs/dbraw/zinc/20/94/74/257209474.db2.gz LQDJJKPVIOTLAR-RBUKOAKNSA-N 1 1 318.436 2.901 10 0 DFAEMO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@H+](C4CCC4)C[C@@H]23)c1 ZINC000503713039 257210551 /nfs/dbraw/zinc/21/05/51/257210551.db2.gz LNQVHYIRINVYRU-XFBWCDHKSA-N 1 1 308.809 2.613 10 0 DFAEMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261879787 146293459 /nfs/dbraw/zinc/29/34/59/146293459.db2.gz UNTQCYTZBRRXGG-CQSZACIVSA-N 1 1 309.841 2.728 10 0 DFAEMO CC1(C)CN(CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000261879787 146293462 /nfs/dbraw/zinc/29/34/62/146293462.db2.gz UNTQCYTZBRRXGG-CQSZACIVSA-N 1 1 309.841 2.728 10 0 DFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1C(C)C ZINC000089840177 426312580 /nfs/dbraw/zinc/31/25/80/426312580.db2.gz LWPGBDKYHIWDKL-CQSZACIVSA-N 1 1 307.442 2.706 10 0 DFAEMO C[N@@H+](CC(=O)c1ccco1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075482 426363116 /nfs/dbraw/zinc/36/31/16/426363116.db2.gz NTPIIYZADIAANB-ZDUSSCGKSA-N 1 1 322.405 2.651 10 0 DFAEMO C[N@H+](CC(=O)c1ccco1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075482 426363119 /nfs/dbraw/zinc/36/31/19/426363119.db2.gz NTPIIYZADIAANB-ZDUSSCGKSA-N 1 1 322.405 2.651 10 0 DFAEMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C1)O2 ZINC000097758944 426474103 /nfs/dbraw/zinc/47/41/03/426474103.db2.gz HEPYIFPOBWDZNC-IYBDPMFKSA-N 1 1 318.417 2.507 10 0 DFAEMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C1)O2 ZINC000097758944 426474104 /nfs/dbraw/zinc/47/41/04/426474104.db2.gz HEPYIFPOBWDZNC-IYBDPMFKSA-N 1 1 318.417 2.507 10 0 DFAEMO CC(C)OC[C@H](O)C[N@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000253376484 427203025 /nfs/dbraw/zinc/20/30/25/427203025.db2.gz UBMMGPIBSZTICD-HZPDHXFCSA-N 1 1 313.463 2.515 10 0 DFAEMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc2ccccc2n1 ZINC000257365637 427335567 /nfs/dbraw/zinc/33/55/67/427335567.db2.gz BSYLEHMJIHSJEG-ZWKOTPCHSA-N 1 1 324.428 2.719 10 0 DFAEMO CCOC(=O)CC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccccc1 ZINC000584629301 337376409 /nfs/dbraw/zinc/37/64/09/337376409.db2.gz NWYDVMPWEGOBBN-SFHVURJKSA-N 1 1 319.401 2.538 10 0 DFAEMO CCOC(=O)CC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccccc1 ZINC000584629301 337376410 /nfs/dbraw/zinc/37/64/10/337376410.db2.gz NWYDVMPWEGOBBN-SFHVURJKSA-N 1 1 319.401 2.538 10 0 DFAEMO [O-][N+]1=CC(c2cccc(C(F)(F)F)c2)=[N+](O)[C@@H]2CCCC[C@H]21 ZINC000225404501 398348337 /nfs/dbraw/zinc/34/83/37/398348337.db2.gz MOOILDHMSNJTLB-CHWSQXEVSA-N 1 1 314.307 2.694 10 0 DFAEMO [NH3+]CCc1c(F)cccc1N1CCN(Cc2ccccc2)CC1 ZINC000071670361 191002854 /nfs/dbraw/zinc/00/28/54/191002854.db2.gz MCXHUQNMBHZTOD-UHFFFAOYSA-N 1 1 313.420 2.649 10 0 DFAEMO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[N@@H+](C)CCC(=O)[O-] ZINC000237683181 202326799 /nfs/dbraw/zinc/32/67/99/202326799.db2.gz KNJLAQHVOGTGRR-GJZGRUSLSA-N 1 1 304.434 2.550 10 0 DFAEMO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)CC1CC(O)C1 ZINC000091499364 193065237 /nfs/dbraw/zinc/06/52/37/193065237.db2.gz TYLSAEZDBABLBT-UHFFFAOYSA-N 1 1 307.781 2.593 10 0 DFAEMO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261896624 203145237 /nfs/dbraw/zinc/14/52/37/203145237.db2.gz GDZDUSVXILUWNN-GBESFXJTSA-N 1 1 321.424 2.667 10 0 DFAEMO FC(F)Oc1ccc(Br)cc1C[NH2+]C1COC1 ZINC000094709936 193393227 /nfs/dbraw/zinc/39/32/27/193393227.db2.gz VKZZLIXWLOXKOZ-UHFFFAOYSA-N 1 1 308.122 2.539 10 0 DFAEMO [NH3+][C@@H]1c2cc(Br)ccc2N(Cc2ccccc2)C1=O ZINC000016082917 182032043 /nfs/dbraw/zinc/03/20/43/182032043.db2.gz JTQDYCDRJBPFDY-CQSZACIVSA-N 1 1 317.186 2.996 10 0 DFAEMO CN(C)CC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000019225021 182108120 /nfs/dbraw/zinc/10/81/20/182108120.db2.gz UIZGRCIGJJHKOT-MRXNPFEDSA-N 1 1 309.885 2.798 10 0 DFAEMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000019225021 182108121 /nfs/dbraw/zinc/10/81/21/182108121.db2.gz UIZGRCIGJJHKOT-MRXNPFEDSA-N 1 1 309.885 2.798 10 0 DFAEMO CN(CC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000019225021 182108122 /nfs/dbraw/zinc/10/81/22/182108122.db2.gz UIZGRCIGJJHKOT-MRXNPFEDSA-N 1 1 309.885 2.798 10 0 DFAEMO Fc1ccc(Br)c(CN[C@H]2C[NH+]3CCC2CC3)c1 ZINC000020070714 182185614 /nfs/dbraw/zinc/18/56/14/182185614.db2.gz OMDGKWBRVYZPTQ-AWEZNQCLSA-N 1 1 313.214 2.772 10 0 DFAEMO C[C@@H](C(=O)Nc1nc2ccc(N)cc2s1)[NH+]1CCCCC1 ZINC000020561117 182232222 /nfs/dbraw/zinc/23/22/22/182232222.db2.gz HOFARKWNVQGOBI-JTQLQIEISA-N 1 1 304.419 2.691 10 0 DFAEMO CS(=O)(=O)c1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 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Fc1cccc(C[NH+]2C[C@H]3CN(Cc4ccncc4)C[C@@H]3C2)c1 ZINC000306126440 534518619 /nfs/dbraw/zinc/51/86/19/534518619.db2.gz DWBTVFQJKRXGKY-QZTJIDSGSA-N 1 1 311.404 2.785 10 0 DFAEMO C[C@@H]1[N+]([O-])=C(c2ccccc2)C(c2ccccc2)=[N+](O)C1(C)C ZINC000225396696 398347919 /nfs/dbraw/zinc/34/79/19/398347919.db2.gz GUWOTYFMHCMSJE-AWEZNQCLSA-N 1 1 310.397 2.949 10 0 DFAEMO Cc1noc(C2CC[NH+](Cc3nc4cccnc4s3)CC2)n1 ZINC000328873267 231373609 /nfs/dbraw/zinc/37/36/09/231373609.db2.gz IZOLAILCNARFCT-UHFFFAOYSA-N 1 1 315.402 2.762 10 0 DFAEMO C[NH2+][C@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)c1cnn(C)c1 ZINC000262055153 203186084 /nfs/dbraw/zinc/18/60/84/203186084.db2.gz HWEXQPDGKWGOFY-ACJLOTCBSA-N 1 1 322.412 2.711 10 0 DFAEMO [NH3+]Cc1nn2c(nnc2-c2ccc(Cl)cc2Cl)s1 ZINC000020391719 182213323 /nfs/dbraw/zinc/21/33/23/182213323.db2.gz HIAPMQHAAWOYEZ-UHFFFAOYSA-N 1 1 300.174 2.618 10 0 DFAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000020545012 182228971 /nfs/dbraw/zinc/22/89/71/182228971.db2.gz UDWPXHDDBRTZJR-SNVBAGLBSA-N 1 1 302.205 2.603 10 0 DFAEMO C[NH+](C)CC(=O)n1c(COc2ccccc2)nc2ccccc21 ZINC000039753691 183021543 /nfs/dbraw/zinc/02/15/43/183021543.db2.gz FRFXSXGCSZXQRC-UHFFFAOYSA-N 1 1 309.369 2.817 10 0 DFAEMO Cc1nccc(C[NH2+]Cc2ccc(O)c(Br)c2)n1 ZINC000057997786 184065897 /nfs/dbraw/zinc/06/58/97/184065897.db2.gz WSQUIYYTAKLQND-UHFFFAOYSA-N 1 1 308.179 2.543 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616602861 399488276 /nfs/dbraw/zinc/48/82/76/399488276.db2.gz RNXVHAUSFFCSRW-ZDUSSCGKSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@H]1c1c[nH]cn1 ZINC000616625948 399491876 /nfs/dbraw/zinc/49/18/76/399491876.db2.gz ZLNPNADDCQHRNK-AWEZNQCLSA-N 1 1 308.426 2.852 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1c1c[nH]cn1 ZINC000616625948 399491879 /nfs/dbraw/zinc/49/18/79/399491879.db2.gz ZLNPNADDCQHRNK-AWEZNQCLSA-N 1 1 308.426 2.852 10 0 DFAEMO CC(C)(C)OC(=O)Nc1cccc([C@H]2CC[N@@H+](CCO)C2)c1 ZINC000616613887 399490045 /nfs/dbraw/zinc/49/00/45/399490045.db2.gz UNNVHWKQJOSJKQ-AWEZNQCLSA-N 1 1 306.406 2.815 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@@H]1c1cc[nH]n1 ZINC000616623026 399490778 /nfs/dbraw/zinc/49/07/78/399490778.db2.gz BHZQTARABZYSJR-CQSZACIVSA-N 1 1 308.426 2.852 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@@H]1c1cc[nH]n1 ZINC000616623026 399490779 /nfs/dbraw/zinc/49/07/79/399490779.db2.gz BHZQTARABZYSJR-CQSZACIVSA-N 1 1 308.426 2.852 10 0 DFAEMO NC(=O)c1ccccc1[C@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616645741 399494314 /nfs/dbraw/zinc/49/43/14/399494314.db2.gz BGQNZXNVFNGPHR-GOSISDBHSA-N 1 1 310.397 2.749 10 0 DFAEMO CC(C)(C)OC(=O)NCC[C@@H]1COCC[N@H+](C(C)(C)C)C1 ZINC000616661907 399495685 /nfs/dbraw/zinc/49/56/85/399495685.db2.gz ZXIDDHILMWBNMG-ZDUSSCGKSA-N 1 1 300.443 2.648 10 0 DFAEMO Fc1ccc(CN2CC[C@]23CC[N@@H+](C[C@@H]2CCOC2)C3)cc1 ZINC000096090213 257134720 /nfs/dbraw/zinc/13/47/20/257134720.db2.gz PFABGBYGKRKTEH-WMZOPIPTSA-N 1 1 304.409 2.512 10 0 DFAEMO CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2)[C@@H]1Cc1cnn(C)c1 ZINC000503714850 257210453 /nfs/dbraw/zinc/21/04/53/257210453.db2.gz ABSHCSSAGLIVGA-MSOLQXFVSA-N 1 1 317.408 2.781 10 0 DFAEMO CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261922629 146302783 /nfs/dbraw/zinc/30/27/83/146302783.db2.gz YVMXQHVOROBHNY-HNNXBMFYSA-N 1 1 321.490 2.796 10 0 DFAEMO CSc1ccccc1NC(=O)CCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261922629 146302787 /nfs/dbraw/zinc/30/27/87/146302787.db2.gz YVMXQHVOROBHNY-HNNXBMFYSA-N 1 1 321.490 2.796 10 0 DFAEMO O=C1C[C@H](C[NH+]2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000013471605 425754363 /nfs/dbraw/zinc/75/43/63/425754363.db2.gz WFNOTNPRCDADTF-OAHLLOKOSA-N 1 1 307.397 2.574 10 0 DFAEMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074888 426363734 /nfs/dbraw/zinc/36/37/34/426363734.db2.gz KTVMMCVWCKQAEI-HNNXBMFYSA-N 1 1 305.422 2.913 10 0 DFAEMO Cc1c[nH+]c(CCNC(=O)c2ccccn2)n1Cc1ccccc1 ZINC000575317514 430079047 /nfs/dbraw/zinc/07/90/47/430079047.db2.gz MWZNFRRVECOLED-UHFFFAOYSA-N 1 1 320.396 2.607 10 0 DFAEMO Cc1sc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)nc1C(C)C ZINC000261885334 279283607 /nfs/dbraw/zinc/28/36/07/279283607.db2.gz FTXCNZZGABBERL-KFWWJZLASA-N 1 1 323.506 2.822 10 0 DFAEMO C[N@H+](CCO)CCNc1cc(-c2ccccc2)nc2ccccc21 ZINC000584602925 337371110 /nfs/dbraw/zinc/37/11/10/337371110.db2.gz DHYKSDQJMKYPBU-UHFFFAOYSA-N 1 1 321.424 2.660 10 0 DFAEMO C[N@@H+](CCO)CCNc1cc(-c2ccccc2)nc2ccccc21 ZINC000584602925 337371111 /nfs/dbraw/zinc/37/11/11/337371111.db2.gz DHYKSDQJMKYPBU-UHFFFAOYSA-N 1 1 321.424 2.660 10 0 DFAEMO CCOC(=O)CC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccccc1 ZINC000584629299 337376444 /nfs/dbraw/zinc/37/64/44/337376444.db2.gz NWYDVMPWEGOBBN-GOSISDBHSA-N 1 1 319.401 2.538 10 0 DFAEMO CCOC(=O)CC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccccc1 ZINC000584629299 337376445 /nfs/dbraw/zinc/37/64/45/337376445.db2.gz NWYDVMPWEGOBBN-GOSISDBHSA-N 1 1 319.401 2.538 10 0 DFAEMO Brc1ccccc1[C@H]1N=C(C[NH+]2CCCCC2)ON1 ZINC000584651722 337381046 /nfs/dbraw/zinc/38/10/46/337381046.db2.gz YLRBHVUMAXWOFD-AWEZNQCLSA-N 1 1 324.222 2.867 10 0 DFAEMO C/C=C1/C[N@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@H]2CO ZINC000004097847 560194987 /nfs/dbraw/zinc/19/49/87/560194987.db2.gz PXFBZOLANLWPMH-BUGLCNQASA-N 1 1 324.424 2.782 10 0 in-vitro DFAEMO C/C=C1/C[N@@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@H]2CO ZINC000004097847 560194988 /nfs/dbraw/zinc/19/49/88/560194988.db2.gz PXFBZOLANLWPMH-BUGLCNQASA-N 1 1 324.424 2.782 10 0 in-vitro DFAEMO [NH3+]Cc1nc(C(=O)c2cscc2Br)cs1 ZINC000226569770 398351477 /nfs/dbraw/zinc/35/14/77/398351477.db2.gz OXRGFBFSOHQAAD-UHFFFAOYSA-N 1 1 303.206 2.657 10 0 DFAEMO CN(C)c1ccc(C[C@H]2C[N@H+](C3CCCCC3)C[C@@H]2O)cc1 ZINC000004823576 181157482 /nfs/dbraw/zinc/15/74/82/181157482.db2.gz KUCDLOGXSMKLSY-LPHOPBHVSA-N 1 1 302.462 2.921 10 0 DFAEMO [NH3+]Cc1nc(C(=O)Nc2ccccc2OC(F)(F)F)cs1 ZINC000090930008 192951620 /nfs/dbraw/zinc/95/16/20/192951620.db2.gz XLMDFQVHBXGFSL-UHFFFAOYSA-N 1 1 317.292 2.753 10 0 DFAEMO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)s1 ZINC000618256985 399053888 /nfs/dbraw/zinc/05/38/88/399053888.db2.gz NRZIBTIAUZNTOB-CYBMUJFWSA-N 1 1 321.471 2.826 10 0 DFAEMO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccsc3)C2)s1 ZINC000618256985 399053892 /nfs/dbraw/zinc/05/38/92/399053892.db2.gz NRZIBTIAUZNTOB-CYBMUJFWSA-N 1 1 321.471 2.826 10 0 DFAEMO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261896622 203146149 /nfs/dbraw/zinc/14/61/49/203146149.db2.gz GDZDUSVXILUWNN-FHWLQOOXSA-N 1 1 321.424 2.667 10 0 DFAEMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(O)cc2C)C1=O ZINC000019766878 182144504 /nfs/dbraw/zinc/14/45/04/182144504.db2.gz KLJZHWDAROROEG-CZUORRHYSA-N 1 1 316.401 2.597 10 0 DFAEMO CCN1CCN([C@H](C[NH3+])c2cccc(Cl)c2Cl)CC1 ZINC000019861965 182158103 /nfs/dbraw/zinc/15/81/03/182158103.db2.gz WBFWDLPGQOLRFL-CYBMUJFWSA-N 1 1 302.249 2.631 10 0 DFAEMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542626 182229500 /nfs/dbraw/zinc/22/95/00/182229500.db2.gz VZTRHOCXGFPNSM-QGZVFWFLSA-N 1 1 321.509 2.632 10 0 DFAEMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)CCC3CCCC3)C2)CC1 ZINC000020542626 182229502 /nfs/dbraw/zinc/22/95/02/182229502.db2.gz VZTRHOCXGFPNSM-QGZVFWFLSA-N 1 1 321.509 2.632 10 0 DFAEMO C/C(=C\c1ccccc1)CN1CC[N@H+](C(C)C)[C@@H](CCO)C1 ZINC000020599962 182236454 /nfs/dbraw/zinc/23/64/54/182236454.db2.gz OZMZBFYVNNVZIM-UMEYKSNOSA-N 1 1 302.462 2.867 10 0 DFAEMO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccc1Cl ZINC000021812804 182293049 /nfs/dbraw/zinc/29/30/49/182293049.db2.gz HTBRJGWTBGAOMU-SCZZXKLOSA-N 1 1 308.230 2.831 10 0 DFAEMO Ic1ccccc1OCC[NH+]1CCCC1 ZINC000042418353 183266706 /nfs/dbraw/zinc/26/67/06/183266706.db2.gz NPDDOIFIYZSEKM-UHFFFAOYSA-N 1 1 317.170 2.766 10 0 DFAEMO C[C@H](C[N@@H+](C)Cc1ccc(Br)cc1F)C(N)=S ZINC000042457312 183272597 /nfs/dbraw/zinc/27/25/97/183272597.db2.gz HUOINHKQQIJIPI-MRVPVSSYSA-N 1 1 319.243 2.942 10 0 DFAEMO C[C@@H](C[N@@H+](C)Cc1cc(Br)ccc1F)C(N)=S ZINC000042457981 183272644 /nfs/dbraw/zinc/27/26/44/183272644.db2.gz QKDIONIBQTUKIV-QMMMGPOBSA-N 1 1 319.243 2.942 10 0 DFAEMO CC[N@@H+](Cc1ccc(N)cc1Br)[C@H](C)COC ZINC000042738121 183303511 /nfs/dbraw/zinc/30/35/11/183303511.db2.gz GOPDWIKSCQJKCX-SNVBAGLBSA-N 1 1 301.228 2.888 10 0 DFAEMO CC[N@@H+]([C@@H](CN)c1ccc(Br)cc1)[C@@H](C)COC ZINC000042743778 183304302 /nfs/dbraw/zinc/30/43/02/183304302.db2.gz CZIFVMZZSIUERJ-FZMZJTMJSA-N 1 1 315.255 2.806 10 0 DFAEMO CC[N@H+]([C@@H](CN)c1ccc(Br)cc1)[C@@H](C)COC ZINC000042743778 183304303 /nfs/dbraw/zinc/30/43/03/183304303.db2.gz CZIFVMZZSIUERJ-FZMZJTMJSA-N 1 1 315.255 2.806 10 0 DFAEMO Cc1nnc(S[C@H](C[NH3+])c2ccc(Br)cc2)[nH]1 ZINC000042959886 183323751 /nfs/dbraw/zinc/32/37/51/183323751.db2.gz AGMZTTIWIOUJCX-SNVBAGLBSA-N 1 1 313.224 2.668 10 0 DFAEMO Cc1n[nH]c(S[C@H](C[NH3+])c2ccc(Br)cc2)n1 ZINC000042959886 183323753 /nfs/dbraw/zinc/32/37/53/183323753.db2.gz AGMZTTIWIOUJCX-SNVBAGLBSA-N 1 1 313.224 2.668 10 0 DFAEMO CCCC[N@H+](CCO)[C@@H](CN)c1cccc(Br)c1 ZINC000043021370 183329686 /nfs/dbraw/zinc/32/96/86/183329686.db2.gz RUJYQICXRJRYQH-AWEZNQCLSA-N 1 1 315.255 2.543 10 0 DFAEMO CCCC[N@@H+](CCO)[C@@H](CN)c1cccc(Br)c1 ZINC000043021370 183329687 /nfs/dbraw/zinc/32/96/87/183329687.db2.gz RUJYQICXRJRYQH-AWEZNQCLSA-N 1 1 315.255 2.543 10 0 DFAEMO CC(=O)Nc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CCN2)cc1 ZINC000616631862 399492366 /nfs/dbraw/zinc/49/23/66/399492366.db2.gz HETZWLIEXKMEGA-IBGZPJMESA-N 1 1 309.413 2.792 10 0 DFAEMO CC(=O)Nc1ccc([C@@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000616631862 399492368 /nfs/dbraw/zinc/49/23/68/399492368.db2.gz HETZWLIEXKMEGA-IBGZPJMESA-N 1 1 309.413 2.792 10 0 DFAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc3nnccc32)C1 ZINC000616633103 399492433 /nfs/dbraw/zinc/49/24/33/399492433.db2.gz ISVPQEGNCOXNKO-OAHLLOKOSA-N 1 1 314.389 2.511 10 0 DFAEMO c1ccc(C[N@H+]2CCN[C@H](c3ccc4ccnnc4c3)C2)cc1 ZINC000616631844 399492561 /nfs/dbraw/zinc/49/25/61/399492561.db2.gz GUCLDWZUNCOFSC-IBGZPJMESA-N 1 1 304.397 2.776 10 0 DFAEMO 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320.396 2.930 10 0 DFAEMO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000035517125 398551179 /nfs/dbraw/zinc/55/11/79/398551179.db2.gz XYWFRRVCYHZYOT-ZDUSSCGKSA-N 1 1 309.325 2.708 10 0 DFAEMO c1cc(COC[C@H]2C[N@H+](C3CCC3)CC23CCOCC3)ccn1 ZINC000409421625 398696293 /nfs/dbraw/zinc/69/62/93/398696293.db2.gz NPVUJWLDUXNGJZ-QGZVFWFLSA-N 1 1 316.445 2.879 10 0 DFAEMO C[N@H+]1CCC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003954477 181058971 /nfs/dbraw/zinc/05/89/71/181058971.db2.gz SEWHBJAHHOCKER-HKUYNNGSSA-N 1 1 317.429 2.702 10 0 DFAEMO C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCCCC2)C1=O ZINC000005105323 181203778 /nfs/dbraw/zinc/20/37/78/181203778.db2.gz ZQFSPZKFEMKLTG-INIZCTEOSA-N 1 1 321.808 2.550 10 0 DFAEMO CC(C)(C)c1cc(N)n(-c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000116096679 398758137 /nfs/dbraw/zinc/75/81/37/398758137.db2.gz RGIFNJXMULLSGC-UHFFFAOYSA-N 1 1 314.433 2.584 10 0 DFAEMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000117723353 398766981 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CCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000237007872 202120954 /nfs/dbraw/zinc/12/09/54/202120954.db2.gz UCLSUUHSIKPWNP-MRVPVSSYSA-N 1 1 321.602 2.874 10 0 DFAEMO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1CC(O)C1 ZINC000091490689 193064586 /nfs/dbraw/zinc/06/45/86/193064586.db2.gz VTGLAGPWLINVMD-UHFFFAOYSA-N 1 1 317.216 2.635 10 0 DFAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)CCC(=O)[O-] ZINC000262499839 203309798 /nfs/dbraw/zinc/30/97/98/203309798.db2.gz KNJLAQHVOGTGRR-HWWDLCQESA-N 1 1 304.434 2.550 10 0 DFAEMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[N@H+](C)CCC(=O)[O-] ZINC000262499839 203309801 /nfs/dbraw/zinc/30/98/01/203309801.db2.gz KNJLAQHVOGTGRR-HWWDLCQESA-N 1 1 304.434 2.550 10 0 DFAEMO C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[N@@H+](C)CCC(=O)[O-] ZINC000262499839 203309805 /nfs/dbraw/zinc/30/98/05/203309805.db2.gz KNJLAQHVOGTGRR-HWWDLCQESA-N 1 1 304.434 2.550 10 0 DFAEMO COc1cc2nc(NCCC[NH+](C)C)cc(C)c2c(OC)c1 ZINC000016671061 182056568 /nfs/dbraw/zinc/05/65/68/182056568.db2.gz KJJXIMPRODKPFY-UHFFFAOYSA-N 1 1 303.406 2.924 10 0 DFAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(CO)o2)C1 ZINC000019837097 182154846 /nfs/dbraw/zinc/15/48/46/182154846.db2.gz NJGROPGLSLOUJQ-KRWDZBQOSA-N 1 1 314.429 2.868 10 0 DFAEMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(N)=S)cc1 ZINC000020013386 182177606 /nfs/dbraw/zinc/17/76/06/182177606.db2.gz HGVGPPYHMIAKDN-LBPRGKRZSA-N 1 1 307.463 2.770 10 0 DFAEMO Cn1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000020911811 182253460 /nfs/dbraw/zinc/25/34/60/182253460.db2.gz RFZDZEWKNSDXQD-IBGZPJMESA-N 1 1 312.461 2.559 10 0 DFAEMO Nc1cc(C(F)(F)F)ccc1NC(=O)C[NH+]1CCCCC1 ZINC000021008808 182259372 /nfs/dbraw/zinc/25/93/72/182259372.db2.gz PTRKLUMEYKXCLR-UHFFFAOYSA-N 1 1 301.312 2.712 10 0 DFAEMO Cc1ccc(-c2ccccc2CN2CC[N@H+](C)[C@@H](CCO)C2)o1 ZINC000023359660 182358240 /nfs/dbraw/zinc/35/82/40/182358240.db2.gz OZHKVCFVZHPTDB-KRWDZBQOSA-N 1 1 314.429 2.753 10 0 DFAEMO Cc1ccc(-c2ccccc2C[N@H+]2CCN(C)[C@@H](CCO)C2)o1 ZINC000023359660 182358242 /nfs/dbraw/zinc/35/82/42/182358242.db2.gz OZHKVCFVZHPTDB-KRWDZBQOSA-N 1 1 314.429 2.753 10 0 DFAEMO Cc1ccc(-c2ccccc2C[N@@H+]2CCN(C)[C@@H](CCO)C2)o1 ZINC000023359660 182358244 /nfs/dbraw/zinc/35/82/44/182358244.db2.gz OZHKVCFVZHPTDB-KRWDZBQOSA-N 1 1 314.429 2.753 10 0 DFAEMO C[C@@H](C[N@@H+](C)Cc1ccc(F)c(Br)c1)C(N)=S ZINC000042458033 183273148 /nfs/dbraw/zinc/27/31/48/183273148.db2.gz GHYXXYJHYUBMQZ-QMMMGPOBSA-N 1 1 319.243 2.942 10 0 DFAEMO Nc1ccc(C[N@@H+](CCO)C2CCCC2)c(Br)c1 ZINC000042483915 183276432 /nfs/dbraw/zinc/27/64/32/183276432.db2.gz WEZUGXXDJSCGDR-UHFFFAOYSA-N 1 1 313.239 2.768 10 0 DFAEMO COC[C@H](C)[N@H+](C)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000042518851 183279425 /nfs/dbraw/zinc/27/94/25/183279425.db2.gz CCYYNGSEDSIGLQ-QWRGUYRKSA-N 1 1 314.223 2.987 10 0 DFAEMO COC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000042518851 183279427 /nfs/dbraw/zinc/27/94/27/183279427.db2.gz CCYYNGSEDSIGLQ-QWRGUYRKSA-N 1 1 314.223 2.987 10 0 DFAEMO C[C@@H](C[N@@H+](C)Cc1sccc1Br)C(N)=S ZINC000043675552 183378965 /nfs/dbraw/zinc/37/89/65/183378965.db2.gz VIXYSCNQVWDDJP-ZETCQYMHSA-N 1 1 307.282 2.865 10 0 DFAEMO Oc1ccccc1-c1nc2ccccc2c(N[C@H]2CC[NH2+]C2)n1 ZINC000058632008 184125557 /nfs/dbraw/zinc/12/55/57/184125557.db2.gz XVURFLCQTYKQLW-LBPRGKRZSA-N 1 1 306.369 2.776 10 0 in-vitro DFAEMO COCCC[N@@H+](C)CC[C@H](O)c1ccccc1Br ZINC000062035807 184203034 /nfs/dbraw/zinc/20/30/34/184203034.db2.gz CHMVIPFMTJTFMB-AWEZNQCLSA-N 1 1 316.239 2.841 10 0 DFAEMO Cn1cnnc1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000065287763 184322639 /nfs/dbraw/zinc/32/26/39/184322639.db2.gz STOJSOXIUQYBNQ-NSHDSACASA-N 1 1 308.788 2.987 10 0 DFAEMO Cn1cnnc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000065287763 184322640 /nfs/dbraw/zinc/32/26/40/184322640.db2.gz STOJSOXIUQYBNQ-NSHDSACASA-N 1 1 308.788 2.987 10 0 DFAEMO COc1cc(C[N@@H+](Cc2cnn(C)c2)C(C)C)cc2c1OCO2 ZINC000065490334 184353812 /nfs/dbraw/zinc/35/38/12/184353812.db2.gz VCNKFRRUHZRPSR-UHFFFAOYSA-N 1 1 317.389 2.568 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1ccccc1N ZINC000616610490 399489457 /nfs/dbraw/zinc/48/94/57/399489457.db2.gz RFCAKOBQYPXGCN-HNNXBMFYSA-N 1 1 305.422 2.930 10 0 DFAEMO NC(=O)c1ccccc1[C@@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616597856 399487743 /nfs/dbraw/zinc/48/77/43/399487743.db2.gz LMJMFKZSEHCOLS-SFHVURJKSA-N 1 1 310.397 2.749 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2c[nH]cn2)CC1 ZINC000616628747 399491585 /nfs/dbraw/zinc/49/15/85/399491585.db2.gz QNBUNEPYPPDILQ-ZDUSSCGKSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)Nc1cccc([C@@H]2CC[N@@H+](CCO)C2)c1 ZINC000616614650 399489901 /nfs/dbraw/zinc/48/99/01/399489901.db2.gz UNNVHWKQJOSJKQ-CQSZACIVSA-N 1 1 306.406 2.815 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1c1ccnnc1 ZINC000616614434 399490219 /nfs/dbraw/zinc/49/02/19/399490219.db2.gz FTZSYYQWVZNOMN-CQSZACIVSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H]1c1ccnnc1 ZINC000616614434 399490221 /nfs/dbraw/zinc/49/02/21/399490221.db2.gz FTZSYYQWVZNOMN-CQSZACIVSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@H]1c1cnno1 ZINC000616624712 399490665 /nfs/dbraw/zinc/49/06/65/399490665.db2.gz WVQHOLSBXIFXNW-LBPRGKRZSA-N 1 1 310.398 2.511 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@H]1c1cnno1 ZINC000616624712 399490668 /nfs/dbraw/zinc/49/06/68/399490668.db2.gz WVQHOLSBXIFXNW-LBPRGKRZSA-N 1 1 310.398 2.511 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2cccc(N)c2)C1 ZINC000616621963 399491031 /nfs/dbraw/zinc/49/10/31/399491031.db2.gz WTKYPFCTAPPTFH-HNNXBMFYSA-N 1 1 319.449 2.973 10 0 DFAEMO CC[N@H+]1CCN[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616632389 399492302 /nfs/dbraw/zinc/49/23/02/399492302.db2.gz IESZRQRVGNVTFE-HNNXBMFYSA-N 1 1 305.422 3.000 10 0 DFAEMO CCN1CC[NH2+][C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616632389 399492304 /nfs/dbraw/zinc/49/23/04/399492304.db2.gz IESZRQRVGNVTFE-HNNXBMFYSA-N 1 1 305.422 3.000 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2cccnn2)C1 ZINC000616630723 399492325 /nfs/dbraw/zinc/49/23/25/399492325.db2.gz SSEGFQSDAPSGHP-CQSZACIVSA-N 1 1 320.437 2.571 10 0 DFAEMO c1ccc(C[N@H+]2CCN[C@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616632562 399492525 /nfs/dbraw/zinc/49/25/25/399492525.db2.gz QUSWSTTZRMESMI-IBGZPJMESA-N 1 1 304.397 2.776 10 0 DFAEMO c1ccc(CN2CC[NH2+][C@H](c3ccc4nnccc4c3)C2)cc1 ZINC000616632562 399492529 /nfs/dbraw/zinc/49/25/29/399492529.db2.gz QUSWSTTZRMESMI-IBGZPJMESA-N 1 1 304.397 2.776 10 0 DFAEMO CC(=O)Nc1cccc([C@H]2C[N@@H+](Cc3ccccc3)CCN2)c1 ZINC000616633286 399492629 /nfs/dbraw/zinc/49/26/29/399492629.db2.gz OPRJPPGFPMJYQJ-LJQANCHMSA-N 1 1 309.413 2.792 10 0 DFAEMO CC(=O)Nc1cccc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000616633286 399492635 /nfs/dbraw/zinc/49/26/35/399492635.db2.gz OPRJPPGFPMJYQJ-LJQANCHMSA-N 1 1 309.413 2.792 10 0 DFAEMO Fc1ccccc1N1C[C@@H]2CC[N@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000247555851 257119163 /nfs/dbraw/zinc/11/91/63/257119163.db2.gz XGWHVUJGEPVENI-DLBZAZTESA-N 1 1 317.452 2.680 10 0 DFAEMO Fc1ccccc1N1C[C@@H]2CC[N@@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000247555851 257119164 /nfs/dbraw/zinc/11/91/64/257119164.db2.gz XGWHVUJGEPVENI-DLBZAZTESA-N 1 1 317.452 2.680 10 0 DFAEMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+](C)C(C)C)OC[C@@H]3C2)n1 ZINC000503717729 257208901 /nfs/dbraw/zinc/20/89/01/257208901.db2.gz AGQIIPAFGUAVFK-UHOSZYNNSA-N 1 1 317.477 2.567 10 0 DFAEMO Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C[NH+](C)C(C)C)OC[C@@H]3C2)n1 ZINC000503717729 257208902 /nfs/dbraw/zinc/20/89/02/257208902.db2.gz AGQIIPAFGUAVFK-UHOSZYNNSA-N 1 1 317.477 2.567 10 0 DFAEMO C[C@H]1CCc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)sc2C1 ZINC000261677358 146257779 /nfs/dbraw/zinc/25/77/79/146257779.db2.gz AAZOLMMXLJZCCQ-ZDUSSCGKSA-N 1 1 305.491 2.843 10 0 DFAEMO Cc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c(-c2ccnn2C)c1 ZINC000261961092 146310041 /nfs/dbraw/zinc/31/00/41/146310041.db2.gz PFYKQHPALVAJSL-GOSISDBHSA-N 1 1 312.461 2.955 10 0 DFAEMO Cc1cccc2nc(CCC(=O)NC[C@H]([NH3+])c3ccccc3)[nH]c21 ZINC000262564108 146373148 /nfs/dbraw/zinc/37/31/48/146373148.db2.gz BHUXOVMLHGLFCZ-HNNXBMFYSA-N 1 1 322.412 2.620 10 0 DFAEMO Cc1cnc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)s1 ZINC000333053235 268371434 /nfs/dbraw/zinc/37/14/34/268371434.db2.gz CLUYWLKXSRKKJJ-LBPRGKRZSA-N 1 1 320.418 2.817 10 0 DFAEMO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CC(=O)c1cccs1 ZINC000095085780 426364623 /nfs/dbraw/zinc/36/46/23/426364623.db2.gz RFFGHUGUUXTXAU-LBPRGKRZSA-N 1 1 324.446 2.920 10 0 DFAEMO C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089109 426365481 /nfs/dbraw/zinc/36/54/81/426365481.db2.gz ZOOGJTPRCKHIEP-UONOGXRCSA-N 1 1 320.437 2.917 10 0 DFAEMO C[C@@H](c1cnccn1)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089109 426365484 /nfs/dbraw/zinc/36/54/84/426365484.db2.gz ZOOGJTPRCKHIEP-UONOGXRCSA-N 1 1 320.437 2.917 10 0 DFAEMO C[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(F)nc3)CC2)C1 ZINC000584605405 337371622 /nfs/dbraw/zinc/37/16/22/337371622.db2.gz ZSLMLHZSGOARPB-CYBMUJFWSA-N 1 1 305.397 2.557 10 0 DFAEMO CCOc1ccc(Nc2[nH+]c3ccccc3n2CC(N)=O)cc1 ZINC000057351737 521141053 /nfs/dbraw/zinc/14/10/53/521141053.db2.gz PKNSFZALFISVSN-UHFFFAOYSA-N 1 1 310.357 2.664 10 0 DFAEMO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000381880184 597667101 /nfs/dbraw/zinc/66/71/01/597667101.db2.gz ADTOUCGDVFOJPS-XIRDDKMYSA-N 1 1 304.434 2.596 10 0 DFAEMO [O-][N+]1=CC(c2cccc(C(F)(F)F)c2)=[N+](O)[C@H]2CCCC[C@H]21 ZINC000225404454 398348161 /nfs/dbraw/zinc/34/81/61/398348161.db2.gz MOOILDHMSNJTLB-OLZOCXBDSA-N 1 1 314.307 2.694 10 0 DFAEMO CC(C)(C)OC(=O)NC1(C)CCN(c2ccc[nH+]c2N)CC1 ZINC000584907032 398431486 /nfs/dbraw/zinc/43/14/86/398431486.db2.gz XLWBGDBBPJQWNM-UHFFFAOYSA-N 1 1 306.410 2.547 10 0 DFAEMO C[N@@H+](CCOc1cccc(Br)c1)CC1CC(O)C1 ZINC000091461280 193059806 /nfs/dbraw/zinc/05/98/06/193059806.db2.gz CISBPRVWNWOZAC-UHFFFAOYSA-N 1 1 314.223 2.531 10 0 DFAEMO COc1cccc(C[C@H]2C[N@H+](C3CCSCC3)CCO2)c1 ZINC000020453371 182219133 /nfs/dbraw/zinc/21/91/33/182219133.db2.gz FIBVKYFHRSXTDF-KRWDZBQOSA-N 1 1 307.459 2.834 10 0 DFAEMO NC(=O)COc1ccc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000020872865 182250857 /nfs/dbraw/zinc/25/08/57/182250857.db2.gz ZHTSHEFJLYPZGJ-UHFFFAOYSA-N 1 1 310.353 2.587 10 0 DFAEMO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl ZINC000021813492 182293132 /nfs/dbraw/zinc/29/31/32/182293132.db2.gz UQIFLQQSWFEISL-SCZZXKLOSA-N 1 1 308.230 2.831 10 0 DFAEMO O[C@H](CC[N@H+]1CCCOCC1)c1ccc(Br)cc1 ZINC000061935095 184196689 /nfs/dbraw/zinc/19/66/89/184196689.db2.gz LRKQFXIDFGENMR-CQSZACIVSA-N 1 1 314.223 2.595 10 0 DFAEMO C[C@H]1C[N@@H+](CCNc2ccc(Br)cc2)CCCO1 ZINC000061936306 184197004 /nfs/dbraw/zinc/19/70/04/184197004.db2.gz PXKNSZJCLRHFHF-LBPRGKRZSA-N 1 1 313.239 2.972 10 0 DFAEMO O=C(CC[N@@H+]1CCC[C@H]1CN1CCCC1)NC1CCCCCC1 ZINC000065461928 184348767 /nfs/dbraw/zinc/34/87/67/184348767.db2.gz PCWDRMBALXCJCB-SFHVURJKSA-N 1 1 321.509 2.776 10 0 DFAEMO O=C(CC[N@H+]1CCC[C@H]1CN1CCCC1)NC1CCCCCC1 ZINC000065461928 184348769 /nfs/dbraw/zinc/34/87/69/184348769.db2.gz PCWDRMBALXCJCB-SFHVURJKSA-N 1 1 321.509 2.776 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1ccc(N)cc1 ZINC000616609513 399489427 /nfs/dbraw/zinc/48/94/27/399489427.db2.gz DAHRVINPFUQLCK-HNNXBMFYSA-N 1 1 305.422 2.930 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@@H](c2cn[nH]c2)C1 ZINC000616627452 399491654 /nfs/dbraw/zinc/49/16/54/399491654.db2.gz FHUJEVNCEODJAB-CYBMUJFWSA-N 1 1 308.426 2.504 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1ccnnc1 ZINC000616615922 399490115 /nfs/dbraw/zinc/49/01/15/399490115.db2.gz FTZSYYQWVZNOMN-AWEZNQCLSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1ccnnc1 ZINC000616615922 399490118 /nfs/dbraw/zinc/49/01/18/399490118.db2.gz FTZSYYQWVZNOMN-AWEZNQCLSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H](c2cn[nH]c2)C1 ZINC000616626982 399491999 /nfs/dbraw/zinc/49/19/99/399491999.db2.gz FHUJEVNCEODJAB-ZDUSSCGKSA-N 1 1 308.426 2.504 10 0 DFAEMO 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VIXYSCNQVWDDJP-SSDOTTSWSA-N 1 1 307.282 2.865 10 0 DFAEMO CN(Cc1ccc(Br)cc1)Cc1cccnc1C[NH3+] ZINC000061656669 184181262 /nfs/dbraw/zinc/18/12/62/184181262.db2.gz XJDRTEVFKIXUGS-UHFFFAOYSA-N 1 1 320.234 2.935 10 0 DFAEMO COc1cc(N)ccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000062462399 184237644 /nfs/dbraw/zinc/23/76/44/184237644.db2.gz QBCRKOZDPGYVCA-CYBMUJFWSA-N 1 1 313.401 2.736 10 0 DFAEMO COc1cc(N)ccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000062462395 184238063 /nfs/dbraw/zinc/23/80/63/184238063.db2.gz QBCRKOZDPGYVCA-ZDUSSCGKSA-N 1 1 313.401 2.736 10 0 DFAEMO NC(=O)c1cccc([C@@H]2CCOCC[N@H+]2Cc2ccccc2)c1 ZINC000616597267 399487862 /nfs/dbraw/zinc/48/78/62/399487862.db2.gz CDGORWPVHBGUFD-SFHVURJKSA-N 1 1 310.397 2.749 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCOC[C@@H]1C(C)(C)C ZINC000616597841 399487937 /nfs/dbraw/zinc/48/79/37/399487937.db2.gz TUJSTUIIALCCPW-CYBMUJFWSA-N 1 1 300.443 2.648 10 0 DFAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc3nnccc32)C1 ZINC000616601752 399488322 /nfs/dbraw/zinc/48/83/22/399488322.db2.gz ISVPQEGNCOXNKO-HNNXBMFYSA-N 1 1 314.389 2.511 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@@H]1c1cncnc1 ZINC000616605415 399489064 /nfs/dbraw/zinc/48/90/64/399489064.db2.gz KQCCNCLEPQSXKQ-OAHLLOKOSA-N 1 1 320.437 2.918 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCCC[C@@H]1c1cncnc1 ZINC000616605415 399489066 /nfs/dbraw/zinc/48/90/66/399489066.db2.gz KQCCNCLEPQSXKQ-OAHLLOKOSA-N 1 1 320.437 2.918 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@H]1c1ccncn1 ZINC000616615882 399489977 /nfs/dbraw/zinc/48/99/77/399489977.db2.gz DKLUNPSQPIDWDY-AWEZNQCLSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000616615882 399489981 /nfs/dbraw/zinc/48/99/81/399489981.db2.gz DKLUNPSQPIDWDY-AWEZNQCLSA-N 1 1 306.410 2.528 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2ccc(N)cc2)C1 ZINC000616621482 399490722 /nfs/dbraw/zinc/49/07/22/399490722.db2.gz PNIZZMVKFBMOAJ-HNNXBMFYSA-N 1 1 319.449 2.973 10 0 DFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2ncco2)CC1 ZINC000616629551 399491423 /nfs/dbraw/zinc/49/14/23/399491423.db2.gz XULWEYPATDXKST-CYBMUJFWSA-N 1 1 309.410 2.769 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2C[N@H+](C)CCN2)c1 ZINC000616632527 399492396 /nfs/dbraw/zinc/49/23/96/399492396.db2.gz KYAMXWSQIROCHB-HNNXBMFYSA-N 1 1 305.422 2.634 10 0 DFAEMO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2C[N@@H+](C)CCN2)c1 ZINC000616632527 399492398 /nfs/dbraw/zinc/49/23/98/399492398.db2.gz KYAMXWSQIROCHB-HNNXBMFYSA-N 1 1 305.422 2.634 10 0 DFAEMO NC(=O)c1cccc([C@H]2CCOCC[N@H+]2Cc2ccccc2)c1 ZINC000616657572 399495224 /nfs/dbraw/zinc/49/52/24/399495224.db2.gz CDGORWPVHBGUFD-GOSISDBHSA-N 1 1 310.397 2.749 10 0 DFAEMO NC(=O)c1cccc([C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000616652388 399495249 /nfs/dbraw/zinc/49/52/49/399495249.db2.gz LXALANHWWYHXNT-SFHVURJKSA-N 1 1 310.397 2.749 10 0 DFAEMO CN(C(=O)OC(C)(C)C)[C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616661611 399495617 /nfs/dbraw/zinc/49/56/17/399495617.db2.gz WJOPPWVDZLTQHM-INIZCTEOSA-N 1 1 320.433 2.754 10 0 DFAEMO OCCc1ccc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000616662387 399495791 /nfs/dbraw/zinc/49/57/91/399495791.db2.gz HONVWWSUHNUETA-HXUWFJFHSA-N 1 1 311.425 2.837 10 0 DFAEMO OCCc1ccccc1[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000616663267 399495990 /nfs/dbraw/zinc/49/59/90/399495990.db2.gz MZCHQBJEIDWZOV-LJQANCHMSA-N 1 1 311.425 2.837 10 0 DFAEMO CC(C)(C)OC(=O)NCC[C@H]1COCCC[N@H+]1C(C)(C)C ZINC000616645444 399494487 /nfs/dbraw/zinc/49/44/87/399494487.db2.gz LEMHELHGSUZPFB-ZDUSSCGKSA-N 1 1 300.443 2.791 10 0 DFAEMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1[C@@H](C(N)=O)C[C@H]2CCCC[C@H]21 ZINC000065499439 296344134 /nfs/dbraw/zinc/34/41/34/296344134.db2.gz HVODARJXFICTGP-HHARLNAUSA-N 1 1 308.466 2.700 10 0 DFAEMO CCC(CC)C[N@H+]1C[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2C1 ZINC000503720899 257208403 /nfs/dbraw/zinc/20/84/03/257208403.db2.gz XIIVJTYPFKQWQH-IRXDYDNUSA-N 1 1 323.506 2.773 10 0 DFAEMO Cc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)c(-c2ccnn2C)c1 ZINC000261961093 146309839 /nfs/dbraw/zinc/30/98/39/146309839.db2.gz PFYKQHPALVAJSL-SFHVURJKSA-N 1 1 312.461 2.955 10 0 DFAEMO CC[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)CCO1 ZINC000329339930 287282642 /nfs/dbraw/zinc/28/26/42/287282642.db2.gz NZEXOUITUHZLRV-XHSDSOJGSA-N 1 1 307.438 2.605 10 0 DFAEMO CC[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)CCO1 ZINC000329339930 287282645 /nfs/dbraw/zinc/28/26/45/287282645.db2.gz NZEXOUITUHZLRV-XHSDSOJGSA-N 1 1 307.438 2.605 10 0 DFAEMO COc1ccc(N[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1OC ZINC000011873680 425714106 /nfs/dbraw/zinc/71/41/06/425714106.db2.gz RIRNJECOVPUQSS-HNNXBMFYSA-N 1 1 320.433 2.759 10 0 DFAEMO C[NH2+]CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(Cl)c1 ZINC000033358710 425842020 /nfs/dbraw/zinc/84/20/20/425842020.db2.gz BKKAPFQCJDVXQI-XYPWUTKMSA-N 1 1 312.816 2.556 10 0 DFAEMO Cc1cccc2nc(CCC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[nH]c21 ZINC000162004114 426048154 /nfs/dbraw/zinc/04/81/54/426048154.db2.gz URHHXCAYCZAQDW-CQSZACIVSA-N 1 1 316.449 2.636 10 0 DFAEMO C[N@H+](Cc1ccncc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075507 426363593 /nfs/dbraw/zinc/36/35/93/426363593.db2.gz OMLUZXCRCASBKO-OAHLLOKOSA-N 1 1 305.422 2.770 10 0 DFAEMO O=C(N1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1)C(F)(F)F ZINC000095938238 426374673 /nfs/dbraw/zinc/37/46/73/426374673.db2.gz XOCKTOAXERLFSB-OAHLLOKOSA-N 1 1 312.335 2.816 10 0 DFAEMO OCC[C@@H]1C[N@@H+](CCc2ccccc2)CCN1Cc1ccccc1 ZINC000020776831 275047746 /nfs/dbraw/zinc/04/77/46/275047746.db2.gz GEJBXWPZUGXVHT-OAQYLSRUSA-N 1 1 324.468 2.798 10 0 DFAEMO OCC[C@@H]1CN(CCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000020776831 275047747 /nfs/dbraw/zinc/04/77/47/275047747.db2.gz GEJBXWPZUGXVHT-OAQYLSRUSA-N 1 1 324.468 2.798 10 0 DFAEMO OCC[C@@H]1CN(CCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000020776831 275047748 /nfs/dbraw/zinc/04/77/48/275047748.db2.gz GEJBXWPZUGXVHT-OAQYLSRUSA-N 1 1 324.468 2.798 10 0 DFAEMO Cc1c[nH+]c(CCNC(=O)COc2ccc(F)cc2)n1C(C)C ZINC000575317705 430078715 /nfs/dbraw/zinc/07/87/15/430078715.db2.gz XMPMILVJDLKISR-UHFFFAOYSA-N 1 1 319.380 2.649 10 0 DFAEMO COc1cccc2cc(N3CCC4(CC3)OCCO4)[nH+]cc21 ZINC000584615487 337372680 /nfs/dbraw/zinc/37/26/80/337372680.db2.gz KCRDOPHGHJJXLU-UHFFFAOYSA-N 1 1 300.358 2.587 10 0 DFAEMO COc1cccc([C@@H](C[NH+]2CCC2)NC(=O)OC(C)(C)C)c1 ZINC000584644118 337380286 /nfs/dbraw/zinc/38/02/86/337380286.db2.gz VCXSFKOHEWHRDU-OAHLLOKOSA-N 1 1 306.406 2.967 10 0 DFAEMO O=C(C[C@@H]1CCCCNC1=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000328787272 534686227 /nfs/dbraw/zinc/68/62/27/534686227.db2.gz OWCPINMUEHTDNM-HNNXBMFYSA-N 1 1 321.465 2.610 10 0 DFAEMO C[C@H](CC(=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390210700 598163280 /nfs/dbraw/zinc/16/32/80/598163280.db2.gz XLGBEUWTDJJFGQ-HZTRTUMWSA-N 1 1 302.418 2.635 10 0 DFAEMO