smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093190978 415188428 /nfs/dbraw/zinc/18/84/28/415188428.db2.gz NDDRDCLETKZZLY-HNNXBMFYSA-N 2 1 337.468 -1.001 20 0 EAADMP CN1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000093190978 415188406 /nfs/dbraw/zinc/18/84/06/415188406.db2.gz NDDRDCLETKZZLY-HNNXBMFYSA-N 2 1 337.468 -1.001 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093190980 374882087 /nfs/dbraw/zinc/88/20/87/374882087.db2.gz NDDRDCLETKZZLY-OAHLLOKOSA-N 2 1 337.468 -1.001 20 0 EAADMP CN1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000093190980 374882078 /nfs/dbraw/zinc/88/20/78/374882078.db2.gz NDDRDCLETKZZLY-OAHLLOKOSA-N 2 1 337.468 -1.001 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000153222898 545699683 /nfs/dbraw/zinc/69/96/83/545699683.db2.gz SAIXXLWULACMAH-HNNXBMFYSA-N 2 1 337.468 -1.001 20 0 EAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000153222898 545699680 /nfs/dbraw/zinc/69/96/80/545699680.db2.gz SAIXXLWULACMAH-HNNXBMFYSA-N 2 1 337.468 -1.001 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000153222999 545699554 /nfs/dbraw/zinc/69/95/54/545699554.db2.gz SAIXXLWULACMAH-OAHLLOKOSA-N 2 1 337.468 -1.001 20 0 EAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000153222999 545699548 /nfs/dbraw/zinc/69/95/48/545699548.db2.gz SAIXXLWULACMAH-OAHLLOKOSA-N 2 1 337.468 -1.001 20 0 EAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000170368146 415224796 /nfs/dbraw/zinc/22/47/96/415224796.db2.gz XPTHBRKWHACKSE-UHFFFAOYSA-N 2 1 327.429 -2.154 20 0 EAADMP O=C1NC[C@@H]2CN(C/C=C/C[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175896676 265238063 /nfs/dbraw/zinc/23/80/63/265238063.db2.gz OYBHBNKWONJDQE-GEYXIOIISA-N 2 1 334.424 -1.039 20 0 EAADMP O=C1NC[C@@H]2CN(C/C=C/C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175896676 265238057 /nfs/dbraw/zinc/23/80/57/265238057.db2.gz OYBHBNKWONJDQE-GEYXIOIISA-N 2 1 334.424 -1.039 20 0 EAADMP CN(CCN1CCOCC1)CC(O)C[N@@H+](C)CCN1CCOCC1 ZINC000194475222 415219388 /nfs/dbraw/zinc/21/93/88/415219388.db2.gz QXYCZKHVKKJYJH-UHFFFAOYSA-N 2 1 344.500 -1.125 20 0 EAADMP CN1CCN(C(=O)[C@]2(CC(=O)N3CC[NH+](C)CC3)CC[NH2+]C2)CC1 ZINC000237192951 265140106 /nfs/dbraw/zinc/14/01/06/265140106.db2.gz OCLPDUJAOKNWGY-KRWDZBQOSA-N 2 1 337.468 -1.096 20 0 EAADMP CN1CCN(C(=O)[C@@]2(CC(=O)N3CC[NH+](C)CC3)CC[NH2+]C2)CC1 ZINC000237193100 414848207 /nfs/dbraw/zinc/84/82/07/414848207.db2.gz OCLPDUJAOKNWGY-QGZVFWFLSA-N 2 1 337.468 -1.096 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000247942533 265070296 /nfs/dbraw/zinc/07/02/96/265070296.db2.gz DDGKLQPWJBTZRI-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000247942538 265171003 /nfs/dbraw/zinc/17/10/03/265171003.db2.gz DDGKLQPWJBTZRI-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP O=C1NC[C@@H]2CN(C/C=C\C[N@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000255529275 265082568 /nfs/dbraw/zinc/08/25/68/265082568.db2.gz OYBHBNKWONJDQE-YZRRVPADSA-N 2 1 334.424 -1.039 20 0 EAADMP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261599543 374334565 /nfs/dbraw/zinc/33/45/65/374334565.db2.gz AUCYLAJNIKQFFE-CYBMUJFWSA-N 2 1 341.456 -1.242 20 0 EAADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000261606290 265208770 /nfs/dbraw/zinc/20/87/70/265208770.db2.gz CTFYRTLJWMYYME-AWEZNQCLSA-N 2 1 339.440 -1.536 20 0 EAADMP CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000261606293 265130655 /nfs/dbraw/zinc/13/06/55/265130655.db2.gz CTFYRTLJWMYYME-CQSZACIVSA-N 2 1 339.440 -1.536 20 0 EAADMP Cn1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(=O)n(C)c1=O ZINC000261927890 265061471 /nfs/dbraw/zinc/06/14/71/265061471.db2.gz CJEMBMFURBZOIF-CYBMUJFWSA-N 2 1 337.424 -1.097 20 0 EAADMP Cn1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c(=O)n(C)c1=O ZINC000261927891 374843663 /nfs/dbraw/zinc/84/36/63/374843663.db2.gz CJEMBMFURBZOIF-ZDUSSCGKSA-N 2 1 337.424 -1.097 20 0 EAADMP CC(C)NC(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262131320 265037252 /nfs/dbraw/zinc/03/72/52/265037252.db2.gz OATXLICEDGWCQY-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000262362321 265207138 /nfs/dbraw/zinc/20/71/38/265207138.db2.gz HCLBPNQRFBTRKV-UHFFFAOYSA-N 2 1 347.419 -1.478 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000262556853 265016384 /nfs/dbraw/zinc/01/63/84/265016384.db2.gz VDWPSCSNDGEOLZ-ARFHVFGLSA-N 2 1 340.468 -1.037 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C1 ZINC000262556855 265375338 /nfs/dbraw/zinc/37/53/38/265375338.db2.gz VDWPSCSNDGEOLZ-BZUAXINKSA-N 2 1 340.468 -1.037 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)C1 ZINC000262556859 414925720 /nfs/dbraw/zinc/92/57/20/414925720.db2.gz VDWPSCSNDGEOLZ-OAGGEKHMSA-N 2 1 340.468 -1.037 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000262556866 265027258 /nfs/dbraw/zinc/02/72/58/265027258.db2.gz VDWPSCSNDGEOLZ-XHSDSOJGSA-N 2 1 340.468 -1.037 20 0 EAADMP O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CNCCO1 ZINC000262660904 265196889 /nfs/dbraw/zinc/19/68/89/265196889.db2.gz FYROLWGAESIZMR-OLZOCXBDSA-N 2 1 326.397 -1.976 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000263239690 265372796 /nfs/dbraw/zinc/37/27/96/265372796.db2.gz KTNSVNXLCOSGPF-AWEZNQCLSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)C[NH3+] ZINC000274424362 374625467 /nfs/dbraw/zinc/62/54/67/374625467.db2.gz LZVYAXWEDLIZBK-CYBMUJFWSA-N 2 1 334.424 -1.217 20 0 EAADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)C[NH3+] ZINC000274424366 265073954 /nfs/dbraw/zinc/07/39/54/265073954.db2.gz LZVYAXWEDLIZBK-ZDUSSCGKSA-N 2 1 334.424 -1.217 20 0 EAADMP COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000292975401 374651883 /nfs/dbraw/zinc/65/18/83/374651883.db2.gz QKWBJHLWBOQRJO-QAETUUGQSA-N 2 1 338.404 -1.230 20 0 EAADMP COc1cc(C[NH+]2C[C@@H](O)[C@@H](O)C2)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975405 265269081 /nfs/dbraw/zinc/26/90/81/265269081.db2.gz QKWBJHLWBOQRJO-WNKDZCFJSA-N 2 1 338.404 -1.230 20 0 EAADMP COc1cc(C[NH+]2C[C@@H](O)[C@@H](O)C2)cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975405 265269074 /nfs/dbraw/zinc/26/90/74/265269074.db2.gz QKWBJHLWBOQRJO-WNKDZCFJSA-N 2 1 338.404 -1.230 20 0 EAADMP COc1cc(CN2C[C@@H](O)[C@@H](O)C2)cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000292975405 265269065 /nfs/dbraw/zinc/26/90/65/265269065.db2.gz QKWBJHLWBOQRJO-WNKDZCFJSA-N 2 1 338.404 -1.230 20 0 EAADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000303281348 414993084 /nfs/dbraw/zinc/99/30/84/414993084.db2.gz MFVXXBDILLBSHV-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000303281353 374664485 /nfs/dbraw/zinc/66/44/85/374664485.db2.gz MFVXXBDILLBSHV-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331688135 374740174 /nfs/dbraw/zinc/74/01/74/374740174.db2.gz AOVRRQLLXLSJBK-KFWWJZLASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000331688135 374740171 /nfs/dbraw/zinc/74/01/71/374740171.db2.gz AOVRRQLLXLSJBK-KFWWJZLASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000331688135 374740168 /nfs/dbraw/zinc/74/01/68/374740168.db2.gz AOVRRQLLXLSJBK-KFWWJZLASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000331688139 415073090 /nfs/dbraw/zinc/07/30/90/415073090.db2.gz AOVRRQLLXLSJBK-RRFJBIMHSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000331688139 415073085 /nfs/dbraw/zinc/07/30/85/415073085.db2.gz AOVRRQLLXLSJBK-RRFJBIMHSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000331688139 415073081 /nfs/dbraw/zinc/07/30/81/415073081.db2.gz AOVRRQLLXLSJBK-RRFJBIMHSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000331688140 415074574 /nfs/dbraw/zinc/07/45/74/415074574.db2.gz AOVRRQLLXLSJBK-ZNMIVQPWSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000331688140 415074571 /nfs/dbraw/zinc/07/45/71/415074571.db2.gz AOVRRQLLXLSJBK-ZNMIVQPWSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000331688140 415074566 /nfs/dbraw/zinc/07/45/66/415074566.db2.gz AOVRRQLLXLSJBK-ZNMIVQPWSA-N 2 1 337.468 -1.099 20 0 EAADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000331928518 415073403 /nfs/dbraw/zinc/07/34/03/415073403.db2.gz DEHJNABPLHTTBD-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP CC[NH+]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000331928518 415073398 /nfs/dbraw/zinc/07/33/98/415073398.db2.gz DEHJNABPLHTTBD-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP CC[N@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000331928518 415073393 /nfs/dbraw/zinc/07/33/93/415073393.db2.gz DEHJNABPLHTTBD-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000331980347 374740032 /nfs/dbraw/zinc/74/00/32/374740032.db2.gz NHQIQMMVOPTVBC-NSHDSACASA-N 2 1 333.458 -1.435 20 0 EAADMP CC(C)[C@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332012020 415071485 /nfs/dbraw/zinc/07/14/85/415071485.db2.gz TZYXYUKHSNNFKE-GFCCVEGCSA-N 2 1 333.458 -1.402 20 0 EAADMP CC(C)[C@@H]([NH3+])CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332013659 265156752 /nfs/dbraw/zinc/15/67/52/265156752.db2.gz TZYXYUKHSNNFKE-LBPRGKRZSA-N 2 1 333.458 -1.402 20 0 EAADMP C[C@@H](C[NH+](C)C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000332031057 265294496 /nfs/dbraw/zinc/29/44/96/265294496.db2.gz VYSYGFWXFHDKEV-NSHDSACASA-N 2 1 333.458 -1.435 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000332122871 415074141 /nfs/dbraw/zinc/07/41/41/415074141.db2.gz CKJWRIMWLREUDI-AJNGGQMLSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000332122871 415074137 /nfs/dbraw/zinc/07/41/37/415074137.db2.gz CKJWRIMWLREUDI-AJNGGQMLSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000332122880 264965109 /nfs/dbraw/zinc/96/51/09/264965109.db2.gz CKJWRIMWLREUDI-CBBWQLFWSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000332122880 264965105 /nfs/dbraw/zinc/96/51/05/264965105.db2.gz CKJWRIMWLREUDI-CBBWQLFWSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1C ZINC000332122887 264883896 /nfs/dbraw/zinc/88/38/96/264883896.db2.gz CKJWRIMWLREUDI-QPSCCSFWSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1C ZINC000332122887 264883893 /nfs/dbraw/zinc/88/38/93/264883893.db2.gz CKJWRIMWLREUDI-QPSCCSFWSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000332122896 415074446 /nfs/dbraw/zinc/07/44/46/415074446.db2.gz CKJWRIMWLREUDI-ZQDZILKHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000332122896 415074442 /nfs/dbraw/zinc/07/44/42/415074442.db2.gz CKJWRIMWLREUDI-ZQDZILKHSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332221533 265288780 /nfs/dbraw/zinc/28/87/80/265288780.db2.gz XYRYWYBIEBOCKK-ILXRZTDVSA-N 2 1 338.452 -1.031 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000332221550 265293415 /nfs/dbraw/zinc/29/34/15/265293415.db2.gz XYRYWYBIEBOCKK-KFWWJZLASA-N 2 1 338.452 -1.031 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000332221557 264676477 /nfs/dbraw/zinc/67/64/77/264676477.db2.gz XYRYWYBIEBOCKK-KKUMJFAQSA-N 2 1 338.452 -1.031 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000332221563 415072090 /nfs/dbraw/zinc/07/20/90/415072090.db2.gz XYRYWYBIEBOCKK-ZNMIVQPWSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332229355 415074463 /nfs/dbraw/zinc/07/44/63/415074463.db2.gz NXZAYDIKTZHWFM-BARDWOONSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332229355 415074459 /nfs/dbraw/zinc/07/44/59/415074459.db2.gz NXZAYDIKTZHWFM-BARDWOONSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332229356 374739988 /nfs/dbraw/zinc/73/99/88/374739988.db2.gz NXZAYDIKTZHWFM-LJISPDSOSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332229356 374739982 /nfs/dbraw/zinc/73/99/82/374739982.db2.gz NXZAYDIKTZHWFM-LJISPDSOSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332229358 374739850 /nfs/dbraw/zinc/73/98/50/374739850.db2.gz NXZAYDIKTZHWFM-LXTVHRRPSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332229358 374739845 /nfs/dbraw/zinc/73/98/45/374739845.db2.gz NXZAYDIKTZHWFM-LXTVHRRPSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H](C)[N@@H+]1CCO ZINC000332229360 374739525 /nfs/dbraw/zinc/73/95/25/374739525.db2.gz NXZAYDIKTZHWFM-XGUBFFRZSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H](C)[N@H+]1CCO ZINC000332229360 374739515 /nfs/dbraw/zinc/73/95/15/374739515.db2.gz NXZAYDIKTZHWFM-XGUBFFRZSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000332590214 415076581 /nfs/dbraw/zinc/07/65/81/415076581.db2.gz AGLIMRZHARDAGM-BARDWOONSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1C ZINC000332590214 415076576 /nfs/dbraw/zinc/07/65/76/415076576.db2.gz AGLIMRZHARDAGM-BARDWOONSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000332590215 265248458 /nfs/dbraw/zinc/24/84/58/265248458.db2.gz AGLIMRZHARDAGM-BYNSBNAKSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000332590215 265248454 /nfs/dbraw/zinc/24/84/54/265248454.db2.gz AGLIMRZHARDAGM-BYNSBNAKSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000332590216 374742378 /nfs/dbraw/zinc/74/23/78/374742378.db2.gz AGLIMRZHARDAGM-LXTVHRRPSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000332590216 374742372 /nfs/dbraw/zinc/74/23/72/374742372.db2.gz AGLIMRZHARDAGM-LXTVHRRPSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000332590217 265353095 /nfs/dbraw/zinc/35/30/95/265353095.db2.gz AGLIMRZHARDAGM-XQLPTFJDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C ZINC000332590217 265353091 /nfs/dbraw/zinc/35/30/91/265353091.db2.gz AGLIMRZHARDAGM-XQLPTFJDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](C)C[NH2+]1 ZINC000332594327 374741545 /nfs/dbraw/zinc/74/15/45/374741545.db2.gz DFMKMSQABGXYLL-CHWSQXEVSA-N 2 1 339.440 -1.525 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000332594337 415078327 /nfs/dbraw/zinc/07/83/27/415078327.db2.gz DFMKMSQABGXYLL-OLZOCXBDSA-N 2 1 339.440 -1.525 20 0 EAADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000332594338 415077087 /nfs/dbraw/zinc/07/70/87/415077087.db2.gz DFMKMSQABGXYLL-QWHCGFSZSA-N 2 1 339.440 -1.525 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000332594339 415078691 /nfs/dbraw/zinc/07/86/91/415078691.db2.gz DFMKMSQABGXYLL-STQMWFEESA-N 2 1 339.440 -1.525 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332623464 265367666 /nfs/dbraw/zinc/36/76/66/265367666.db2.gz IEBPMRQPHYEPAL-ILXRZTDVSA-N 2 1 338.452 -1.031 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332623465 265056748 /nfs/dbraw/zinc/05/67/48/265056748.db2.gz IEBPMRQPHYEPAL-KFWWJZLASA-N 2 1 338.452 -1.031 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000332623467 374740786 /nfs/dbraw/zinc/74/07/86/374740786.db2.gz IEBPMRQPHYEPAL-KKUMJFAQSA-N 2 1 338.452 -1.031 20 0 EAADMP CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000332623469 374742456 /nfs/dbraw/zinc/74/24/56/374742456.db2.gz IEBPMRQPHYEPAL-ZNMIVQPWSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C[C@@H](C)N1 ZINC000332643388 265236207 /nfs/dbraw/zinc/23/62/07/265236207.db2.gz VWSHHOGWWZFNNW-CHWSQXEVSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1CN(C)CCO1 ZINC000332918347 374412603 /nfs/dbraw/zinc/41/26/03/374412603.db2.gz FDPDYLMRIBXUAB-HZSPNIEDSA-N 2 1 342.440 -1.341 20 0 EAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000332918348 374411425 /nfs/dbraw/zinc/41/14/25/374411425.db2.gz FDPDYLMRIBXUAB-MCIONIFRSA-N 2 1 342.440 -1.341 20 0 EAADMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)[C@H]1CN(C)CCO1 ZINC000332918349 374411290 /nfs/dbraw/zinc/41/12/90/374411290.db2.gz FDPDYLMRIBXUAB-MGPQQGTHSA-N 2 1 342.440 -1.341 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000332918578 374827770 /nfs/dbraw/zinc/82/77/70/374827770.db2.gz HRNBCUKFCFAADB-UONOGXRCSA-N 2 1 340.424 -1.634 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000332918578 374827761 /nfs/dbraw/zinc/82/77/61/374827761.db2.gz HRNBCUKFCFAADB-UONOGXRCSA-N 2 1 340.424 -1.634 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000332918579 265386649 /nfs/dbraw/zinc/38/66/49/265386649.db2.gz HRNBCUKFCFAADB-ZIAGYGMSSA-N 2 1 340.424 -1.634 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000332918579 265386632 /nfs/dbraw/zinc/38/66/32/265386632.db2.gz HRNBCUKFCFAADB-ZIAGYGMSSA-N 2 1 340.424 -1.634 20 0 EAADMP C[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333292977 265319139 /nfs/dbraw/zinc/31/91/39/265319139.db2.gz IAZKCTDOFBVMJH-UHFFFAOYSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000333448051 265047154 /nfs/dbraw/zinc/04/71/54/265047154.db2.gz XCLOSPGVWLZZEF-UHFFFAOYSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@H+](CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000333448051 265047153 /nfs/dbraw/zinc/04/71/53/265047153.db2.gz XCLOSPGVWLZZEF-UHFFFAOYSA-N 2 1 345.469 -1.291 20 0 EAADMP O=C(NCC[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333498350 415081023 /nfs/dbraw/zinc/08/10/23/415081023.db2.gz FDPFQBSKLXKTFJ-GFCCVEGCSA-N 2 1 345.469 -1.385 20 0 EAADMP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333498351 265023372 /nfs/dbraw/zinc/02/33/72/265023372.db2.gz FDPFQBSKLXKTFJ-LBPRGKRZSA-N 2 1 345.469 -1.385 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333542492 415079621 /nfs/dbraw/zinc/07/96/21/415079621.db2.gz ODBFQSJUAQCEGI-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333542493 265037126 /nfs/dbraw/zinc/03/71/26/265037126.db2.gz ODBFQSJUAQCEGI-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333542494 415079418 /nfs/dbraw/zinc/07/94/18/415079418.db2.gz ODBFQSJUAQCEGI-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333542495 415081341 /nfs/dbraw/zinc/08/13/41/415081341.db2.gz ODBFQSJUAQCEGI-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333618350 265170730 /nfs/dbraw/zinc/17/07/30/265170730.db2.gz RHHPEFLZJBLQER-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@H](CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000333618352 265348305 /nfs/dbraw/zinc/34/83/05/265348305.db2.gz RHHPEFLZJBLQER-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333647075 545677440 /nfs/dbraw/zinc/67/74/40/545677440.db2.gz JEYMCGYYVHJHKN-AAEUAGOBSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333647080 545677381 /nfs/dbraw/zinc/67/73/81/545677381.db2.gz JEYMCGYYVHJHKN-DGCLKSJQSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333647081 265049961 /nfs/dbraw/zinc/04/99/61/265049961.db2.gz JEYMCGYYVHJHKN-WCQYABFASA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333647082 545676712 /nfs/dbraw/zinc/67/67/12/545676712.db2.gz JEYMCGYYVHJHKN-YPMHNXCESA-N 2 1 345.469 -1.244 20 0 EAADMP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333653962 374746017 /nfs/dbraw/zinc/74/60/17/374746017.db2.gz KHLXRRWTNQWVHO-GFCCVEGCSA-N 2 1 345.469 -1.243 20 0 EAADMP O=C(N[C@H]1CCCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333653968 374747857 /nfs/dbraw/zinc/74/78/57/374747857.db2.gz KHLXRRWTNQWVHO-LBPRGKRZSA-N 2 1 345.469 -1.243 20 0 EAADMP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333655806 545677094 /nfs/dbraw/zinc/67/70/94/545677094.db2.gz KPKSQWMKDYCYGM-NEPJUHHUSA-N 2 1 345.469 -1.115 20 0 EAADMP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333655808 265130095 /nfs/dbraw/zinc/13/00/95/265130095.db2.gz KPKSQWMKDYCYGM-NWDGAFQWSA-N 2 1 345.469 -1.115 20 0 EAADMP [NH3+][C@H]1CCC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333655809 265041975 /nfs/dbraw/zinc/04/19/75/265041975.db2.gz KPKSQWMKDYCYGM-RYUDHWBXSA-N 2 1 345.469 -1.115 20 0 EAADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333655811 545676653 /nfs/dbraw/zinc/67/66/53/545676653.db2.gz KPKSQWMKDYCYGM-VXGBXAGGSA-N 2 1 345.469 -1.115 20 0 EAADMP [NH3+]C1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333680700 265020197 /nfs/dbraw/zinc/02/01/97/265020197.db2.gz OTJLVQUQUOXTLU-UHFFFAOYSA-N 2 1 345.469 -1.115 20 0 EAADMP O=C(N[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333698123 265180045 /nfs/dbraw/zinc/18/00/45/265180045.db2.gz QLDHCWXGFGWHLX-LLVKDONJSA-N 2 1 331.442 -1.633 20 0 EAADMP O=C(N[C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333698150 374747411 /nfs/dbraw/zinc/74/74/11/374747411.db2.gz QLDHCWXGFGWHLX-NSHDSACASA-N 2 1 331.442 -1.633 20 0 EAADMP [NH3+]C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000333721088 415081321 /nfs/dbraw/zinc/08/13/21/415081321.db2.gz UPPVJFAMXYTANQ-UHFFFAOYSA-N 2 1 331.442 -1.503 20 0 EAADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333729080 415081105 /nfs/dbraw/zinc/08/11/05/415081105.db2.gz VWBHPMJKXUEPHX-NEPJUHHUSA-N 2 1 345.469 -1.257 20 0 EAADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333729081 415080948 /nfs/dbraw/zinc/08/09/48/415080948.db2.gz VWBHPMJKXUEPHX-NWDGAFQWSA-N 2 1 345.469 -1.257 20 0 EAADMP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333729082 265214588 /nfs/dbraw/zinc/21/45/88/265214588.db2.gz VWBHPMJKXUEPHX-RYUDHWBXSA-N 2 1 345.469 -1.257 20 0 EAADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333729083 265290487 /nfs/dbraw/zinc/29/04/87/265290487.db2.gz VWBHPMJKXUEPHX-VXGBXAGGSA-N 2 1 345.469 -1.257 20 0 EAADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333739684 415082298 /nfs/dbraw/zinc/08/22/98/415082298.db2.gz XKCFYEAONGSWCX-AAEUAGOBSA-N 2 1 345.469 -1.387 20 0 EAADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333739689 265296065 /nfs/dbraw/zinc/29/60/65/265296065.db2.gz XKCFYEAONGSWCX-DGCLKSJQSA-N 2 1 345.469 -1.387 20 0 EAADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333739690 415080935 /nfs/dbraw/zinc/08/09/35/415080935.db2.gz XKCFYEAONGSWCX-WCQYABFASA-N 2 1 345.469 -1.387 20 0 EAADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333739692 265141289 /nfs/dbraw/zinc/14/12/89/265141289.db2.gz XKCFYEAONGSWCX-YPMHNXCESA-N 2 1 345.469 -1.387 20 0 EAADMP CN1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000333777223 265178351 /nfs/dbraw/zinc/17/83/51/265178351.db2.gz ZOLURZSEHFQPFY-OLZOCXBDSA-N 2 1 340.424 -1.587 20 0 EAADMP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333813638 265153840 /nfs/dbraw/zinc/15/38/40/265153840.db2.gz JSQRPOHKFRVCHS-GFCCVEGCSA-N 2 1 345.469 -1.385 20 0 EAADMP O=C(NC[C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333813639 415081537 /nfs/dbraw/zinc/08/15/37/415081537.db2.gz JSQRPOHKFRVCHS-LBPRGKRZSA-N 2 1 345.469 -1.385 20 0 EAADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333835088 265356488 /nfs/dbraw/zinc/35/64/88/265356488.db2.gz NFXRIQQLRGXAGF-AAEUAGOBSA-N 2 1 345.469 -1.387 20 0 EAADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333835093 265361659 /nfs/dbraw/zinc/36/16/59/265361659.db2.gz NFXRIQQLRGXAGF-DGCLKSJQSA-N 2 1 345.469 -1.387 20 0 EAADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333835094 415079844 /nfs/dbraw/zinc/07/98/44/415079844.db2.gz NFXRIQQLRGXAGF-WCQYABFASA-N 2 1 345.469 -1.387 20 0 EAADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333835096 265297447 /nfs/dbraw/zinc/29/74/47/265297447.db2.gz NFXRIQQLRGXAGF-YPMHNXCESA-N 2 1 345.469 -1.387 20 0 EAADMP [NH3+]C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000333841800 415080255 /nfs/dbraw/zinc/08/02/55/415080255.db2.gz OJHXYCVVUIMTGR-GFCCVEGCSA-N 2 1 331.442 -1.648 20 0 EAADMP [NH3+]C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000333841809 374747712 /nfs/dbraw/zinc/74/77/12/374747712.db2.gz OJHXYCVVUIMTGR-LBPRGKRZSA-N 2 1 331.442 -1.648 20 0 EAADMP O=C(NC[C@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333845594 265293885 /nfs/dbraw/zinc/29/38/85/265293885.db2.gz PCKHJXXRVSDLPH-LLVKDONJSA-N 2 1 331.442 -1.633 20 0 EAADMP O=C(NC[C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333845596 415081617 /nfs/dbraw/zinc/08/16/17/415081617.db2.gz PCKHJXXRVSDLPH-NSHDSACASA-N 2 1 331.442 -1.633 20 0 EAADMP C[C@@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000333853894 415079746 /nfs/dbraw/zinc/07/97/46/415079746.db2.gz QNWWVUBPQZFKDC-NEPJUHHUSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000333853896 415080447 /nfs/dbraw/zinc/08/04/47/415080447.db2.gz QNWWVUBPQZFKDC-NWDGAFQWSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@H]1C[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000333853898 265386272 /nfs/dbraw/zinc/38/62/72/265386272.db2.gz QNWWVUBPQZFKDC-RYUDHWBXSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@@H]1C[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000333854258 265014304 /nfs/dbraw/zinc/01/43/04/265014304.db2.gz QNWWVUBPQZFKDC-VXGBXAGGSA-N 2 1 345.469 -1.244 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333874212 415081507 /nfs/dbraw/zinc/08/15/07/415081507.db2.gz VBWPZZFXSBXSOI-GDNZZTSVSA-N 2 1 329.426 -2.167 20 0 EAADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333951616 265113766 /nfs/dbraw/zinc/11/37/66/265113766.db2.gz ZEGFHDVBEQGJAY-GFCCVEGCSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333951616 265113763 /nfs/dbraw/zinc/11/37/63/265113763.db2.gz ZEGFHDVBEQGJAY-GFCCVEGCSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333951617 374746661 /nfs/dbraw/zinc/74/66/61/374746661.db2.gz ZEGFHDVBEQGJAY-LBPRGKRZSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333951617 374746653 /nfs/dbraw/zinc/74/66/53/374746653.db2.gz ZEGFHDVBEQGJAY-LBPRGKRZSA-N 2 1 345.469 -1.291 20 0 EAADMP COC(=O)CN(CCN1CCN(C)CC1)C(=O)[C@H]1CN(C)CCO1 ZINC000337069136 414912624 /nfs/dbraw/zinc/91/26/24/414912624.db2.gz MWWJGTYWTPMLRF-CQSZACIVSA-N 2 1 342.440 -1.434 20 0 EAADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000337390626 414913832 /nfs/dbraw/zinc/91/38/32/414913832.db2.gz KOVFPYFBCBGBOO-HNNXBMFYSA-N 2 1 329.445 -1.238 20 0 EAADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000337390627 264852293 /nfs/dbraw/zinc/85/22/93/264852293.db2.gz KOVFPYFBCBGBOO-OAHLLOKOSA-N 2 1 329.445 -1.238 20 0 EAADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000337987204 414917708 /nfs/dbraw/zinc/91/77/08/414917708.db2.gz WHHBSFJJEIANNJ-KBPBESRZSA-N 2 1 340.424 -2.210 20 0 EAADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000337987205 265317023 /nfs/dbraw/zinc/31/70/23/265317023.db2.gz WHHBSFJJEIANNJ-OKILXGFUSA-N 2 1 340.424 -2.210 20 0 EAADMP O=C(C[NH+]1CC[C@H](O)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000337987205 265317019 /nfs/dbraw/zinc/31/70/19/265317019.db2.gz WHHBSFJJEIANNJ-OKILXGFUSA-N 2 1 340.424 -2.210 20 0 EAADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000337987205 265317016 /nfs/dbraw/zinc/31/70/16/265317016.db2.gz WHHBSFJJEIANNJ-OKILXGFUSA-N 2 1 340.424 -2.210 20 0 EAADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000337987206 414917218 /nfs/dbraw/zinc/91/72/18/414917218.db2.gz WHHBSFJJEIANNJ-ZIAGYGMSSA-N 2 1 340.424 -2.210 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000338303991 265395155 /nfs/dbraw/zinc/39/51/55/265395155.db2.gz FWPQTUXYUGNXJI-CYBMUJFWSA-N 2 1 347.485 -1.344 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000338303991 265395153 /nfs/dbraw/zinc/39/51/53/265395153.db2.gz FWPQTUXYUGNXJI-CYBMUJFWSA-N 2 1 347.485 -1.344 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000338304003 265048784 /nfs/dbraw/zinc/04/87/84/265048784.db2.gz FWPQTUXYUGNXJI-ZDUSSCGKSA-N 2 1 347.485 -1.344 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000338304003 265048783 /nfs/dbraw/zinc/04/87/83/265048783.db2.gz FWPQTUXYUGNXJI-ZDUSSCGKSA-N 2 1 347.485 -1.344 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@@H+](CCO)CCN2CCOCC2)CC1 ZINC000338307976 545684272 /nfs/dbraw/zinc/68/42/72/545684272.db2.gz RCNMBWIJBMLLKE-UHFFFAOYSA-N 2 1 328.457 -1.223 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@H+](CCO)CCN2CCOCC2)CC1 ZINC000338307976 545684260 /nfs/dbraw/zinc/68/42/60/545684260.db2.gz RCNMBWIJBMLLKE-UHFFFAOYSA-N 2 1 328.457 -1.223 20 0 EAADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)CN1CCOCC1 ZINC000338322893 414918484 /nfs/dbraw/zinc/91/84/84/414918484.db2.gz UYSADOAODKLCCW-HNNXBMFYSA-N 2 1 328.457 -1.225 20 0 EAADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)CN1CCOCC1 ZINC000338322893 414918480 /nfs/dbraw/zinc/91/84/80/414918480.db2.gz UYSADOAODKLCCW-HNNXBMFYSA-N 2 1 328.457 -1.225 20 0 EAADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000338322896 265369906 /nfs/dbraw/zinc/36/99/06/265369906.db2.gz UYSADOAODKLCCW-OAHLLOKOSA-N 2 1 328.457 -1.225 20 0 EAADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000338322896 265369904 /nfs/dbraw/zinc/36/99/04/265369904.db2.gz UYSADOAODKLCCW-OAHLLOKOSA-N 2 1 328.457 -1.225 20 0 EAADMP C[C@H](CO)[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)[C@@H](C)CO)CC1 ZINC000338593081 414920650 /nfs/dbraw/zinc/92/06/50/414920650.db2.gz RCWZLRLTSYSIIO-OKILXGFUSA-N 2 1 344.456 -1.718 20 0 EAADMP C[C@H](CO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC1 ZINC000338593081 414920646 /nfs/dbraw/zinc/92/06/46/414920646.db2.gz RCWZLRLTSYSIIO-OKILXGFUSA-N 2 1 344.456 -1.718 20 0 EAADMP C[C@H](CO)[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC1 ZINC000338593082 265278964 /nfs/dbraw/zinc/27/89/64/265278964.db2.gz RCWZLRLTSYSIIO-ZIAGYGMSSA-N 2 1 344.456 -1.718 20 0 EAADMP CC[NH+](CC)CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000339583652 265100888 /nfs/dbraw/zinc/10/08/88/265100888.db2.gz XDPRPLWWGJDPCX-UHFFFAOYSA-N 2 1 341.456 -1.275 20 0 EAADMP C[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000339632228 265110206 /nfs/dbraw/zinc/11/02/06/265110206.db2.gz QWMNWKAXOWTHJS-UHFFFAOYSA-N 2 1 339.440 -1.523 20 0 EAADMP C[C@@H]1CN(C/C=C\C[N@H+]2C[C@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000340203051 265069160 /nfs/dbraw/zinc/06/91/60/265069160.db2.gz GYMABJUISKZZOT-JHHQQSIVSA-N 2 1 340.424 -1.308 20 0 EAADMP C[C@@H]1CN(C/C=C\C[N@@H+]2C[C@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000340203051 265069157 /nfs/dbraw/zinc/06/91/57/265069157.db2.gz GYMABJUISKZZOT-JHHQQSIVSA-N 2 1 340.424 -1.308 20 0 EAADMP C[C@@H]1C[N@H+](C/C=C\CN2C[C@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000340203051 265069155 /nfs/dbraw/zinc/06/91/55/265069155.db2.gz GYMABJUISKZZOT-JHHQQSIVSA-N 2 1 340.424 -1.308 20 0 EAADMP C[C@@H]1C[N@@H+](C/C=C\CN2C[C@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000340203051 265069151 /nfs/dbraw/zinc/06/91/51/265069151.db2.gz GYMABJUISKZZOT-JHHQQSIVSA-N 2 1 340.424 -1.308 20 0 EAADMP CN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340235695 414976059 /nfs/dbraw/zinc/97/60/59/414976059.db2.gz IXWDREFMCFMPGY-UHFFFAOYSA-N 2 1 327.429 -1.713 20 0 EAADMP C[N@@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000340236738 265030162 /nfs/dbraw/zinc/03/01/62/265030162.db2.gz PTPLAZNALQOABA-UHFFFAOYSA-N 2 1 339.440 -1.523 20 0 EAADMP C[N@H+](CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000340236738 265030160 /nfs/dbraw/zinc/03/01/60/265030160.db2.gz PTPLAZNALQOABA-UHFFFAOYSA-N 2 1 339.440 -1.523 20 0 EAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340237857 265248790 /nfs/dbraw/zinc/24/87/90/265248790.db2.gz VCAFCKBSXRRGKP-CYBMUJFWSA-N 2 1 341.456 -1.277 20 0 EAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000340237858 265072395 /nfs/dbraw/zinc/07/23/95/265072395.db2.gz VCAFCKBSXRRGKP-ZDUSSCGKSA-N 2 1 341.456 -1.277 20 0 EAADMP COCCN1CC[C@@H](NC(=O)C(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000340250947 265354196 /nfs/dbraw/zinc/35/41/96/265354196.db2.gz QHSSOUUWCLAZCN-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000340266612 265347100 /nfs/dbraw/zinc/34/71/00/265347100.db2.gz YVWZGCSNMFMIGX-ZDUSSCGKSA-N 2 1 330.429 -1.482 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000340575730 265178188 /nfs/dbraw/zinc/17/81/88/265178188.db2.gz QEIIESCKPOYKPH-AWEZNQCLSA-N 2 1 343.472 -1.567 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000340575730 265178186 /nfs/dbraw/zinc/17/81/86/265178186.db2.gz QEIIESCKPOYKPH-AWEZNQCLSA-N 2 1 343.472 -1.567 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000340575731 414992673 /nfs/dbraw/zinc/99/26/73/414992673.db2.gz QEIIESCKPOYKPH-CQSZACIVSA-N 2 1 343.472 -1.567 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000340575731 414992665 /nfs/dbraw/zinc/99/26/65/414992665.db2.gz QEIIESCKPOYKPH-CQSZACIVSA-N 2 1 343.472 -1.567 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000340575731 414992661 /nfs/dbraw/zinc/99/26/61/414992661.db2.gz QEIIESCKPOYKPH-CQSZACIVSA-N 2 1 343.472 -1.567 20 0 EAADMP COCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCOC)CC1 ZINC000340766561 265069180 /nfs/dbraw/zinc/06/91/80/265069180.db2.gz GCTDXBXUFUADBD-UHFFFAOYSA-N 2 1 344.456 -1.186 20 0 EAADMP COCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCOC)CC1 ZINC000340766561 265069177 /nfs/dbraw/zinc/06/91/77/265069177.db2.gz GCTDXBXUFUADBD-UHFFFAOYSA-N 2 1 344.456 -1.186 20 0 EAADMP CC(C)NC(=O)CN(C)CC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000341066187 265287291 /nfs/dbraw/zinc/28/72/91/265287291.db2.gz KBGJZKFNLXLIJG-CYBMUJFWSA-N 2 1 341.456 -1.101 20 0 EAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000341290445 414997740 /nfs/dbraw/zinc/99/77/40/414997740.db2.gz PRQLNTRIJKDGFO-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000341290446 265109792 /nfs/dbraw/zinc/10/97/92/265109792.db2.gz PRQLNTRIJKDGFO-OKILXGFUSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000341290446 265109790 /nfs/dbraw/zinc/10/97/90/265109790.db2.gz PRQLNTRIJKDGFO-OKILXGFUSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000341290446 265109786 /nfs/dbraw/zinc/10/97/86/265109786.db2.gz PRQLNTRIJKDGFO-OKILXGFUSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000341290447 374664104 /nfs/dbraw/zinc/66/41/04/374664104.db2.gz PRQLNTRIJKDGFO-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@H+](C)C1CC1 ZINC000342094400 265157817 /nfs/dbraw/zinc/15/78/17/265157817.db2.gz YAOPYWYXFPFQRX-GXTWGEPZSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094400 265157814 /nfs/dbraw/zinc/15/78/14/265157814.db2.gz YAOPYWYXFPFQRX-GXTWGEPZSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@@H+](C)C1CC1 ZINC000342094401 415003019 /nfs/dbraw/zinc/00/30/19/415003019.db2.gz YAOPYWYXFPFQRX-JSGCOSHPSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+](C)C1CC1 ZINC000342094401 415003011 /nfs/dbraw/zinc/00/30/11/415003011.db2.gz YAOPYWYXFPFQRX-JSGCOSHPSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094401 415003003 /nfs/dbraw/zinc/00/30/03/415003003.db2.gz YAOPYWYXFPFQRX-JSGCOSHPSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+](C)C1CC1 ZINC000342094402 265079693 /nfs/dbraw/zinc/07/96/93/265079693.db2.gz YAOPYWYXFPFQRX-OCCSQVGLSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094402 265079690 /nfs/dbraw/zinc/07/96/90/265079690.db2.gz YAOPYWYXFPFQRX-OCCSQVGLSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@@H+](C)C1CC1 ZINC000342094403 265014427 /nfs/dbraw/zinc/01/44/27/265014427.db2.gz YAOPYWYXFPFQRX-TZMCWYRMSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[N@H+](C)C1CC1 ZINC000342094403 265014423 /nfs/dbraw/zinc/01/44/23/265014423.db2.gz YAOPYWYXFPFQRX-TZMCWYRMSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+](C)C1CC1 ZINC000342094403 265014418 /nfs/dbraw/zinc/01/44/18/265014418.db2.gz YAOPYWYXFPFQRX-TZMCWYRMSA-N 2 1 325.457 -1.053 20 0 EAADMP CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@H](O)C[C@H]2CO)C1 ZINC000342552709 265162390 /nfs/dbraw/zinc/16/23/90/265162390.db2.gz QEGZQPPYJNGWEO-RRFJBIMHSA-N 2 1 329.441 -1.113 20 0 EAADMP CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H](O)C[C@H]2CO)C1 ZINC000342552711 265366276 /nfs/dbraw/zinc/36/62/76/265366276.db2.gz QEGZQPPYJNGWEO-SOUVJXGZSA-N 2 1 329.441 -1.113 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](O)C[C@H]2CO)C1 ZINC000342552711 265366273 /nfs/dbraw/zinc/36/62/73/265366273.db2.gz QEGZQPPYJNGWEO-SOUVJXGZSA-N 2 1 329.441 -1.113 20 0 EAADMP COCCN1CC[C@H](NC(=O)C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000343885645 374692396 /nfs/dbraw/zinc/69/23/96/374692396.db2.gz HQDJWYJEGJGYRW-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000343885645 374692390 /nfs/dbraw/zinc/69/23/90/374692390.db2.gz HQDJWYJEGJGYRW-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCCN1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCOCC2)C1 ZINC000343909249 265339685 /nfs/dbraw/zinc/33/96/85/265339685.db2.gz KIPIPYUCCLEFKQ-CQSZACIVSA-N 2 1 342.440 -1.386 20 0 EAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCOCC2)C1 ZINC000343909249 265339680 /nfs/dbraw/zinc/33/96/80/265339680.db2.gz KIPIPYUCCLEFKQ-CQSZACIVSA-N 2 1 342.440 -1.386 20 0 EAADMP CCN1CCN(CC(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000345035057 265095586 /nfs/dbraw/zinc/09/55/86/265095586.db2.gz OLMCUUNGSRUFJJ-HNNXBMFYSA-N 2 1 328.457 -1.225 20 0 EAADMP COC(=O)CNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345181584 374699828 /nfs/dbraw/zinc/69/98/28/374699828.db2.gz BTFRBDSXCOBMPC-UHFFFAOYSA-N 2 1 328.413 -1.335 20 0 EAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCOCC[NH+](C)C)n1C ZINC000346596708 265248629 /nfs/dbraw/zinc/24/86/29/265248629.db2.gz UGBVCNLVRCNZTJ-UHFFFAOYSA-N 2 1 340.428 -1.203 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC(=O)NCCN2CCOCC2)C1 ZINC000346938979 265166138 /nfs/dbraw/zinc/16/61/38/265166138.db2.gz QMMUQFWPQVDFEY-CYBMUJFWSA-N 2 1 328.413 -1.728 20 0 EAADMP CC[N@@H+](CCO)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000347054133 265353729 /nfs/dbraw/zinc/35/37/29/265353729.db2.gz MOYYQZGURCNVLL-UHFFFAOYSA-N 2 1 329.445 -1.236 20 0 EAADMP CC[N@H+](CCO)CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000347054133 265353724 /nfs/dbraw/zinc/35/37/24/265353724.db2.gz MOYYQZGURCNVLL-UHFFFAOYSA-N 2 1 329.445 -1.236 20 0 EAADMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000347054362 265084708 /nfs/dbraw/zinc/08/47/08/265084708.db2.gz NODCLYOKFWRJKW-UHFFFAOYSA-N 2 1 329.445 -1.190 20 0 EAADMP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000347054362 265084705 /nfs/dbraw/zinc/08/47/05/265084705.db2.gz NODCLYOKFWRJKW-UHFFFAOYSA-N 2 1 329.445 -1.190 20 0 EAADMP Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000347121463 374710503 /nfs/dbraw/zinc/71/05/03/374710503.db2.gz PAUYYUMXEKQHSZ-CYBMUJFWSA-N 2 1 349.435 -1.272 20 0 EAADMP OC[C@H]1CC[C@@H](CO)[NH+]1CCOCC[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305056 265128651 /nfs/dbraw/zinc/12/86/51/265128651.db2.gz IEYYAWXLFGKDSN-GEEKYZPCSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CNC(=O)CN)CC1 ZINC000347610697 265169986 /nfs/dbraw/zinc/16/99/86/265169986.db2.gz GIEMWZQNQTWOKQ-GFCCVEGCSA-N 2 1 325.413 -1.784 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347957329 415052063 /nfs/dbraw/zinc/05/20/63/415052063.db2.gz DGUBWLKOFSYDBN-BPLDGKMQSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347957329 415052061 /nfs/dbraw/zinc/05/20/61/415052061.db2.gz DGUBWLKOFSYDBN-BPLDGKMQSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347957329 415052059 /nfs/dbraw/zinc/05/20/59/415052059.db2.gz DGUBWLKOFSYDBN-BPLDGKMQSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347957330 265377788 /nfs/dbraw/zinc/37/77/88/265377788.db2.gz DGUBWLKOFSYDBN-SNPRPXQTSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347957330 265377787 /nfs/dbraw/zinc/37/77/87/265377787.db2.gz DGUBWLKOFSYDBN-SNPRPXQTSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347957330 265377783 /nfs/dbraw/zinc/37/77/83/265377783.db2.gz DGUBWLKOFSYDBN-SNPRPXQTSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347957331 415050454 /nfs/dbraw/zinc/05/04/54/415050454.db2.gz DGUBWLKOFSYDBN-VHDGCEQUSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347957331 415050444 /nfs/dbraw/zinc/05/04/44/415050444.db2.gz DGUBWLKOFSYDBN-VHDGCEQUSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347957331 415050434 /nfs/dbraw/zinc/05/04/34/415050434.db2.gz DGUBWLKOFSYDBN-VHDGCEQUSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347957332 265253883 /nfs/dbraw/zinc/25/38/83/265253883.db2.gz DGUBWLKOFSYDBN-YUELXQCFSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347957332 265253880 /nfs/dbraw/zinc/25/38/80/265253880.db2.gz DGUBWLKOFSYDBN-YUELXQCFSA-N 2 1 337.468 -1.053 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347957332 265253878 /nfs/dbraw/zinc/25/38/78/265253878.db2.gz DGUBWLKOFSYDBN-YUELXQCFSA-N 2 1 337.468 -1.053 20 0 EAADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347960495 265218215 /nfs/dbraw/zinc/21/82/15/265218215.db2.gz HHXLBXVNXAAUDR-AWEZNQCLSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347960495 265218213 /nfs/dbraw/zinc/21/82/13/265218213.db2.gz HHXLBXVNXAAUDR-AWEZNQCLSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347960495 265218211 /nfs/dbraw/zinc/21/82/11/265218211.db2.gz HHXLBXVNXAAUDR-AWEZNQCLSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347960496 374714895 /nfs/dbraw/zinc/71/48/95/374714895.db2.gz HHXLBXVNXAAUDR-CQSZACIVSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347960496 374714886 /nfs/dbraw/zinc/71/48/86/374714886.db2.gz HHXLBXVNXAAUDR-CQSZACIVSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347960496 374714878 /nfs/dbraw/zinc/71/48/78/374714878.db2.gz HHXLBXVNXAAUDR-CQSZACIVSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347962500 265104953 /nfs/dbraw/zinc/10/49/53/265104953.db2.gz JDEDYBMMUKMIJA-AWEZNQCLSA-N 2 1 325.457 -1.097 20 0 EAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347962609 265268260 /nfs/dbraw/zinc/26/82/60/265268260.db2.gz JDEDYBMMUKMIJA-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347963067 415052094 /nfs/dbraw/zinc/05/20/94/415052094.db2.gz JOIHAJQORUKKLG-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347963067 415052093 /nfs/dbraw/zinc/05/20/93/415052093.db2.gz JOIHAJQORUKKLG-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347963067 415052092 /nfs/dbraw/zinc/05/20/92/415052092.db2.gz JOIHAJQORUKKLG-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347963581 265007888 /nfs/dbraw/zinc/00/78/88/265007888.db2.gz JOIHAJQORUKKLG-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347963581 265007887 /nfs/dbraw/zinc/00/78/87/265007887.db2.gz JOIHAJQORUKKLG-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347963581 265007883 /nfs/dbraw/zinc/00/78/83/265007883.db2.gz JOIHAJQORUKKLG-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347963582 265329415 /nfs/dbraw/zinc/32/94/15/265329415.db2.gz JOIHAJQORUKKLG-UONOGXRCSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347963582 265329409 /nfs/dbraw/zinc/32/94/09/265329409.db2.gz JOIHAJQORUKKLG-UONOGXRCSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347963583 374714041 /nfs/dbraw/zinc/71/40/41/374714041.db2.gz JOIHAJQORUKKLG-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347963583 374714038 /nfs/dbraw/zinc/71/40/38/374714038.db2.gz JOIHAJQORUKKLG-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347963583 374714032 /nfs/dbraw/zinc/71/40/32/374714032.db2.gz JOIHAJQORUKKLG-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH+]1C ZINC000347964338 265361025 /nfs/dbraw/zinc/36/10/25/265361025.db2.gz JDMUGUGXGKWTCF-HZSPNIEDSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH+]1C ZINC000347964338 265361021 /nfs/dbraw/zinc/36/10/21/265361021.db2.gz JDMUGUGXGKWTCF-HZSPNIEDSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CCC[N@H+]1C ZINC000347964338 265361018 /nfs/dbraw/zinc/36/10/18/265361018.db2.gz JDMUGUGXGKWTCF-HZSPNIEDSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH+]1C ZINC000347964339 415052132 /nfs/dbraw/zinc/05/21/32/415052132.db2.gz JDMUGUGXGKWTCF-MCIONIFRSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH+]1C ZINC000347964339 415052131 /nfs/dbraw/zinc/05/21/31/415052131.db2.gz JDMUGUGXGKWTCF-MCIONIFRSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CCC[N@H+]1C ZINC000347964339 415052130 /nfs/dbraw/zinc/05/21/30/415052130.db2.gz JDMUGUGXGKWTCF-MCIONIFRSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH+]1C ZINC000347964340 374715480 /nfs/dbraw/zinc/71/54/80/374715480.db2.gz JDMUGUGXGKWTCF-MGPQQGTHSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC[NH+]1C ZINC000347964340 374715476 /nfs/dbraw/zinc/71/54/76/374715476.db2.gz JDMUGUGXGKWTCF-MGPQQGTHSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CCC[N@H+]1C ZINC000347964340 374715468 /nfs/dbraw/zinc/71/54/68/374715468.db2.gz JDMUGUGXGKWTCF-MGPQQGTHSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH+]1C ZINC000347964341 415050871 /nfs/dbraw/zinc/05/08/71/415050871.db2.gz JDMUGUGXGKWTCF-RDBSUJKOSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC[NH+]1C ZINC000347964341 415050866 /nfs/dbraw/zinc/05/08/66/415050866.db2.gz JDMUGUGXGKWTCF-RDBSUJKOSA-N 2 1 325.457 -1.053 20 0 EAADMP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CCC[N@H+]1C ZINC000347964341 415050861 /nfs/dbraw/zinc/05/08/61/415050861.db2.gz JDMUGUGXGKWTCF-RDBSUJKOSA-N 2 1 325.457 -1.053 20 0 EAADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347965525 265129003 /nfs/dbraw/zinc/12/90/03/265129003.db2.gz LKMWOWZTBMLWBW-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347965525 265129001 /nfs/dbraw/zinc/12/90/01/265129001.db2.gz LKMWOWZTBMLWBW-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347965531 374714149 /nfs/dbraw/zinc/71/41/49/374714149.db2.gz LKMWOWZTBMLWBW-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347965531 374714141 /nfs/dbraw/zinc/71/41/41/374714141.db2.gz LKMWOWZTBMLWBW-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347965531 374714136 /nfs/dbraw/zinc/71/41/36/374714136.db2.gz LKMWOWZTBMLWBW-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347965534 265218304 /nfs/dbraw/zinc/21/83/04/265218304.db2.gz LKMWOWZTBMLWBW-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347965534 265218300 /nfs/dbraw/zinc/21/83/00/265218300.db2.gz LKMWOWZTBMLWBW-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347965534 265218297 /nfs/dbraw/zinc/21/82/97/265218297.db2.gz LKMWOWZTBMLWBW-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347965538 415051733 /nfs/dbraw/zinc/05/17/33/415051733.db2.gz LKMWOWZTBMLWBW-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347965538 415051730 /nfs/dbraw/zinc/05/17/30/415051730.db2.gz LKMWOWZTBMLWBW-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347965538 415051727 /nfs/dbraw/zinc/05/17/27/415051727.db2.gz LKMWOWZTBMLWBW-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347969962 265331746 /nfs/dbraw/zinc/33/17/46/265331746.db2.gz PPWXLAAWJOEMIJ-AWEZNQCLSA-N 2 1 343.472 -1.615 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000347973335 265186443 /nfs/dbraw/zinc/18/64/43/265186443.db2.gz UEKHNTYZPYHWJE-HNNXBMFYSA-N 2 1 337.468 -1.097 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000347975631 265376515 /nfs/dbraw/zinc/37/65/15/265376515.db2.gz XEUZCXQGEUPBKP-AWEZNQCLSA-N 2 1 343.472 -1.567 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347975631 265376511 /nfs/dbraw/zinc/37/65/11/265376511.db2.gz XEUZCXQGEUPBKP-AWEZNQCLSA-N 2 1 343.472 -1.567 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347975631 265376507 /nfs/dbraw/zinc/37/65/07/265376507.db2.gz XEUZCXQGEUPBKP-AWEZNQCLSA-N 2 1 343.472 -1.567 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000347975632 374715797 /nfs/dbraw/zinc/71/57/97/374715797.db2.gz XEUZCXQGEUPBKP-CQSZACIVSA-N 2 1 343.472 -1.567 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347975632 374715792 /nfs/dbraw/zinc/71/57/92/374715792.db2.gz XEUZCXQGEUPBKP-CQSZACIVSA-N 2 1 343.472 -1.567 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347975632 374715788 /nfs/dbraw/zinc/71/57/88/374715788.db2.gz XEUZCXQGEUPBKP-CQSZACIVSA-N 2 1 343.472 -1.567 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000347975714 415050321 /nfs/dbraw/zinc/05/03/21/415050321.db2.gz YLGUEBHZBDNOEF-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000347975715 415051268 /nfs/dbraw/zinc/05/12/68/415051268.db2.gz YLGUEBHZBDNOEF-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000347975716 415052541 /nfs/dbraw/zinc/05/25/41/415052541.db2.gz YLGUEBHZBDNOEF-UONOGXRCSA-N 2 1 325.457 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000347975717 265329378 /nfs/dbraw/zinc/32/93/78/265329378.db2.gz YLGUEBHZBDNOEF-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP COC(=O)CNC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000347990543 374714668 /nfs/dbraw/zinc/71/46/68/374714668.db2.gz JHSQIARXXVXTTO-UHFFFAOYSA-N 2 1 340.424 -1.094 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000348371991 415054556 /nfs/dbraw/zinc/05/45/56/415054556.db2.gz HLTQMPVAAXNNIM-KBPBESRZSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000348371991 415054549 /nfs/dbraw/zinc/05/45/49/415054549.db2.gz HLTQMPVAAXNNIM-KBPBESRZSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000348371991 415054543 /nfs/dbraw/zinc/05/45/43/415054543.db2.gz HLTQMPVAAXNNIM-KBPBESRZSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000348371994 374717904 /nfs/dbraw/zinc/71/79/04/374717904.db2.gz HLTQMPVAAXNNIM-KGLIPLIRSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000348371994 374717896 /nfs/dbraw/zinc/71/78/96/374717896.db2.gz HLTQMPVAAXNNIM-KGLIPLIRSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000348371994 374717890 /nfs/dbraw/zinc/71/78/90/374717890.db2.gz HLTQMPVAAXNNIM-KGLIPLIRSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000348371996 415054145 /nfs/dbraw/zinc/05/41/45/415054145.db2.gz HLTQMPVAAXNNIM-UONOGXRCSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000348371996 415054140 /nfs/dbraw/zinc/05/41/40/415054140.db2.gz HLTQMPVAAXNNIM-UONOGXRCSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000348371996 415054133 /nfs/dbraw/zinc/05/41/33/415054133.db2.gz HLTQMPVAAXNNIM-UONOGXRCSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000348371997 415053468 /nfs/dbraw/zinc/05/34/68/415053468.db2.gz HLTQMPVAAXNNIM-ZIAGYGMSSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000348371997 415053461 /nfs/dbraw/zinc/05/34/61/415053461.db2.gz HLTQMPVAAXNNIM-ZIAGYGMSSA-N 2 1 340.472 -1.129 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000348371997 415053457 /nfs/dbraw/zinc/05/34/57/415053457.db2.gz HLTQMPVAAXNNIM-ZIAGYGMSSA-N 2 1 340.472 -1.129 20 0 EAADMP COCCNC(=O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351390075 265078112 /nfs/dbraw/zinc/07/81/12/265078112.db2.gz VGFCRVWHYLSVLZ-HNNXBMFYSA-N 2 1 328.457 -1.178 20 0 EAADMP CC(C)NC(=O)C(=O)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000351477134 265353531 /nfs/dbraw/zinc/35/35/31/265353531.db2.gz QGDKBZVZPBWEHP-UHFFFAOYSA-N 2 1 339.440 -1.523 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000351495082 415065676 /nfs/dbraw/zinc/06/56/76/415065676.db2.gz PBSURUUTZASHRH-KKUMJFAQSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000351495082 415065671 /nfs/dbraw/zinc/06/56/71/415065671.db2.gz PBSURUUTZASHRH-KKUMJFAQSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000351495083 415066017 /nfs/dbraw/zinc/06/60/17/415066017.db2.gz PBSURUUTZASHRH-RRFJBIMHSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000351495083 415066011 /nfs/dbraw/zinc/06/60/11/415066011.db2.gz PBSURUUTZASHRH-RRFJBIMHSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000351495084 374733338 /nfs/dbraw/zinc/73/33/38/374733338.db2.gz PBSURUUTZASHRH-SOUVJXGZSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000351495084 374733331 /nfs/dbraw/zinc/73/33/31/374733331.db2.gz PBSURUUTZASHRH-SOUVJXGZSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000351495085 265216602 /nfs/dbraw/zinc/21/66/02/265216602.db2.gz PBSURUUTZASHRH-ZNMIVQPWSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000351495085 265216599 /nfs/dbraw/zinc/21/65/99/265216599.db2.gz PBSURUUTZASHRH-ZNMIVQPWSA-N 2 1 337.468 -1.112 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351521599 265176695 /nfs/dbraw/zinc/17/66/95/265176695.db2.gz JMIPIYNSZMPTIW-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351521600 374734146 /nfs/dbraw/zinc/73/41/46/374734146.db2.gz JMIPIYNSZMPTIW-ZDUSSCGKSA-N 2 1 339.440 -1.523 20 0 EAADMP C[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000351526153 415065605 /nfs/dbraw/zinc/06/56/05/415065605.db2.gz WLIWQUPCQKCRMC-KGLIPLIRSA-N 2 1 325.457 -1.146 20 0 EAADMP C[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000351526154 265111870 /nfs/dbraw/zinc/11/18/70/265111870.db2.gz WLIWQUPCQKCRMC-UONOGXRCSA-N 2 1 325.457 -1.146 20 0 EAADMP C[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000351526155 264634799 /nfs/dbraw/zinc/63/47/99/264634799.db2.gz WLIWQUPCQKCRMC-ZIAGYGMSSA-N 2 1 325.457 -1.146 20 0 EAADMP CCN1CC[NH+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351527310 265352785 /nfs/dbraw/zinc/35/27/85/265352785.db2.gz ZMFHEUJMXXMJFG-AWEZNQCLSA-N 2 1 325.457 -1.002 20 0 EAADMP CCN1CC[NH+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351527311 415064400 /nfs/dbraw/zinc/06/44/00/415064400.db2.gz ZMFHEUJMXXMJFG-CQSZACIVSA-N 2 1 325.457 -1.002 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351539928 415065371 /nfs/dbraw/zinc/06/53/71/415065371.db2.gz NNALRIXZJBLALI-GFCCVEGCSA-N 2 1 325.413 -1.865 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351539930 415063751 /nfs/dbraw/zinc/06/37/51/415063751.db2.gz NNALRIXZJBLALI-LBPRGKRZSA-N 2 1 325.413 -1.865 20 0 EAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351545787 415066467 /nfs/dbraw/zinc/06/64/67/415066467.db2.gz XOORWCKBLSUEGN-NEPJUHHUSA-N 2 1 325.413 -1.689 20 0 EAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351545793 265388160 /nfs/dbraw/zinc/38/81/60/265388160.db2.gz XOORWCKBLSUEGN-NWDGAFQWSA-N 2 1 325.413 -1.689 20 0 EAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351545806 374735156 /nfs/dbraw/zinc/73/51/56/374735156.db2.gz XOORWCKBLSUEGN-RYUDHWBXSA-N 2 1 325.413 -1.689 20 0 EAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351545807 415065285 /nfs/dbraw/zinc/06/52/85/415065285.db2.gz XOORWCKBLSUEGN-VXGBXAGGSA-N 2 1 325.413 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C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857398 415068154 /nfs/dbraw/zinc/06/81/54/415068154.db2.gz XRBGGFLQBTXGNS-KBPBESRZSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857401 415069483 /nfs/dbraw/zinc/06/94/83/415069483.db2.gz XRBGGFLQBTXGNS-KGLIPLIRSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857401 415069478 /nfs/dbraw/zinc/06/94/78/415069478.db2.gz XRBGGFLQBTXGNS-KGLIPLIRSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857403 415069708 /nfs/dbraw/zinc/06/97/08/415069708.db2.gz XRBGGFLQBTXGNS-UONOGXRCSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857403 415069702 /nfs/dbraw/zinc/06/97/02/415069702.db2.gz XRBGGFLQBTXGNS-UONOGXRCSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857404 415068906 /nfs/dbraw/zinc/06/89/06/415068906.db2.gz XRBGGFLQBTXGNS-ZIAGYGMSSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000351857404 415068898 /nfs/dbraw/zinc/06/88/98/415068898.db2.gz XRBGGFLQBTXGNS-ZIAGYGMSSA-N 2 1 325.457 -1.112 20 0 EAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352097626 415076384 /nfs/dbraw/zinc/07/63/84/415076384.db2.gz URFLVSISMFQYNF-GXTWGEPZSA-N 2 1 341.456 -1.211 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352097627 415078570 /nfs/dbraw/zinc/07/85/70/415078570.db2.gz URFLVSISMFQYNF-JSGCOSHPSA-N 2 1 341.456 -1.211 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352097628 265354837 /nfs/dbraw/zinc/35/48/37/265354837.db2.gz URFLVSISMFQYNF-OCCSQVGLSA-N 2 1 341.456 -1.211 20 0 EAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352097629 265372242 /nfs/dbraw/zinc/37/22/42/265372242.db2.gz URFLVSISMFQYNF-TZMCWYRMSA-N 2 1 341.456 -1.211 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000352103116 265255717 /nfs/dbraw/zinc/25/57/17/265255717.db2.gz YLJAGQYXPAWDAC-AAEUAGOBSA-N 2 1 327.429 -1.458 20 0 EAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000352103117 265132759 /nfs/dbraw/zinc/13/27/59/265132759.db2.gz YLJAGQYXPAWDAC-DGCLKSJQSA-N 2 1 327.429 -1.458 20 0 EAADMP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000352103118 265393605 /nfs/dbraw/zinc/39/36/05/265393605.db2.gz YLJAGQYXPAWDAC-WCQYABFASA-N 2 1 327.429 -1.458 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000352103119 374744967 /nfs/dbraw/zinc/74/49/67/374744967.db2.gz YLJAGQYXPAWDAC-YPMHNXCESA-N 2 1 327.429 -1.458 20 0 EAADMP CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1 ZINC000353502272 265382660 /nfs/dbraw/zinc/38/26/60/265382660.db2.gz OWWSFMVVMZFRBE-LBPRGKRZSA-N 2 1 327.429 -1.408 20 0 EAADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC1=O ZINC000354129663 265060305 /nfs/dbraw/zinc/06/03/05/265060305.db2.gz FIEKHWPAWWTIMK-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1=O ZINC000354129665 265330645 /nfs/dbraw/zinc/33/06/45/265330645.db2.gz FIEKHWPAWWTIMK-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP NC(=O)[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](C(N)=O)C2)CCO1 ZINC000354394585 415090375 /nfs/dbraw/zinc/09/03/75/415090375.db2.gz POFFQGPEYLEINA-CHWSQXEVSA-N 2 1 328.413 -1.471 20 0 EAADMP NC(=O)[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](C(N)=O)C2)CCO1 ZINC000354394585 415090362 /nfs/dbraw/zinc/09/03/62/415090362.db2.gz POFFQGPEYLEINA-CHWSQXEVSA-N 2 1 328.413 -1.471 20 0 EAADMP NC(=O)[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000354394587 265016215 /nfs/dbraw/zinc/01/62/15/265016215.db2.gz POFFQGPEYLEINA-STQMWFEESA-N 2 1 328.413 -1.471 20 0 EAADMP NC(=O)[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000354394587 265016210 /nfs/dbraw/zinc/01/62/10/265016210.db2.gz POFFQGPEYLEINA-STQMWFEESA-N 2 1 328.413 -1.471 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354683750 415095135 /nfs/dbraw/zinc/09/51/35/415095135.db2.gz CQRBFALYKFNPPV-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354683756 265112298 /nfs/dbraw/zinc/11/22/98/265112298.db2.gz CQRBFALYKFNPPV-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354694218 265096211 /nfs/dbraw/zinc/09/62/11/265096211.db2.gz ZOZJDOMFHDEFDG-CYBMUJFWSA-N 2 1 325.457 -1.051 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354694232 415093517 /nfs/dbraw/zinc/09/35/17/415093517.db2.gz ZOZJDOMFHDEFDG-ZDUSSCGKSA-N 2 1 325.457 -1.051 20 0 EAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354699702 264975894 /nfs/dbraw/zinc/97/58/94/264975894.db2.gz WCXKMIGQEFJSLY-CHWSQXEVSA-N 2 1 339.440 -1.299 20 0 EAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354699710 415092103 /nfs/dbraw/zinc/09/21/03/415092103.db2.gz WCXKMIGQEFJSLY-OLZOCXBDSA-N 2 1 339.440 -1.299 20 0 EAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354699712 415093838 /nfs/dbraw/zinc/09/38/38/415093838.db2.gz WCXKMIGQEFJSLY-QWHCGFSZSA-N 2 1 339.440 -1.299 20 0 EAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354699713 415094582 /nfs/dbraw/zinc/09/45/82/415094582.db2.gz WCXKMIGQEFJSLY-STQMWFEESA-N 2 1 339.440 -1.299 20 0 EAADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354741864 415094513 /nfs/dbraw/zinc/09/45/13/415094513.db2.gz PFCSRIMWZWZVBG-KBPBESRZSA-N 2 1 325.457 -1.003 20 0 EAADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354741871 415092217 /nfs/dbraw/zinc/09/22/17/415092217.db2.gz PFCSRIMWZWZVBG-KGLIPLIRSA-N 2 1 325.457 -1.003 20 0 EAADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354741877 265338611 /nfs/dbraw/zinc/33/86/11/265338611.db2.gz PFCSRIMWZWZVBG-UONOGXRCSA-N 2 1 325.457 -1.003 20 0 EAADMP C[C@@H](CN1CCN(C)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354741877 265338609 /nfs/dbraw/zinc/33/86/09/265338609.db2.gz PFCSRIMWZWZVBG-UONOGXRCSA-N 2 1 325.457 -1.003 20 0 EAADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354741881 265061256 /nfs/dbraw/zinc/06/12/56/265061256.db2.gz PFCSRIMWZWZVBG-ZIAGYGMSSA-N 2 1 325.457 -1.003 20 0 EAADMP O[C@H](CN1CCOCC1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354902191 415093380 /nfs/dbraw/zinc/09/33/80/415093380.db2.gz FIMNIVQCTHYHLU-INIZCTEOSA-N 2 1 343.468 -1.161 20 0 EAADMP O[C@@H](CN1CCOCC1)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354902192 265350175 /nfs/dbraw/zinc/35/01/75/265350175.db2.gz FIMNIVQCTHYHLU-MRXNPFEDSA-N 2 1 343.468 -1.161 20 0 EAADMP CC[NH+](CCO)CC(=O)N1CCN(C(=O)C[N@@H+](CC)CCO)CC1 ZINC000355512654 415095790 /nfs/dbraw/zinc/09/57/90/415095790.db2.gz UQJGJTDWYZAKDE-UHFFFAOYSA-N 2 1 344.456 -1.714 20 0 EAADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000356955083 265087201 /nfs/dbraw/zinc/08/72/01/265087201.db2.gz FDIDAKJHVBFIGB-UHFFFAOYSA-N 2 1 339.440 -1.665 20 0 EAADMP Cn1c2ncn(CC[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000357084335 265340922 /nfs/dbraw/zinc/34/09/22/265340922.db2.gz PSBMRLRBSRKPNT-NEPJUHHUSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000357084335 265340920 /nfs/dbraw/zinc/34/09/20/265340920.db2.gz PSBMRLRBSRKPNT-NEPJUHHUSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000357084338 265354639 /nfs/dbraw/zinc/35/46/39/265354639.db2.gz PSBMRLRBSRKPNT-NWDGAFQWSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000357084338 265354637 /nfs/dbraw/zinc/35/46/37/265354637.db2.gz PSBMRLRBSRKPNT-NWDGAFQWSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000357084339 265189002 /nfs/dbraw/zinc/18/90/02/265189002.db2.gz PSBMRLRBSRKPNT-RYUDHWBXSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000357084339 265188998 /nfs/dbraw/zinc/18/89/98/265188998.db2.gz PSBMRLRBSRKPNT-RYUDHWBXSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000357084341 265242508 /nfs/dbraw/zinc/24/25/08/265242508.db2.gz PSBMRLRBSRKPNT-VXGBXAGGSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000357084341 265242505 /nfs/dbraw/zinc/24/25/05/265242505.db2.gz PSBMRLRBSRKPNT-VXGBXAGGSA-N 2 1 332.408 -1.025 20 0 EAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357938701 265158988 /nfs/dbraw/zinc/15/89/88/265158988.db2.gz YVPBESWPKPLXOJ-KBPBESRZSA-N 2 1 334.424 -1.172 20 0 EAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357938703 265041221 /nfs/dbraw/zinc/04/12/21/265041221.db2.gz YVPBESWPKPLXOJ-KGLIPLIRSA-N 2 1 334.424 -1.172 20 0 EAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357938705 265044550 /nfs/dbraw/zinc/04/45/50/265044550.db2.gz YVPBESWPKPLXOJ-UONOGXRCSA-N 2 1 334.424 -1.172 20 0 EAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357938707 545688458 /nfs/dbraw/zinc/68/84/58/545688458.db2.gz YVPBESWPKPLXOJ-ZIAGYGMSSA-N 2 1 334.424 -1.172 20 0 EAADMP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000358094293 545688053 /nfs/dbraw/zinc/68/80/53/545688053.db2.gz ZIKKYTVVJNCMMT-CYBMUJFWSA-N 2 1 341.456 -1.290 20 0 EAADMP CN(CC[NH+](C)C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000358094299 545689398 /nfs/dbraw/zinc/68/93/98/545689398.db2.gz ZIKKYTVVJNCMMT-ZDUSSCGKSA-N 2 1 341.456 -1.290 20 0 EAADMP COCCN(C)CCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000358556276 415109875 /nfs/dbraw/zinc/10/98/75/415109875.db2.gz GTWXTVORXUEJLQ-ZDUSSCGKSA-N 2 1 330.429 -1.482 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000358556276 415109869 /nfs/dbraw/zinc/10/98/69/415109869.db2.gz GTWXTVORXUEJLQ-ZDUSSCGKSA-N 2 1 330.429 -1.482 20 0 EAADMP COCCN(C)CCNC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000358557438 415109663 /nfs/dbraw/zinc/10/96/63/415109663.db2.gz DOKKVVXRXBPAIR-UHFFFAOYSA-N 2 1 344.456 -1.092 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000358557438 415109655 /nfs/dbraw/zinc/10/96/55/415109655.db2.gz DOKKVVXRXBPAIR-UHFFFAOYSA-N 2 1 344.456 -1.092 20 0 EAADMP COCCN(C)CCNC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000358559538 265173249 /nfs/dbraw/zinc/17/32/49/265173249.db2.gz KFXHVCXDKONCEL-CQSZACIVSA-N 2 1 342.440 -1.386 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000358559538 265173245 /nfs/dbraw/zinc/17/32/45/265173245.db2.gz KFXHVCXDKONCEL-CQSZACIVSA-N 2 1 342.440 -1.386 20 0 EAADMP COCCN(C)CCNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000358565620 265085045 /nfs/dbraw/zinc/08/50/45/265085045.db2.gz USCZNVDOWMYXPG-UHFFFAOYSA-N 2 1 330.429 -1.529 20 0 EAADMP COCCN1CCN(C(=O)C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000358565620 265085043 /nfs/dbraw/zinc/08/50/43/265085043.db2.gz USCZNVDOWMYXPG-UHFFFAOYSA-N 2 1 330.429 -1.529 20 0 EAADMP COCCN(C)CCNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000358576681 265123305 /nfs/dbraw/zinc/12/33/05/265123305.db2.gz WXQUDTREJCIESN-UHFFFAOYSA-N 2 1 344.456 -1.092 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000358576681 265123301 /nfs/dbraw/zinc/12/33/01/265123301.db2.gz WXQUDTREJCIESN-UHFFFAOYSA-N 2 1 344.456 -1.092 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000358578327 265263498 /nfs/dbraw/zinc/26/34/98/265263498.db2.gz ZJQVACVILZCGAH-CYBMUJFWSA-N 2 1 329.445 -1.957 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000358578327 265263494 /nfs/dbraw/zinc/26/34/94/265263494.db2.gz ZJQVACVILZCGAH-CYBMUJFWSA-N 2 1 329.445 -1.957 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000358578338 415110686 /nfs/dbraw/zinc/11/06/86/415110686.db2.gz ZJQVACVILZCGAH-ZDUSSCGKSA-N 2 1 329.445 -1.957 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000358578338 415110678 /nfs/dbraw/zinc/11/06/78/415110678.db2.gz ZJQVACVILZCGAH-ZDUSSCGKSA-N 2 1 329.445 -1.957 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000358578338 415110670 /nfs/dbraw/zinc/11/06/70/415110670.db2.gz ZJQVACVILZCGAH-ZDUSSCGKSA-N 2 1 329.445 -1.957 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358714355 265071602 /nfs/dbraw/zinc/07/16/02/265071602.db2.gz XLFVHXGYQJSWAI-INIZCTEOSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C)C(=O)CN1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358714355 265071598 /nfs/dbraw/zinc/07/15/98/265071598.db2.gz XLFVHXGYQJSWAI-INIZCTEOSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358714357 265387637 /nfs/dbraw/zinc/38/76/37/265387637.db2.gz XLFVHXGYQJSWAI-MRXNPFEDSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358714357 265387635 /nfs/dbraw/zinc/38/76/35/265387635.db2.gz XLFVHXGYQJSWAI-MRXNPFEDSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+]1CC[C@](O)(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715969 265024181 /nfs/dbraw/zinc/02/41/81/265024181.db2.gz HVIAFRNASKFUGY-BBRMVZONSA-N 2 1 341.456 -1.060 20 0 EAADMP C[NH+]1CC[C@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715969 265024178 /nfs/dbraw/zinc/02/41/78/265024178.db2.gz HVIAFRNASKFUGY-BBRMVZONSA-N 2 1 341.456 -1.060 20 0 EAADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715969 265024175 /nfs/dbraw/zinc/02/41/75/265024175.db2.gz HVIAFRNASKFUGY-BBRMVZONSA-N 2 1 341.456 -1.060 20 0 EAADMP C[NH+]1CC[C@](O)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715976 415109980 /nfs/dbraw/zinc/10/99/80/415109980.db2.gz HVIAFRNASKFUGY-CJNGLKHVSA-N 2 1 341.456 -1.060 20 0 EAADMP C[NH+]1CC[C@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715976 415109974 /nfs/dbraw/zinc/10/99/74/415109974.db2.gz HVIAFRNASKFUGY-CJNGLKHVSA-N 2 1 341.456 -1.060 20 0 EAADMP C[N@H+]1CC[C@](O)(CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715976 415109968 /nfs/dbraw/zinc/10/99/68/415109968.db2.gz HVIAFRNASKFUGY-CJNGLKHVSA-N 2 1 341.456 -1.060 20 0 EAADMP C[NH+]1CC[C@@](O)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715982 415111446 /nfs/dbraw/zinc/11/14/46/415111446.db2.gz HVIAFRNASKFUGY-CZUORRHYSA-N 2 1 341.456 -1.060 20 0 EAADMP C[NH+]1CC[C@@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715982 415111442 /nfs/dbraw/zinc/11/14/42/415111442.db2.gz HVIAFRNASKFUGY-CZUORRHYSA-N 2 1 341.456 -1.060 20 0 EAADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000358715982 415111438 /nfs/dbraw/zinc/11/14/38/415111438.db2.gz HVIAFRNASKFUGY-CZUORRHYSA-N 2 1 341.456 -1.060 20 0 EAADMP C[NH+]1CC[C@@](O)(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715988 265150351 /nfs/dbraw/zinc/15/03/51/265150351.db2.gz HVIAFRNASKFUGY-XJKSGUPXSA-N 2 1 341.456 -1.060 20 0 EAADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000358715988 265150349 /nfs/dbraw/zinc/15/03/49/265150349.db2.gz HVIAFRNASKFUGY-XJKSGUPXSA-N 2 1 341.456 -1.060 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)C1CC1 ZINC000359274570 265156385 /nfs/dbraw/zinc/15/63/85/265156385.db2.gz OSDXUJRIPKTFON-AWEZNQCLSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000359274577 265224719 /nfs/dbraw/zinc/22/47/19/265224719.db2.gz OSDXUJRIPKTFON-CQSZACIVSA-N 2 1 325.457 -1.051 20 0 EAADMP Cn1cnc2c1c(=O)n(CCC[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)c(=O)n2C ZINC000359300841 415116157 /nfs/dbraw/zinc/11/61/57/415116157.db2.gz HURCAUSBFKNORQ-RYUDHWBXSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)c(=O)n2C ZINC000359300852 415114174 /nfs/dbraw/zinc/11/41/74/415114174.db2.gz HURCAUSBFKNORQ-TXEJJXNPSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)c(=O)n2C ZINC000359300852 415114170 /nfs/dbraw/zinc/11/41/70/415114170.db2.gz HURCAUSBFKNORQ-TXEJJXNPSA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1cnc2c1c(=O)n(CCC[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)c(=O)n2C ZINC000359300856 415113674 /nfs/dbraw/zinc/11/36/74/415113674.db2.gz HURCAUSBFKNORQ-VXGBXAGGSA-N 2 1 332.408 -1.025 20 0 EAADMP COC(=O)CNC(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359511162 265205142 /nfs/dbraw/zinc/20/51/42/265205142.db2.gz UZNCNCYLRSMHGL-UHFFFAOYSA-N 2 1 343.424 -1.175 20 0 EAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000360269535 374786416 /nfs/dbraw/zinc/78/64/16/374786416.db2.gz BMEMCZFHVSSZRQ-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP CN1CCN(C2CC[NH+](CC(=O)N3CCNC(=O)C3)CC2)C(=O)C1 ZINC000360638923 265135323 /nfs/dbraw/zinc/13/53/23/265135323.db2.gz PDXMDNJALGQHJV-UHFFFAOYSA-N 2 1 337.424 -1.817 20 0 EAADMP COC(=O)CNC(=O)[C@@H](C)N1CCC(O)(CN2CCOCC2)CC1 ZINC000361124545 265364097 /nfs/dbraw/zinc/36/40/97/265364097.db2.gz PXXRRLDGSWGEJN-CYBMUJFWSA-N 2 1 343.424 -1.177 20 0 EAADMP CNS(=O)(=O)NC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000361379127 415122067 /nfs/dbraw/zinc/12/20/67/415122067.db2.gz UDMMQZGBKNVXIS-UHFFFAOYSA-N 2 1 347.485 -1.331 20 0 EAADMP C[C@H](O)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC1 ZINC000361514695 415120511 /nfs/dbraw/zinc/12/05/11/415120511.db2.gz QTPDZDQLGKHRQA-KBPBESRZSA-N 2 1 344.456 -1.718 20 0 EAADMP C[C@@H](O)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC1 ZINC000361514696 265078870 /nfs/dbraw/zinc/07/88/70/265078870.db2.gz QTPDZDQLGKHRQA-OKILXGFUSA-N 2 1 344.456 -1.718 20 0 EAADMP C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C[C@H](C)O)CC1 ZINC000361514696 265078868 /nfs/dbraw/zinc/07/88/68/265078868.db2.gz QTPDZDQLGKHRQA-OKILXGFUSA-N 2 1 344.456 -1.718 20 0 EAADMP C[C@@H](O)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC1 ZINC000361514697 265352742 /nfs/dbraw/zinc/35/27/42/265352742.db2.gz QTPDZDQLGKHRQA-ZIAGYGMSSA-N 2 1 344.456 -1.718 20 0 EAADMP C[C@](O)(CNC(=O)NCCN1CCOCC1)C[NH+]1CCOCC1 ZINC000361860247 265230584 /nfs/dbraw/zinc/23/05/84/265230584.db2.gz WCOGSBYINFDTDX-HNNXBMFYSA-N 2 1 330.429 -1.299 20 0 EAADMP Cn1c(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc(=O)n(C)c1=O ZINC000362829107 374792954 /nfs/dbraw/zinc/79/29/54/374792954.db2.gz ZDCWRMLCMZPOGA-GFCCVEGCSA-N 2 1 335.408 -1.520 20 0 EAADMP Cn1c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc(=O)n(C)c1=O ZINC000362829108 374792784 /nfs/dbraw/zinc/79/27/84/374792784.db2.gz ZDCWRMLCMZPOGA-LBPRGKRZSA-N 2 1 335.408 -1.520 20 0 EAADMP C[C@@H](NC(=O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(=O)N(C)C ZINC000362831826 265188439 /nfs/dbraw/zinc/18/84/39/265188439.db2.gz UAUVFZAMVRZBJQ-CHWSQXEVSA-N 2 1 339.440 -1.525 20 0 EAADMP CC(C)CN1CCO[C@@H](CNC(=O)CN2C[C@H](O)C[C@H]2CO)C1 ZINC000364203506 374426893 /nfs/dbraw/zinc/42/68/93/374426893.db2.gz QEGZQPPYJNGWEO-ZNMIVQPWSA-N 2 1 329.441 -1.113 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@H](O)C[C@H]2CO)C1 ZINC000364203506 374426884 /nfs/dbraw/zinc/42/68/84/374426884.db2.gz QEGZQPPYJNGWEO-ZNMIVQPWSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@@](O)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046174 374717452 /nfs/dbraw/zinc/71/74/52/374717452.db2.gz UCPKSEMEGNXSAU-GDBMZVCRSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@@](O)(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046174 374717443 /nfs/dbraw/zinc/71/74/43/374717443.db2.gz UCPKSEMEGNXSAU-GDBMZVCRSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@@](O)(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046175 415053565 /nfs/dbraw/zinc/05/35/65/415053565.db2.gz UCPKSEMEGNXSAU-GOEBONIOSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@@](O)(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046175 415053561 /nfs/dbraw/zinc/05/35/61/415053561.db2.gz UCPKSEMEGNXSAU-GOEBONIOSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@](O)(CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046176 415054231 /nfs/dbraw/zinc/05/42/31/415054231.db2.gz UCPKSEMEGNXSAU-HOCLYGCPSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@](O)(CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046176 415054226 /nfs/dbraw/zinc/05/42/26/415054226.db2.gz UCPKSEMEGNXSAU-HOCLYGCPSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@](O)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C[NH+]1CCOCC1 ZINC000367046177 265339564 /nfs/dbraw/zinc/33/95/64/265339564.db2.gz UCPKSEMEGNXSAU-ZBFHGGJFSA-N 2 1 326.441 -1.424 20 0 EAADMP C[C@](O)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)CN1CCOCC1 ZINC000367046177 265339552 /nfs/dbraw/zinc/33/95/52/265339552.db2.gz UCPKSEMEGNXSAU-ZBFHGGJFSA-N 2 1 326.441 -1.424 20 0 EAADMP NC(=O)[C@]1(O)CCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000367563925 265161813 /nfs/dbraw/zinc/16/18/13/265161813.db2.gz FXOAQXLUSPBTQI-INIZCTEOSA-N 2 1 336.392 -1.154 20 0 EAADMP NC(=O)[C@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000367563925 265161809 /nfs/dbraw/zinc/16/18/09/265161809.db2.gz FXOAQXLUSPBTQI-INIZCTEOSA-N 2 1 336.392 -1.154 20 0 EAADMP NC(=O)[C@@H]1C[NH+](CCCCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000369036609 265154011 /nfs/dbraw/zinc/15/40/11/265154011.db2.gz PEDZPIFHPRIYRF-KBPBESRZSA-N 2 1 342.440 -1.081 20 0 EAADMP NC(=O)[C@H]1C[NH+](CCCCCC[N@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000369036610 265393041 /nfs/dbraw/zinc/39/30/41/265393041.db2.gz PEDZPIFHPRIYRF-OKILXGFUSA-N 2 1 342.440 -1.081 20 0 EAADMP NC(=O)[C@H]1C[NH+](CCCCCC[N@@H+]2CCO[C@H](C(N)=O)C2)CCO1 ZINC000369036610 265393039 /nfs/dbraw/zinc/39/30/39/265393039.db2.gz PEDZPIFHPRIYRF-OKILXGFUSA-N 2 1 342.440 -1.081 20 0 EAADMP NC(=O)[C@H]1C[NH+](CCCCCC[N@H+]2CCO[C@@H](C(N)=O)C2)CCO1 ZINC000369036611 414901109 /nfs/dbraw/zinc/90/11/09/414901109.db2.gz PEDZPIFHPRIYRF-ZIAGYGMSSA-N 2 1 342.440 -1.081 20 0 EAADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000372744200 265423906 /nfs/dbraw/zinc/42/39/06/265423906.db2.gz UDJSVHHMBUNTCN-AAVRWANBSA-N 2 1 342.440 -1.084 20 0 EAADMP C[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000372744214 265356289 /nfs/dbraw/zinc/35/62/89/265356289.db2.gz UDJSVHHMBUNTCN-SYQHCUMBSA-N 2 1 342.440 -1.084 20 0 EAADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)C[C@H](C(N)=O)O1 ZINC000372744214 265356288 /nfs/dbraw/zinc/35/62/88/265356288.db2.gz UDJSVHHMBUNTCN-SYQHCUMBSA-N 2 1 342.440 -1.084 20 0 EAADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@@H](C(N)=O)O1 ZINC000372744214 265356287 /nfs/dbraw/zinc/35/62/87/265356287.db2.gz UDJSVHHMBUNTCN-SYQHCUMBSA-N 2 1 342.440 -1.084 20 0 EAADMP COC(=O)[C@@H]1C[C@@H](O)CN1CCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133572 /nfs/dbraw/zinc/13/35/72/265133572.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 1 344.408 -1.017 20 0 EAADMP COC(=O)[C@@H]1C[C@@H](O)CN1CCCC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000372798115 265133569 /nfs/dbraw/zinc/13/35/69/265133569.db2.gz SCXOWUGBORRFIW-CRWXNKLISA-N 2 1 344.408 -1.017 20 0 EAADMP CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000372911302 265285759 /nfs/dbraw/zinc/28/57/59/265285759.db2.gz LDEAJMNHQCYVNC-RRFJBIMHSA-N 2 1 326.441 -1.426 20 0 EAADMP CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000372911302 265285754 /nfs/dbraw/zinc/28/57/54/265285754.db2.gz LDEAJMNHQCYVNC-RRFJBIMHSA-N 2 1 326.441 -1.426 20 0 EAADMP CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000372911306 415137065 /nfs/dbraw/zinc/13/70/65/415137065.db2.gz LDEAJMNHQCYVNC-SOUVJXGZSA-N 2 1 326.441 -1.426 20 0 EAADMP CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000372911306 415137055 /nfs/dbraw/zinc/13/70/55/415137055.db2.gz LDEAJMNHQCYVNC-SOUVJXGZSA-N 2 1 326.441 -1.426 20 0 EAADMP CN(CC(N)=O)C[C@H]1CN(S(=O)(=O)CCN2CCCC2)CCO1 ZINC000374448075 265288720 /nfs/dbraw/zinc/28/87/20/265288720.db2.gz WVZJYQAYZRUNMR-ZDUSSCGKSA-N 2 1 348.469 -1.470 20 0 EAADMP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(CCn2cncn2)CC1 ZINC000408029107 414872478 /nfs/dbraw/zinc/87/24/78/414872478.db2.gz BHKZWSJRQCXYQX-HNNXBMFYSA-N 2 1 333.440 -1.188 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408036793 265396068 /nfs/dbraw/zinc/39/60/68/265396068.db2.gz VRDLUVJBFRKRIK-HNNXBMFYSA-N 2 1 337.468 -1.001 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408036793 265396064 /nfs/dbraw/zinc/39/60/64/265396064.db2.gz VRDLUVJBFRKRIK-HNNXBMFYSA-N 2 1 337.468 -1.001 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408036796 414870839 /nfs/dbraw/zinc/87/08/39/414870839.db2.gz VRDLUVJBFRKRIK-OAHLLOKOSA-N 2 1 337.468 -1.001 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408036796 414870836 /nfs/dbraw/zinc/87/08/36/414870836.db2.gz VRDLUVJBFRKRIK-OAHLLOKOSA-N 2 1 337.468 -1.001 20 0 EAADMP CC[NH+](CC)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416805265 264935699 /nfs/dbraw/zinc/93/56/99/264935699.db2.gz XXOFIULVRNRLLE-UHFFFAOYSA-N 2 1 347.485 -1.043 20 0 EAADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417318783 415013771 /nfs/dbraw/zinc/01/37/71/415013771.db2.gz MESOWPJPLNPQQE-GFCCVEGCSA-N 2 1 347.485 -1.045 20 0 EAADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417318784 415014078 /nfs/dbraw/zinc/01/40/78/415014078.db2.gz MESOWPJPLNPQQE-LBPRGKRZSA-N 2 1 347.485 -1.045 20 0 EAADMP O=C(NCCC[NH2+]C1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418289646 374804277 /nfs/dbraw/zinc/80/42/77/374804277.db2.gz OZXJWJQCLRFSJI-UHFFFAOYSA-N 2 1 345.469 -1.243 20 0 EAADMP C[NH2+]C[C@@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418386808 374815331 /nfs/dbraw/zinc/81/53/31/374815331.db2.gz LXZFQULZRAZBFK-LLVKDONJSA-N 2 1 333.458 -1.529 20 0 EAADMP C[NH2+]C[C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418386811 374816113 /nfs/dbraw/zinc/81/61/13/374816113.db2.gz LXZFQULZRAZBFK-NSHDSACASA-N 2 1 333.458 -1.529 20 0 EAADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418433258 265091986 /nfs/dbraw/zinc/09/19/86/265091986.db2.gz CTZBMSWLIKJKRK-GFCCVEGCSA-N 2 1 347.485 -1.011 20 0 EAADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418433259 415155289 /nfs/dbraw/zinc/15/52/89/415155289.db2.gz CTZBMSWLIKJKRK-LBPRGKRZSA-N 2 1 347.485 -1.011 20 0 EAADMP CCC[NH2+]CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418493550 265391301 /nfs/dbraw/zinc/39/13/01/265391301.db2.gz YSKPFLKDZXWNRD-UHFFFAOYSA-N 2 1 333.458 -1.385 20 0 EAADMP COCC[NH2+]CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418506506 265385716 /nfs/dbraw/zinc/38/57/16/265385716.db2.gz IOBFPWILOLNPAN-UHFFFAOYSA-N 2 1 349.457 -2.149 20 0 EAADMP CC[NH2+][C@H](C)CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418606305 265003908 /nfs/dbraw/zinc/00/39/08/265003908.db2.gz VKVBXWCIPBFWIL-LLVKDONJSA-N 2 1 333.458 -1.387 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418911928 374833505 /nfs/dbraw/zinc/83/35/05/374833505.db2.gz CTJVSGQODWEAMD-KBPBESRZSA-N 2 1 342.440 -1.355 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418911929 265117488 /nfs/dbraw/zinc/11/74/88/265117488.db2.gz CTJVSGQODWEAMD-KGLIPLIRSA-N 2 1 342.440 -1.355 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000418911930 415160371 /nfs/dbraw/zinc/16/03/71/415160371.db2.gz CTJVSGQODWEAMD-UONOGXRCSA-N 2 1 342.440 -1.355 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000418911931 374832869 /nfs/dbraw/zinc/83/28/69/374832869.db2.gz CTJVSGQODWEAMD-ZIAGYGMSSA-N 2 1 342.440 -1.355 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000418928732 415163081 /nfs/dbraw/zinc/16/30/81/415163081.db2.gz VMLCKAOZVDVOIS-CYBMUJFWSA-N 2 1 330.429 -1.761 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000418928733 415161830 /nfs/dbraw/zinc/16/18/30/415161830.db2.gz VMLCKAOZVDVOIS-ZDUSSCGKSA-N 2 1 330.429 -1.761 20 0 EAADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419088588 265109642 /nfs/dbraw/zinc/10/96/42/265109642.db2.gz RIKQTUJMCIVVOF-BETUJISGSA-N 2 1 344.456 -1.230 20 0 EAADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419088588 265109640 /nfs/dbraw/zinc/10/96/40/265109640.db2.gz RIKQTUJMCIVVOF-BETUJISGSA-N 2 1 344.456 -1.230 20 0 EAADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@@H](C)O1 ZINC000419088589 415161903 /nfs/dbraw/zinc/16/19/03/415161903.db2.gz RIKQTUJMCIVVOF-CHWSQXEVSA-N 2 1 344.456 -1.230 20 0 EAADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C[C@H](C)O1 ZINC000419088590 374831958 /nfs/dbraw/zinc/83/19/58/374831958.db2.gz RIKQTUJMCIVVOF-STQMWFEESA-N 2 1 344.456 -1.230 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)[nH+]c1 ZINC000419089289 415421512 /nfs/dbraw/zinc/42/15/12/415421512.db2.gz CQEJDROWVPAYEH-UHFFFAOYSA-N 2 1 348.451 -0.670 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[nH+]c1 ZINC000419093909 415419342 /nfs/dbraw/zinc/41/93/42/415419342.db2.gz JDYCCJQCRNCVDI-CYBMUJFWSA-N 2 1 335.408 -0.506 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[nH+]c1 ZINC000419093914 415418842 /nfs/dbraw/zinc/41/88/42/415418842.db2.gz JDYCCJQCRNCVDI-ZDUSSCGKSA-N 2 1 335.408 -0.506 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)[nH+]c1 ZINC000419096557 415418632 /nfs/dbraw/zinc/41/86/32/415418632.db2.gz MFNYFSCMAFOPRY-STQMWFEESA-N 2 1 335.408 -0.901 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[nH+]c1 ZINC000419110255 415419545 /nfs/dbraw/zinc/41/95/45/415419545.db2.gz ZGNJMGUPCIWAOU-CYBMUJFWSA-N 2 1 335.408 -0.587 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[nH+]c1 ZINC000419110260 415422687 /nfs/dbraw/zinc/42/26/87/415422687.db2.gz ZGNJMGUPCIWAOU-ZDUSSCGKSA-N 2 1 335.408 -0.587 20 0 EAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419183895 374831353 /nfs/dbraw/zinc/83/13/53/374831353.db2.gz NAYRCAGYWXOODC-CYBMUJFWSA-N 2 1 325.457 -1.051 20 0 EAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000419183896 374833172 /nfs/dbraw/zinc/83/31/72/374833172.db2.gz NAYRCAGYWXOODC-ZDUSSCGKSA-N 2 1 325.457 -1.051 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419358750 265056877 /nfs/dbraw/zinc/05/68/77/265056877.db2.gz PSHGMNXYVLJKQF-NEPJUHHUSA-N 2 1 330.429 -1.090 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419358758 415161374 /nfs/dbraw/zinc/16/13/74/415161374.db2.gz PSHGMNXYVLJKQF-NWDGAFQWSA-N 2 1 330.429 -1.090 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419358759 415166455 /nfs/dbraw/zinc/16/64/55/415166455.db2.gz PSHGMNXYVLJKQF-RYUDHWBXSA-N 2 1 330.429 -1.090 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419358761 415164721 /nfs/dbraw/zinc/16/47/21/415164721.db2.gz PSHGMNXYVLJKQF-VXGBXAGGSA-N 2 1 330.429 -1.090 20 0 EAADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419370516 265261981 /nfs/dbraw/zinc/26/19/81/265261981.db2.gz JTVZXTLZEVJVKO-CYBMUJFWSA-N 2 1 341.456 -1.244 20 0 EAADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419370517 415166155 /nfs/dbraw/zinc/16/61/55/415166155.db2.gz JTVZXTLZEVJVKO-ZDUSSCGKSA-N 2 1 341.456 -1.244 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000419372704 265012855 /nfs/dbraw/zinc/01/28/55/265012855.db2.gz MUXNRQVUUFVQDZ-CYBMUJFWSA-N 2 1 339.440 -1.394 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000419372707 265360045 /nfs/dbraw/zinc/36/00/45/265360045.db2.gz MUXNRQVUUFVQDZ-ZDUSSCGKSA-N 2 1 339.440 -1.394 20 0 EAADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376142 265008012 /nfs/dbraw/zinc/00/80/12/265008012.db2.gz SPBZSBWKDSEWRD-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376225 265205538 /nfs/dbraw/zinc/20/55/38/265205538.db2.gz SUAOATGFQCGCGN-CYBMUJFWSA-N 2 1 341.456 -1.100 20 0 EAADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000419376227 415166437 /nfs/dbraw/zinc/16/64/37/415166437.db2.gz SUAOATGFQCGCGN-ZDUSSCGKSA-N 2 1 341.456 -1.100 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000419395606 415164816 /nfs/dbraw/zinc/16/48/16/415164816.db2.gz QXZTWOMDBANGGM-UHFFFAOYSA-N 2 1 334.420 -1.060 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000419395606 415164806 /nfs/dbraw/zinc/16/48/06/415164806.db2.gz QXZTWOMDBANGGM-UHFFFAOYSA-N 2 1 334.420 -1.060 20 0 EAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419406722 374832191 /nfs/dbraw/zinc/83/21/91/374832191.db2.gz JBAUCETZLCGDOL-AWEZNQCLSA-N 2 1 325.457 -1.144 20 0 EAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419406724 265041903 /nfs/dbraw/zinc/04/19/03/265041903.db2.gz JBAUCETZLCGDOL-CQSZACIVSA-N 2 1 325.457 -1.144 20 0 EAADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419597037 265122909 /nfs/dbraw/zinc/12/29/09/265122909.db2.gz ZLNCMKZGGHGZLN-AWEZNQCLSA-N 2 1 325.457 -1.002 20 0 EAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419597038 415166321 /nfs/dbraw/zinc/16/63/21/415166321.db2.gz ZLNCMKZGGHGZLN-CQSZACIVSA-N 2 1 325.457 -1.002 20 0 EAADMP C[N@@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000419699643 265245297 /nfs/dbraw/zinc/24/52/97/265245297.db2.gz WUMDJYQPRGCSGK-UHFFFAOYSA-N 2 1 325.457 -1.002 20 0 EAADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000419861449 415165908 /nfs/dbraw/zinc/16/59/08/415165908.db2.gz DUOQBYJAYJRCDJ-UHFFFAOYSA-N 2 1 337.468 -1.048 20 0 EAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000419862490 374835879 /nfs/dbraw/zinc/83/58/79/374835879.db2.gz GNWPFLNHEIYHJM-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000419862490 374835874 /nfs/dbraw/zinc/83/58/74/374835874.db2.gz GNWPFLNHEIYHJM-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000419862494 415165233 /nfs/dbraw/zinc/16/52/33/415165233.db2.gz GNWPFLNHEIYHJM-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000419862494 415165222 /nfs/dbraw/zinc/16/52/22/415165222.db2.gz GNWPFLNHEIYHJM-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000419862496 415166480 /nfs/dbraw/zinc/16/64/80/415166480.db2.gz GNWPFLNHEIYHJM-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@@H]1C ZINC000419862496 415166479 /nfs/dbraw/zinc/16/64/79/415166479.db2.gz GNWPFLNHEIYHJM-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000419862497 265101008 /nfs/dbraw/zinc/10/10/08/265101008.db2.gz GNWPFLNHEIYHJM-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C ZINC000419862497 265101003 /nfs/dbraw/zinc/10/10/03/265101003.db2.gz GNWPFLNHEIYHJM-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863524 415164159 /nfs/dbraw/zinc/16/41/59/415164159.db2.gz HSCDMGNJDGYVHL-AWEZNQCLSA-N 2 1 325.457 -1.002 20 0 EAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863529 374835585 /nfs/dbraw/zinc/83/55/85/374835585.db2.gz HSCDMGNJDGYVHL-CQSZACIVSA-N 2 1 325.457 -1.002 20 0 EAADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419864352 415165771 /nfs/dbraw/zinc/16/57/71/415165771.db2.gz INTBCDWAXMEMBA-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419870637 415166503 /nfs/dbraw/zinc/16/65/03/415166503.db2.gz OYPGBCAMDAHYKZ-AWEZNQCLSA-N 2 1 325.457 -1.194 20 0 EAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419870637 415166502 /nfs/dbraw/zinc/16/65/02/415166502.db2.gz OYPGBCAMDAHYKZ-AWEZNQCLSA-N 2 1 325.457 -1.194 20 0 EAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419870638 415166532 /nfs/dbraw/zinc/16/65/32/415166532.db2.gz OYPGBCAMDAHYKZ-CQSZACIVSA-N 2 1 325.457 -1.194 20 0 EAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419870638 415166530 /nfs/dbraw/zinc/16/65/30/415166530.db2.gz OYPGBCAMDAHYKZ-CQSZACIVSA-N 2 1 325.457 -1.194 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C1CC1 ZINC000419870990 265157339 /nfs/dbraw/zinc/15/73/39/265157339.db2.gz PDUWXMTXEOCUKM-UHFFFAOYSA-N 2 1 325.457 -1.002 20 0 EAADMP CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419871681 265118835 /nfs/dbraw/zinc/11/88/35/265118835.db2.gz KSVYFYOQSHPTJK-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP CC[NH2+]CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419871683 265245277 /nfs/dbraw/zinc/24/52/77/265245277.db2.gz KSVYFYOQSHPTJK-ZDUSSCGKSA-N 2 1 339.440 -1.523 20 0 EAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419872646 265042302 /nfs/dbraw/zinc/04/23/02/265042302.db2.gz QYLSPLBCBUNXIS-UHFFFAOYSA-N 2 1 325.457 -1.192 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000419889884 415166882 /nfs/dbraw/zinc/16/68/82/415166882.db2.gz SLEPNVCGJLREHS-AWEZNQCLSA-N 2 1 325.457 -1.194 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000419889884 415166877 /nfs/dbraw/zinc/16/68/77/415166877.db2.gz SLEPNVCGJLREHS-AWEZNQCLSA-N 2 1 325.457 -1.194 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000419889885 415165723 /nfs/dbraw/zinc/16/57/23/415165723.db2.gz SLEPNVCGJLREHS-CQSZACIVSA-N 2 1 325.457 -1.194 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000419889885 415165715 /nfs/dbraw/zinc/16/57/15/415165715.db2.gz SLEPNVCGJLREHS-CQSZACIVSA-N 2 1 325.457 -1.194 20 0 EAADMP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000419906789 415167094 /nfs/dbraw/zinc/16/70/94/415167094.db2.gz DAXIHMCFYHZLIL-UHFFFAOYSA-N 2 1 341.456 -1.275 20 0 EAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419938157 265125595 /nfs/dbraw/zinc/12/55/95/265125595.db2.gz HKXSPHUWIMSPOW-CHWSQXEVSA-N 2 1 339.440 -1.538 20 0 EAADMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419938158 264995574 /nfs/dbraw/zinc/99/55/74/264995574.db2.gz HKXSPHUWIMSPOW-OLZOCXBDSA-N 2 1 339.440 -1.538 20 0 EAADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000419938159 265247247 /nfs/dbraw/zinc/24/72/47/265247247.db2.gz HKXSPHUWIMSPOW-QWHCGFSZSA-N 2 1 339.440 -1.538 20 0 EAADMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000419938160 265252647 /nfs/dbraw/zinc/25/26/47/265252647.db2.gz HKXSPHUWIMSPOW-STQMWFEESA-N 2 1 339.440 -1.538 20 0 EAADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000419981907 265359818 /nfs/dbraw/zinc/35/98/18/265359818.db2.gz SKMOIAKDRDIANA-CYBMUJFWSA-N 2 1 341.456 -1.292 20 0 EAADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000419981913 265355894 /nfs/dbraw/zinc/35/58/94/265355894.db2.gz SKMOIAKDRDIANA-ZDUSSCGKSA-N 2 1 341.456 -1.292 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420065182 415171554 /nfs/dbraw/zinc/17/15/54/415171554.db2.gz XEOLDUUHTAKQAE-GFCCVEGCSA-N 2 1 339.440 -1.395 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420065184 265158504 /nfs/dbraw/zinc/15/85/04/265158504.db2.gz XEOLDUUHTAKQAE-LBPRGKRZSA-N 2 1 339.440 -1.395 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420155521 415168891 /nfs/dbraw/zinc/16/88/91/415168891.db2.gz FJLZWAXQGBAEFY-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000420155521 415168883 /nfs/dbraw/zinc/16/88/83/415168883.db2.gz FJLZWAXQGBAEFY-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420155522 374835958 /nfs/dbraw/zinc/83/59/58/374835958.db2.gz FJLZWAXQGBAEFY-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000420155522 374835953 /nfs/dbraw/zinc/83/59/53/374835953.db2.gz FJLZWAXQGBAEFY-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000420184027 415168822 /nfs/dbraw/zinc/16/88/22/415168822.db2.gz NDYGPWZBFYKUMV-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000420184027 415168814 /nfs/dbraw/zinc/16/88/14/415168814.db2.gz NDYGPWZBFYKUMV-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000420184028 415170332 /nfs/dbraw/zinc/17/03/32/415170332.db2.gz NDYGPWZBFYKUMV-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000420184028 415170324 /nfs/dbraw/zinc/17/03/24/415170324.db2.gz NDYGPWZBFYKUMV-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000420351863 415168621 /nfs/dbraw/zinc/16/86/21/415168621.db2.gz XYDFTOGLGHMJME-ILXRZTDVSA-N 2 1 328.457 -1.276 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000420351864 265157471 /nfs/dbraw/zinc/15/74/71/265157471.db2.gz XYDFTOGLGHMJME-KKUMJFAQSA-N 2 1 328.457 -1.276 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423484805 265003255 /nfs/dbraw/zinc/00/32/55/265003255.db2.gz YXJZWTXQFSJENN-CHWSQXEVSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423484805 265003251 /nfs/dbraw/zinc/00/32/51/265003251.db2.gz YXJZWTXQFSJENN-CHWSQXEVSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423484820 264770705 /nfs/dbraw/zinc/77/07/05/264770705.db2.gz YXJZWTXQFSJENN-OLZOCXBDSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423484820 264770700 /nfs/dbraw/zinc/77/07/00/264770700.db2.gz YXJZWTXQFSJENN-OLZOCXBDSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423484821 415178432 /nfs/dbraw/zinc/17/84/32/415178432.db2.gz YXJZWTXQFSJENN-QWHCGFSZSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423484821 415178421 /nfs/dbraw/zinc/17/84/21/415178421.db2.gz YXJZWTXQFSJENN-QWHCGFSZSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423484822 265120402 /nfs/dbraw/zinc/12/04/02/265120402.db2.gz YXJZWTXQFSJENN-STQMWFEESA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423484822 265120399 /nfs/dbraw/zinc/12/03/99/265120399.db2.gz YXJZWTXQFSJENN-STQMWFEESA-N 2 1 342.440 -1.524 20 0 EAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423501806 265225971 /nfs/dbraw/zinc/22/59/71/265225971.db2.gz DUWCOBIDTHDHBL-CYBMUJFWSA-N 2 1 339.440 -1.571 20 0 EAADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423501807 414866905 /nfs/dbraw/zinc/86/69/05/414866905.db2.gz DUWCOBIDTHDHBL-ZDUSSCGKSA-N 2 1 339.440 -1.571 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423525120 415178864 /nfs/dbraw/zinc/17/88/64/415178864.db2.gz UBOBUOUQDPNXFF-CYBMUJFWSA-N 2 1 337.424 -1.817 20 0 EAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423540530 265023098 /nfs/dbraw/zinc/02/30/98/265023098.db2.gz QPIHHNVZNMGJNN-CHWSQXEVSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423540530 265023095 /nfs/dbraw/zinc/02/30/95/265023095.db2.gz QPIHHNVZNMGJNN-CHWSQXEVSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423540534 374859748 /nfs/dbraw/zinc/85/97/48/374859748.db2.gz QPIHHNVZNMGJNN-OLZOCXBDSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423540534 374859738 /nfs/dbraw/zinc/85/97/38/374859738.db2.gz QPIHHNVZNMGJNN-OLZOCXBDSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423540535 374859408 /nfs/dbraw/zinc/85/94/08/374859408.db2.gz QPIHHNVZNMGJNN-QWHCGFSZSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423540535 374859400 /nfs/dbraw/zinc/85/94/00/374859400.db2.gz QPIHHNVZNMGJNN-QWHCGFSZSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423540536 265294873 /nfs/dbraw/zinc/29/48/73/265294873.db2.gz QPIHHNVZNMGJNN-STQMWFEESA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423540536 265294869 /nfs/dbraw/zinc/29/48/69/265294869.db2.gz QPIHHNVZNMGJNN-STQMWFEESA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423728548 265042255 /nfs/dbraw/zinc/04/22/55/265042255.db2.gz WBWOLYDAWFHJPM-CHWSQXEVSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423728554 265208977 /nfs/dbraw/zinc/20/89/77/265208977.db2.gz WBWOLYDAWFHJPM-OLZOCXBDSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000423728557 415184755 /nfs/dbraw/zinc/18/47/55/415184755.db2.gz WBWOLYDAWFHJPM-QWHCGFSZSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000423728560 415184242 /nfs/dbraw/zinc/18/42/42/415184242.db2.gz WBWOLYDAWFHJPM-STQMWFEESA-N 2 1 339.440 -1.443 20 0 EAADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423785885 265219460 /nfs/dbraw/zinc/21/94/60/265219460.db2.gz OWMNHJFFWAFGTR-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423785886 265047172 /nfs/dbraw/zinc/04/71/72/265047172.db2.gz OWMNHJFFWAFGTR-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000423785888 265204060 /nfs/dbraw/zinc/20/40/60/265204060.db2.gz OWMNHJFFWAFGTR-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000423785890 415183173 /nfs/dbraw/zinc/18/31/73/415183173.db2.gz OWMNHJFFWAFGTR-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423859006 415185004 /nfs/dbraw/zinc/18/50/04/415185004.db2.gz FTBUUIVASGRIGC-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423859006 415184994 /nfs/dbraw/zinc/18/49/94/415184994.db2.gz FTBUUIVASGRIGC-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423859007 265032529 /nfs/dbraw/zinc/03/25/29/265032529.db2.gz FTBUUIVASGRIGC-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000423859007 265032526 /nfs/dbraw/zinc/03/25/26/265032526.db2.gz FTBUUIVASGRIGC-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423859008 265308892 /nfs/dbraw/zinc/30/88/92/265308892.db2.gz FTBUUIVASGRIGC-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423859008 265308889 /nfs/dbraw/zinc/30/88/89/265308889.db2.gz FTBUUIVASGRIGC-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423859009 374861264 /nfs/dbraw/zinc/86/12/64/374861264.db2.gz FTBUUIVASGRIGC-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423859009 374861254 /nfs/dbraw/zinc/86/12/54/374861254.db2.gz FTBUUIVASGRIGC-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423877055 374860971 /nfs/dbraw/zinc/86/09/71/374860971.db2.gz CTIWCQBRAGHFTM-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000423877055 374860964 /nfs/dbraw/zinc/86/09/64/374860964.db2.gz CTIWCQBRAGHFTM-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423877059 265379872 /nfs/dbraw/zinc/37/98/72/265379872.db2.gz CTIWCQBRAGHFTM-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000423877059 265379868 /nfs/dbraw/zinc/37/98/68/265379868.db2.gz CTIWCQBRAGHFTM-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423877063 265250691 /nfs/dbraw/zinc/25/06/91/265250691.db2.gz CTIWCQBRAGHFTM-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423877063 265250690 /nfs/dbraw/zinc/25/06/90/265250690.db2.gz CTIWCQBRAGHFTM-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423877065 415184672 /nfs/dbraw/zinc/18/46/72/415184672.db2.gz CTIWCQBRAGHFTM-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP COC(=O)CC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000423877065 415184668 /nfs/dbraw/zinc/18/46/68/415184668.db2.gz CTIWCQBRAGHFTM-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035915 265374797 /nfs/dbraw/zinc/37/47/97/265374797.db2.gz DEFJCQJKKWNZMW-AAEUAGOBSA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035916 415184690 /nfs/dbraw/zinc/18/46/90/415184690.db2.gz DEFJCQJKKWNZMW-DGCLKSJQSA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035917 415183523 /nfs/dbraw/zinc/18/35/23/415183523.db2.gz DEFJCQJKKWNZMW-WCQYABFASA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424035918 265324498 /nfs/dbraw/zinc/32/44/98/265324498.db2.gz DEFJCQJKKWNZMW-YPMHNXCESA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@H]1CC[NH2+][C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424046434 415185826 /nfs/dbraw/zinc/18/58/26/415185826.db2.gz VSSZZINCRIUYDW-AAEUAGOBSA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424046436 265246995 /nfs/dbraw/zinc/24/69/95/265246995.db2.gz VSSZZINCRIUYDW-DGCLKSJQSA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424046438 265175505 /nfs/dbraw/zinc/17/55/05/265175505.db2.gz VSSZZINCRIUYDW-WCQYABFASA-N 2 1 330.454 -1.180 20 0 EAADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000424046441 265294682 /nfs/dbraw/zinc/29/46/82/265294682.db2.gz VSSZZINCRIUYDW-YPMHNXCESA-N 2 1 330.454 -1.180 20 0 EAADMP COC[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000424048977 265358269 /nfs/dbraw/zinc/35/82/69/265358269.db2.gz ZPYKCCWSSGMTLW-AWEZNQCLSA-N 2 1 346.453 -1.942 20 0 EAADMP COC[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000424048978 415185706 /nfs/dbraw/zinc/18/57/06/415185706.db2.gz ZPYKCCWSSGMTLW-CQSZACIVSA-N 2 1 346.453 -1.942 20 0 EAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000424491862 265031044 /nfs/dbraw/zinc/03/10/44/265031044.db2.gz GDMBIHDJBFIXSN-CYBMUJFWSA-N 2 1 342.440 -1.258 20 0 EAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000424491863 415187551 /nfs/dbraw/zinc/18/75/51/415187551.db2.gz GDMBIHDJBFIXSN-ZDUSSCGKSA-N 2 1 342.440 -1.258 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424535542 415190649 /nfs/dbraw/zinc/19/06/49/415190649.db2.gz ANBGCTGHZWIUMO-UHFFFAOYSA-N 2 1 344.456 -1.092 20 0 EAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000424541621 415189854 /nfs/dbraw/zinc/18/98/54/415189854.db2.gz HOPQJACNVIBFRE-CYBMUJFWSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000424541626 265333457 /nfs/dbraw/zinc/33/34/57/265333457.db2.gz HOPQJACNVIBFRE-ZDUSSCGKSA-N 2 1 342.440 -1.340 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)C[C@H]2[NH3+])cn1 ZINC000424563706 265215025 /nfs/dbraw/zinc/21/50/25/265215025.db2.gz ZVMGBEQYTSWAJN-UONOGXRCSA-N 2 1 334.424 -1.116 20 0 EAADMP CCN1CC[NH+](CCC(=O)N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000428204767 265366997 /nfs/dbraw/zinc/36/69/97/265366997.db2.gz ZXSYBVHZAGJBQA-UHFFFAOYSA-N 2 1 325.457 -1.096 20 0 EAADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000428491498 265399495 /nfs/dbraw/zinc/39/94/95/265399495.db2.gz WQCSOKHIKKTYIN-KBPBESRZSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000428491499 415193217 /nfs/dbraw/zinc/19/32/17/415193217.db2.gz WQCSOKHIKKTYIN-UONOGXRCSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCO ZINC000428550109 415195510 /nfs/dbraw/zinc/19/55/10/415195510.db2.gz USNBFOVVRULCKV-KBPBESRZSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCO ZINC000428550109 415195507 /nfs/dbraw/zinc/19/55/07/415195507.db2.gz USNBFOVVRULCKV-KBPBESRZSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCO ZINC000428550110 374893242 /nfs/dbraw/zinc/89/32/42/374893242.db2.gz USNBFOVVRULCKV-KGLIPLIRSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCO ZINC000428550110 374893238 /nfs/dbraw/zinc/89/32/38/374893238.db2.gz USNBFOVVRULCKV-KGLIPLIRSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCO ZINC000428550111 415193151 /nfs/dbraw/zinc/19/31/51/415193151.db2.gz USNBFOVVRULCKV-UONOGXRCSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCO ZINC000428550111 415193143 /nfs/dbraw/zinc/19/31/43/415193143.db2.gz USNBFOVVRULCKV-UONOGXRCSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+]1CCO ZINC000428550112 415194931 /nfs/dbraw/zinc/19/49/31/415194931.db2.gz USNBFOVVRULCKV-ZIAGYGMSSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@@H+]1CCO ZINC000428550112 415194924 /nfs/dbraw/zinc/19/49/24/415194924.db2.gz USNBFOVVRULCKV-ZIAGYGMSSA-N 2 1 326.441 -1.079 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430604321 264785314 /nfs/dbraw/zinc/78/53/14/264785314.db2.gz MSFASMRANMDNHO-NEPJUHHUSA-N 2 1 343.428 -1.366 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430604322 415012119 /nfs/dbraw/zinc/01/21/19/415012119.db2.gz MSFASMRANMDNHO-NWDGAFQWSA-N 2 1 343.428 -1.366 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430604323 265015235 /nfs/dbraw/zinc/01/52/35/265015235.db2.gz MSFASMRANMDNHO-RYUDHWBXSA-N 2 1 343.428 -1.366 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430604324 265297258 /nfs/dbraw/zinc/29/72/58/265297258.db2.gz MSFASMRANMDNHO-VXGBXAGGSA-N 2 1 343.428 -1.366 20 0 EAADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618369 374899903 /nfs/dbraw/zinc/89/99/03/374899903.db2.gz SYYZXINWMCPYAW-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430618370 265115694 /nfs/dbraw/zinc/11/56/94/265115694.db2.gz SYYZXINWMCPYAW-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430624794 265130946 /nfs/dbraw/zinc/13/09/46/265130946.db2.gz JCDAFYIOSPYMNU-AWEZNQCLSA-N 2 1 325.457 -1.111 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430624794 265130944 /nfs/dbraw/zinc/13/09/44/265130944.db2.gz JCDAFYIOSPYMNU-AWEZNQCLSA-N 2 1 325.457 -1.111 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430624795 374900661 /nfs/dbraw/zinc/90/06/61/374900661.db2.gz JCDAFYIOSPYMNU-CQSZACIVSA-N 2 1 325.457 -1.111 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430624795 374900656 /nfs/dbraw/zinc/90/06/56/374900656.db2.gz JCDAFYIOSPYMNU-CQSZACIVSA-N 2 1 325.457 -1.111 20 0 EAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430628148 415200691 /nfs/dbraw/zinc/20/06/91/415200691.db2.gz OENBZRQYEZWAOD-CYBMUJFWSA-N 2 1 339.440 -1.488 20 0 EAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430628148 415200686 /nfs/dbraw/zinc/20/06/86/415200686.db2.gz OENBZRQYEZWAOD-CYBMUJFWSA-N 2 1 339.440 -1.488 20 0 EAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430628149 518197371 /nfs/dbraw/zinc/19/73/71/518197371.db2.gz OENBZRQYEZWAOD-ZDUSSCGKSA-N 2 1 339.440 -1.488 20 0 EAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000430628149 518197370 /nfs/dbraw/zinc/19/73/70/518197370.db2.gz OENBZRQYEZWAOD-ZDUSSCGKSA-N 2 1 339.440 -1.488 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630355 415011913 /nfs/dbraw/zinc/01/19/13/415011913.db2.gz RXWDRDWFKKVYAE-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430630357 265369987 /nfs/dbraw/zinc/36/99/87/265369987.db2.gz RXWDRDWFKKVYAE-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630617 265167629 /nfs/dbraw/zinc/16/76/29/265167629.db2.gz SNORZRPGLRKHOU-NEPJUHHUSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630617 265167625 /nfs/dbraw/zinc/16/76/25/265167625.db2.gz SNORZRPGLRKHOU-NEPJUHHUSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630620 415200148 /nfs/dbraw/zinc/20/01/48/415200148.db2.gz SNORZRPGLRKHOU-NWDGAFQWSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630620 415200139 /nfs/dbraw/zinc/20/01/39/415200139.db2.gz SNORZRPGLRKHOU-NWDGAFQWSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630621 265321449 /nfs/dbraw/zinc/32/14/49/265321449.db2.gz SNORZRPGLRKHOU-RYUDHWBXSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630621 265321446 /nfs/dbraw/zinc/32/14/46/265321446.db2.gz SNORZRPGLRKHOU-RYUDHWBXSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630777 415200170 /nfs/dbraw/zinc/20/01/70/415200170.db2.gz SNORZRPGLRKHOU-VXGBXAGGSA-N 2 1 327.429 -1.634 20 0 EAADMP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C(=O)N(C)C ZINC000430630777 415200165 /nfs/dbraw/zinc/20/01/65/415200165.db2.gz SNORZRPGLRKHOU-VXGBXAGGSA-N 2 1 327.429 -1.634 20 0 EAADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCNC(=O)C1 ZINC000430636767 415196817 /nfs/dbraw/zinc/19/68/17/415196817.db2.gz ZNZGEJRBYODFRQ-CYBMUJFWSA-N 2 1 337.424 -1.911 20 0 EAADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCNC(=O)C1 ZINC000430636769 415196321 /nfs/dbraw/zinc/19/63/21/415196321.db2.gz ZNZGEJRBYODFRQ-ZDUSSCGKSA-N 2 1 337.424 -1.911 20 0 EAADMP Cn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(=O)n(C)c1=O ZINC000430636925 265039599 /nfs/dbraw/zinc/03/95/99/265039599.db2.gz ZWVGLPQQHFDJHD-CYBMUJFWSA-N 2 1 349.435 -1.272 20 0 EAADMP CC[NH+]1CCN(C(=O)[C@H](C)N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430644308 265006274 /nfs/dbraw/zinc/00/62/74/265006274.db2.gz MZNIHYIXXBFBPR-AWEZNQCLSA-N 2 1 325.457 -1.097 20 0 EAADMP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430644309 415198816 /nfs/dbraw/zinc/19/88/16/415198816.db2.gz MZNIHYIXXBFBPR-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)CC(=O)N1CCNCC1 ZINC000430646548 265242433 /nfs/dbraw/zinc/24/24/33/265242433.db2.gz WLEWPHQIFNYYTD-QWHCGFSZSA-N 2 1 339.440 -1.538 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646991 265335230 /nfs/dbraw/zinc/33/52/30/265335230.db2.gz FKQXXKYVVGWFNC-NEPJUHHUSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646996 265212811 /nfs/dbraw/zinc/21/28/11/265212811.db2.gz FKQXXKYVVGWFNC-RYUDHWBXSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430646998 415197827 /nfs/dbraw/zinc/19/78/27/415197827.db2.gz FKQXXKYVVGWFNC-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)C1 ZINC000432536432 415200088 /nfs/dbraw/zinc/20/00/88/415200088.db2.gz VDWPSCSNDGEOLZ-HRCADAONSA-N 2 1 340.468 -1.037 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000435500464 265004118 /nfs/dbraw/zinc/00/41/18/265004118.db2.gz KUVBKVGRBUQQEV-CQSZACIVSA-N 2 1 332.445 -1.101 20 0 EAADMP Cn1c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(=O)n(C)c1=O ZINC000436069608 415204637 /nfs/dbraw/zinc/20/46/37/415204637.db2.gz YQELEGGOVOLGFU-GFCCVEGCSA-N 2 1 337.424 -1.097 20 0 EAADMP Cn1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(=O)n(C)c1=O ZINC000436069608 415204629 /nfs/dbraw/zinc/20/46/29/415204629.db2.gz YQELEGGOVOLGFU-GFCCVEGCSA-N 2 1 337.424 -1.097 20 0 EAADMP Cn1c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(=O)n(C)c1=O ZINC000436069609 415203801 /nfs/dbraw/zinc/20/38/01/415203801.db2.gz YQELEGGOVOLGFU-LBPRGKRZSA-N 2 1 337.424 -1.097 20 0 EAADMP Cn1c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(=O)n(C)c1=O ZINC000436069609 415203794 /nfs/dbraw/zinc/20/37/94/415203794.db2.gz YQELEGGOVOLGFU-LBPRGKRZSA-N 2 1 337.424 -1.097 20 0 EAADMP C[NH+](CCCO)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCCO)CC1 ZINC000440966865 415208194 /nfs/dbraw/zinc/20/81/94/415208194.db2.gz KAXLSSSXWGMZSU-UHFFFAOYSA-N 2 1 344.456 -1.714 20 0 EAADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791938 265045731 /nfs/dbraw/zinc/04/57/31/265045731.db2.gz OUYHRCCJCPWVQE-KBPBESRZSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791938 265045730 /nfs/dbraw/zinc/04/57/30/265045730.db2.gz OUYHRCCJCPWVQE-KBPBESRZSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791943 265196550 /nfs/dbraw/zinc/19/65/50/265196550.db2.gz OUYHRCCJCPWVQE-KGLIPLIRSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791943 265196545 /nfs/dbraw/zinc/19/65/45/265196545.db2.gz OUYHRCCJCPWVQE-KGLIPLIRSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791945 415212539 /nfs/dbraw/zinc/21/25/39/415212539.db2.gz OUYHRCCJCPWVQE-UONOGXRCSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791945 415212524 /nfs/dbraw/zinc/21/25/24/415212524.db2.gz OUYHRCCJCPWVQE-UONOGXRCSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791946 265034269 /nfs/dbraw/zinc/03/42/69/265034269.db2.gz OUYHRCCJCPWVQE-ZIAGYGMSSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000442791946 265034268 /nfs/dbraw/zinc/03/42/68/265034268.db2.gz OUYHRCCJCPWVQE-ZIAGYGMSSA-N 2 1 325.457 -1.112 20 0 EAADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000444387543 265230559 /nfs/dbraw/zinc/23/05/59/265230559.db2.gz WQCSOKHIKKTYIN-KGLIPLIRSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000444387544 265176265 /nfs/dbraw/zinc/17/62/65/265176265.db2.gz WQCSOKHIKKTYIN-ZIAGYGMSSA-N 2 1 326.441 -1.079 20 0 EAADMP CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CN2CC[C@H](NC(=O)NC)C2)C1 ZINC000447302497 265323183 /nfs/dbraw/zinc/32/31/83/265323183.db2.gz PPAIOKGCRYZDEH-CLLJXQQHSA-N 2 1 342.444 -1.646 20 0 EAADMP CNC(=O)N[C@@H]1CCN(CC(O)C[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000447302504 265386358 /nfs/dbraw/zinc/38/63/58/265386358.db2.gz PPAIOKGCRYZDEH-VXGBXAGGSA-N 2 1 342.444 -1.646 20 0 EAADMP CO[C@@H](C[NH3+])CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000447442944 374927966 /nfs/dbraw/zinc/92/79/66/374927966.db2.gz UJNKHGZWZJBAJL-CYBMUJFWSA-N 2 1 338.412 -1.041 20 0 EAADMP CO[C@H](C[NH3+])CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000447442952 265342087 /nfs/dbraw/zinc/34/20/87/265342087.db2.gz UJNKHGZWZJBAJL-ZDUSSCGKSA-N 2 1 338.412 -1.041 20 0 EAADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)NC ZINC000448855264 374929555 /nfs/dbraw/zinc/92/95/55/374929555.db2.gz XTDMVSGLNVIBAC-CYBMUJFWSA-N 2 1 349.501 -1.085 20 0 EAADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)NC ZINC000448855272 265157778 /nfs/dbraw/zinc/15/77/78/265157778.db2.gz XTDMVSGLNVIBAC-ZDUSSCGKSA-N 2 1 349.501 -1.085 20 0 EAADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457126804 265001809 /nfs/dbraw/zinc/00/18/09/265001809.db2.gz PEYOSIXHMSQRRW-KBPBESRZSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457126804 265001807 /nfs/dbraw/zinc/00/18/07/265001807.db2.gz PEYOSIXHMSQRRW-KBPBESRZSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457126806 265391205 /nfs/dbraw/zinc/39/12/05/265391205.db2.gz PEYOSIXHMSQRRW-KGLIPLIRSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457126806 265391203 /nfs/dbraw/zinc/39/12/03/265391203.db2.gz PEYOSIXHMSQRRW-KGLIPLIRSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457126807 415222397 /nfs/dbraw/zinc/22/23/97/415222397.db2.gz PEYOSIXHMSQRRW-UONOGXRCSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457126807 415222386 /nfs/dbraw/zinc/22/23/86/415222386.db2.gz PEYOSIXHMSQRRW-UONOGXRCSA-N 2 1 326.441 -1.079 20 0 EAADMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000457127465 265362335 /nfs/dbraw/zinc/36/23/35/265362335.db2.gz PEYOSIXHMSQRRW-ZIAGYGMSSA-N 2 1 326.441 -1.079 20 0 EAADMP C[NH+](C)CCOCCNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000471633536 265299680 /nfs/dbraw/zinc/29/96/80/265299680.db2.gz BLQOSMXQNCZUEU-HNNXBMFYSA-N 2 1 332.445 -1.053 20 0 EAADMP C[NH+](C)CCOCCNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000471633537 374954044 /nfs/dbraw/zinc/95/40/44/374954044.db2.gz BLQOSMXQNCZUEU-OAHLLOKOSA-N 2 1 332.445 -1.053 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC2)C1 ZINC000479291424 265060109 /nfs/dbraw/zinc/06/01/09/265060109.db2.gz VDWPSCSNDGEOLZ-OWCLPIDISA-N 2 1 340.468 -1.037 20 0 EAADMP Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(=O)n(C)c1=O ZINC000514863548 264755047 /nfs/dbraw/zinc/75/50/47/264755047.db2.gz YUEBYCWHUDEUIT-PHIMTYICSA-N 2 1 335.408 -1.220 20 0 EAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516492522 415190053 /nfs/dbraw/zinc/19/00/53/415190053.db2.gz MKDBVYXGPVZNRM-CHWSQXEVSA-N 2 1 339.440 -1.395 20 0 EAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516492524 374889253 /nfs/dbraw/zinc/88/92/53/374889253.db2.gz MKDBVYXGPVZNRM-QWHCGFSZSA-N 2 1 339.440 -1.395 20 0 EAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516492525 265052867 /nfs/dbraw/zinc/05/28/67/265052867.db2.gz MKDBVYXGPVZNRM-STQMWFEESA-N 2 1 339.440 -1.395 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000516856948 415256825 /nfs/dbraw/zinc/25/68/25/415256825.db2.gz OUCUFZPSNHCGMD-KBPBESRZSA-N 2 1 341.456 -1.828 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000516856955 415256740 /nfs/dbraw/zinc/25/67/40/415256740.db2.gz OUCUFZPSNHCGMD-KGLIPLIRSA-N 2 1 341.456 -1.828 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000516856956 414835750 /nfs/dbraw/zinc/83/57/50/414835750.db2.gz OUCUFZPSNHCGMD-UONOGXRCSA-N 2 1 341.456 -1.828 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000516856959 265395739 /nfs/dbraw/zinc/39/57/39/265395739.db2.gz OUCUFZPSNHCGMD-ZIAGYGMSSA-N 2 1 341.456 -1.828 20 0 EAADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000517122503 265333534 /nfs/dbraw/zinc/33/35/34/265333534.db2.gz SJNYCYQZTCMURW-APIJFGDWSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000517122503 265333531 /nfs/dbraw/zinc/33/35/31/265333531.db2.gz SJNYCYQZTCMURW-APIJFGDWSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000517122507 374980270 /nfs/dbraw/zinc/98/02/70/374980270.db2.gz SJNYCYQZTCMURW-BYNSBNAKSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000517122507 374980262 /nfs/dbraw/zinc/98/02/62/374980262.db2.gz SJNYCYQZTCMURW-BYNSBNAKSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000517122508 265281230 /nfs/dbraw/zinc/28/12/30/265281230.db2.gz SJNYCYQZTCMURW-KBXIAJHMSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000517122508 265281228 /nfs/dbraw/zinc/28/12/28/265281228.db2.gz SJNYCYQZTCMURW-KBXIAJHMSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000517122509 265375169 /nfs/dbraw/zinc/37/51/69/265375169.db2.gz SJNYCYQZTCMURW-XQLPTFJDSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000517122509 265375166 /nfs/dbraw/zinc/37/51/66/265375166.db2.gz SJNYCYQZTCMURW-XQLPTFJDSA-N 2 1 338.452 -1.032 20 0 EAADMP O=C([C@@H]1CC(F)(F)CN1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000517564552 265243364 /nfs/dbraw/zinc/24/33/64/265243364.db2.gz FSTRWHWJGYYUHC-JTQLQIEISA-N 2 1 338.380 -1.571 20 0 EAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000517903169 265208554 /nfs/dbraw/zinc/20/85/54/265208554.db2.gz QWPUXEQNYCEFID-UHFFFAOYSA-N 2 1 339.440 -1.665 20 0 EAADMP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000517934048 545653234 /nfs/dbraw/zinc/65/32/34/545653234.db2.gz QWWFSUMRACONSA-CMPLNLGQSA-N 2 1 332.426 -2.191 20 0 EAADMP 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ZINC000557246471 374290873 /nfs/dbraw/zinc/29/08/73/374290873.db2.gz ODQLOPXUADGUBD-KBPBESRZSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000557246472 374290264 /nfs/dbraw/zinc/29/02/64/374290264.db2.gz ODQLOPXUADGUBD-KGLIPLIRSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000557246473 374289694 /nfs/dbraw/zinc/28/96/94/374289694.db2.gz ODQLOPXUADGUBD-UONOGXRCSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000557246474 374289333 /nfs/dbraw/zinc/28/93/33/374289333.db2.gz ODQLOPXUADGUBD-ZIAGYGMSSA-N 2 1 325.457 -1.064 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])[nH+]c1 ZINC000557269413 415422888 /nfs/dbraw/zinc/42/28/88/415422888.db2.gz ZELVJYBBOQZQCX-AWEZNQCLSA-N 2 1 348.451 -0.590 20 0 EAADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])[nH+]c1 ZINC000557269414 415420951 /nfs/dbraw/zinc/42/09/51/415420951.db2.gz ZELVJYBBOQZQCX-CQSZACIVSA-N 2 1 348.451 -0.590 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000557318983 374291988 /nfs/dbraw/zinc/29/19/88/374291988.db2.gz MZBRGYVYVMTAFV-CYBMUJFWSA-N 2 1 339.440 -1.667 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000557318983 374291978 /nfs/dbraw/zinc/29/19/78/374291978.db2.gz MZBRGYVYVMTAFV-CYBMUJFWSA-N 2 1 339.440 -1.667 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000557318984 374291857 /nfs/dbraw/zinc/29/18/57/374291857.db2.gz MZBRGYVYVMTAFV-ZDUSSCGKSA-N 2 1 339.440 -1.667 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000557318984 374291843 /nfs/dbraw/zinc/29/18/43/374291843.db2.gz MZBRGYVYVMTAFV-ZDUSSCGKSA-N 2 1 339.440 -1.667 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561253304 374365440 /nfs/dbraw/zinc/36/54/40/374365440.db2.gz KIJLCEOFWQMLRQ-CYBMUJFWSA-N 2 1 329.445 -1.828 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561253311 374364062 /nfs/dbraw/zinc/36/40/62/374364062.db2.gz KIJLCEOFWQMLRQ-ZDUSSCGKSA-N 2 1 329.445 -1.828 20 0 EAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000561256466 374365073 /nfs/dbraw/zinc/36/50/73/374365073.db2.gz ZEXILSQHXUOUFT-KBPBESRZSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000561256469 374365366 /nfs/dbraw/zinc/36/53/66/374365366.db2.gz ZEXILSQHXUOUFT-KGLIPLIRSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000561256470 374364851 /nfs/dbraw/zinc/36/48/51/374364851.db2.gz ZEXILSQHXUOUFT-UONOGXRCSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000561256472 374364375 /nfs/dbraw/zinc/36/43/75/374364375.db2.gz ZEXILSQHXUOUFT-ZIAGYGMSSA-N 2 1 325.457 -1.064 20 0 EAADMP [NH3+][C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000562815061 374376595 /nfs/dbraw/zinc/37/65/95/374376595.db2.gz DVXWKTAOUZADQS-GFCCVEGCSA-N 2 1 331.442 -1.648 20 0 EAADMP [NH3+][C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000562815062 374376010 /nfs/dbraw/zinc/37/60/10/374376010.db2.gz DVXWKTAOUZADQS-LBPRGKRZSA-N 2 1 331.442 -1.648 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C ZINC000562831801 374376233 /nfs/dbraw/zinc/37/62/33/374376233.db2.gz PQLUFMJASLGLJE-UHFFFAOYSA-N 2 1 327.429 -1.619 20 0 EAADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153051 374546370 /nfs/dbraw/zinc/54/63/70/374546370.db2.gz QZMQHZVAQZUFRR-CYBMUJFWSA-N 2 1 340.424 -1.191 20 0 EAADMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153052 374545405 /nfs/dbraw/zinc/54/54/05/374545405.db2.gz QZMQHZVAQZUFRR-ZDUSSCGKSA-N 2 1 340.424 -1.191 20 0 EAADMP O=C(CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000563153079 374545819 /nfs/dbraw/zinc/54/58/19/374545819.db2.gz XTKWRWSYQVDVLE-HNNXBMFYSA-N 3 1 337.468 -1.048 20 0 EAADMP O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000563153106 374546803 /nfs/dbraw/zinc/54/68/03/374546803.db2.gz XTKWRWSYQVDVLE-OAHLLOKOSA-N 3 1 337.468 -1.048 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563158457 374555341 /nfs/dbraw/zinc/55/53/41/374555341.db2.gz RZYYMXGRVDNLNT-DOMZBBRYSA-N 2 1 339.440 -1.491 20 0 EAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000563158458 374555461 /nfs/dbraw/zinc/55/54/61/374555461.db2.gz RZYYMXGRVDNLNT-WFASDCNBSA-N 2 1 339.440 -1.491 20 0 EAADMP C[NH2+]CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563161374 374558345 /nfs/dbraw/zinc/55/83/45/374558345.db2.gz VYQJWNGHWMLJFU-UHFFFAOYSA-N 2 1 325.457 -1.097 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563454775 374596024 /nfs/dbraw/zinc/59/60/24/374596024.db2.gz PDJJNGZUVOOSFC-CABNGKKXSA-N 2 1 349.435 -1.644 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563454791 374596433 /nfs/dbraw/zinc/59/64/33/374596433.db2.gz PDJJNGZUVOOSFC-SAXRGWBVSA-N 2 1 349.435 -1.644 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563454793 374595952 /nfs/dbraw/zinc/59/59/52/374595952.db2.gz PDJJNGZUVOOSFC-ZRJCITRHSA-N 2 1 349.435 -1.644 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563454794 374596282 /nfs/dbraw/zinc/59/62/82/374596282.db2.gz PDJJNGZUVOOSFC-ZZVYKPCYSA-N 2 1 349.435 -1.644 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563521542 374595698 /nfs/dbraw/zinc/59/56/98/374595698.db2.gz RQJASGBKDYNMFR-CYBMUJFWSA-N 2 1 327.429 -1.172 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563521543 374595640 /nfs/dbraw/zinc/59/56/40/374595640.db2.gz RQJASGBKDYNMFR-ZDUSSCGKSA-N 2 1 327.429 -1.172 20 0 EAADMP O=C(CNC(=O)C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH2+]CC1 ZINC000563660702 374597846 /nfs/dbraw/zinc/59/78/46/374597846.db2.gz PBRDPAYRVPPQBZ-UHFFFAOYSA-N 2 1 337.424 -1.769 20 0 EAADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000563900498 374733700 /nfs/dbraw/zinc/73/37/00/374733700.db2.gz XMELZZSLTKCGOK-AVGNSLFASA-N 2 1 337.424 -1.643 20 0 EAADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000563900507 374734069 /nfs/dbraw/zinc/73/40/69/374734069.db2.gz XMELZZSLTKCGOK-RWMBFGLXSA-N 2 1 337.424 -1.643 20 0 EAADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000563900508 374733881 /nfs/dbraw/zinc/73/38/81/374733881.db2.gz XMELZZSLTKCGOK-XQQFMLRXSA-N 2 1 337.424 -1.643 20 0 EAADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000563900511 374733494 /nfs/dbraw/zinc/73/34/94/374733494.db2.gz XMELZZSLTKCGOK-YNEHKIRRSA-N 2 1 337.424 -1.643 20 0 EAADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C[NH+]1CCOCC1 ZINC000564584904 375050578 /nfs/dbraw/zinc/05/05/78/375050578.db2.gz IQOFPIIMINABDK-HZSPNIEDSA-N 2 1 339.440 -1.092 20 0 EAADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000564584905 375051104 /nfs/dbraw/zinc/05/11/04/375051104.db2.gz IQOFPIIMINABDK-MCIONIFRSA-N 2 1 339.440 -1.092 20 0 EAADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000564584906 375051921 /nfs/dbraw/zinc/05/19/21/375051921.db2.gz IQOFPIIMINABDK-MGPQQGTHSA-N 2 1 339.440 -1.092 20 0 EAADMP C[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C[NH+]1CCOCC1 ZINC000564584907 375051607 /nfs/dbraw/zinc/05/16/07/375051607.db2.gz IQOFPIIMINABDK-RDBSUJKOSA-N 2 1 339.440 -1.092 20 0 EAADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000564787711 374543119 /nfs/dbraw/zinc/54/31/19/374543119.db2.gz VHAFYYYPKOPCBD-UHFFFAOYSA-N 2 1 346.435 -1.202 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)[C@H](C[NH3+])C1 ZINC000564827251 375050909 /nfs/dbraw/zinc/05/09/09/375050909.db2.gz NSNQCFBOVFXTBV-CYBMUJFWSA-N 2 1 341.456 -1.997 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)[C@@H](C[NH3+])C1 ZINC000564827252 375051000 /nfs/dbraw/zinc/05/10/00/375051000.db2.gz NSNQCFBOVFXTBV-ZDUSSCGKSA-N 2 1 341.456 -1.997 20 0 EAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000564988207 375053383 /nfs/dbraw/zinc/05/33/83/375053383.db2.gz BMYYHADXFNXTCG-GFCCVEGCSA-N 2 1 328.413 -1.205 20 0 EAADMP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000564988208 375052855 /nfs/dbraw/zinc/05/28/55/375052855.db2.gz BMYYHADXFNXTCG-LBPRGKRZSA-N 2 1 328.413 -1.205 20 0 EAADMP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564990467 374359929 /nfs/dbraw/zinc/35/99/29/374359929.db2.gz AZLUNLZZHLTWKA-GFCCVEGCSA-N 2 1 328.413 -1.015 20 0 EAADMP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564990467 374359924 /nfs/dbraw/zinc/35/99/24/374359924.db2.gz AZLUNLZZHLTWKA-GFCCVEGCSA-N 2 1 328.413 -1.015 20 0 EAADMP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564990485 374360820 /nfs/dbraw/zinc/36/08/20/374360820.db2.gz AZLUNLZZHLTWKA-LBPRGKRZSA-N 2 1 328.413 -1.015 20 0 EAADMP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564990485 374360815 /nfs/dbraw/zinc/36/08/15/374360815.db2.gz AZLUNLZZHLTWKA-LBPRGKRZSA-N 2 1 328.413 -1.015 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565252961 375057386 /nfs/dbraw/zinc/05/73/86/375057386.db2.gz FZXQPRSXCZPEJE-CHWSQXEVSA-N 2 1 327.429 -1.092 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565252962 375057044 /nfs/dbraw/zinc/05/70/44/375057044.db2.gz FZXQPRSXCZPEJE-OLZOCXBDSA-N 2 1 327.429 -1.092 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565252963 375057558 /nfs/dbraw/zinc/05/75/58/375057558.db2.gz FZXQPRSXCZPEJE-QWHCGFSZSA-N 2 1 327.429 -1.092 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565252964 375057831 /nfs/dbraw/zinc/05/78/31/375057831.db2.gz FZXQPRSXCZPEJE-STQMWFEESA-N 2 1 327.429 -1.092 20 0 EAADMP CN(CCC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000565254894 374412677 /nfs/dbraw/zinc/41/26/77/374412677.db2.gz PYFAGKFVMHOFDC-GFCCVEGCSA-N 2 1 327.429 -1.503 20 0 EAADMP CN(CCC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000565254896 374412145 /nfs/dbraw/zinc/41/21/45/374412145.db2.gz PYFAGKFVMHOFDC-LBPRGKRZSA-N 2 1 327.429 -1.503 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565256049 375057765 /nfs/dbraw/zinc/05/77/65/375057765.db2.gz YVMZUUVGTMZECH-CYZMBNFOSA-N 2 1 335.408 -1.890 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565256050 375056969 /nfs/dbraw/zinc/05/69/69/375056969.db2.gz YVMZUUVGTMZECH-KGYLQXTDSA-N 2 1 335.408 -1.890 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565256051 375056902 /nfs/dbraw/zinc/05/69/02/375056902.db2.gz YVMZUUVGTMZECH-RAIGVLPGSA-N 2 1 335.408 -1.890 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565256052 375058051 /nfs/dbraw/zinc/05/80/51/375058051.db2.gz YVMZUUVGTMZECH-WCFLWFBJSA-N 2 1 335.408 -1.890 20 0 EAADMP O=C(CCOC1C[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000565891129 375060128 /nfs/dbraw/zinc/06/01/28/375060128.db2.gz LWRBEWDTYOFWBC-UHFFFAOYSA-N 2 1 332.426 -2.189 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565941566 375060384 /nfs/dbraw/zinc/06/03/84/375060384.db2.gz TWLVDZXGGMGHJZ-CYBMUJFWSA-N 2 1 329.445 -1.828 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000565941567 375059993 /nfs/dbraw/zinc/05/99/93/375059993.db2.gz TWLVDZXGGMGHJZ-ZDUSSCGKSA-N 2 1 329.445 -1.828 20 0 EAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000566091887 375061079 /nfs/dbraw/zinc/06/10/79/375061079.db2.gz NSBFGIQRYFYJJX-AWEZNQCLSA-N 2 1 325.457 -1.112 20 0 EAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000566091892 375062625 /nfs/dbraw/zinc/06/26/25/375062625.db2.gz NSBFGIQRYFYJJX-CQSZACIVSA-N 2 1 325.457 -1.112 20 0 EAADMP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000566157694 375061385 /nfs/dbraw/zinc/06/13/85/375061385.db2.gz MXQIDFDLUXKUCX-NWDGAFQWSA-N 2 1 328.413 -1.064 20 0 EAADMP COC(=O)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000566157695 375061770 /nfs/dbraw/zinc/06/17/70/375061770.db2.gz MXQIDFDLUXKUCX-RYUDHWBXSA-N 2 1 328.413 -1.064 20 0 EAADMP O=C(C[C@@H]1COCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566208205 375061896 /nfs/dbraw/zinc/06/18/96/375061896.db2.gz IHHUCIBUYYXOJD-LLVKDONJSA-N 2 1 332.426 -2.189 20 0 EAADMP O=C(C[C@H]1COCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566208212 374339373 /nfs/dbraw/zinc/33/93/73/374339373.db2.gz IHHUCIBUYYXOJD-NSHDSACASA-N 2 1 332.426 -2.189 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511209 375066417 /nfs/dbraw/zinc/06/64/17/375066417.db2.gz MEHDZBLTAHZQSB-AAVRWANBSA-N 2 1 349.435 -1.500 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511210 375066303 /nfs/dbraw/zinc/06/63/03/375066303.db2.gz MEHDZBLTAHZQSB-MQYQWHSLSA-N 2 1 349.435 -1.500 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000566511211 375066238 /nfs/dbraw/zinc/06/62/38/375066238.db2.gz MEHDZBLTAHZQSB-SYQHCUMBSA-N 2 1 349.435 -1.500 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000566511212 375066387 /nfs/dbraw/zinc/06/63/87/375066387.db2.gz MEHDZBLTAHZQSB-YIYPIFLZSA-N 2 1 349.435 -1.500 20 0 EAADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000566569212 374367786 /nfs/dbraw/zinc/36/77/86/374367786.db2.gz LQDOJCRPVQACQW-CHWSQXEVSA-N 2 1 338.474 -1.569 20 0 EAADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000566569212 374367780 /nfs/dbraw/zinc/36/77/80/374367780.db2.gz LQDOJCRPVQACQW-CHWSQXEVSA-N 2 1 338.474 -1.569 20 0 EAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000566569212 374367774 /nfs/dbraw/zinc/36/77/74/374367774.db2.gz LQDOJCRPVQACQW-CHWSQXEVSA-N 2 1 338.474 -1.569 20 0 EAADMP COCCN(C)C[C@H](O)C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000566569213 374367463 /nfs/dbraw/zinc/36/74/63/374367463.db2.gz LQDOJCRPVQACQW-OLZOCXBDSA-N 2 1 338.474 -1.569 20 0 EAADMP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000566569213 374367452 /nfs/dbraw/zinc/36/74/52/374367452.db2.gz LQDOJCRPVQACQW-OLZOCXBDSA-N 2 1 338.474 -1.569 20 0 EAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000566569213 374367442 /nfs/dbraw/zinc/36/74/42/374367442.db2.gz LQDOJCRPVQACQW-OLZOCXBDSA-N 2 1 338.474 -1.569 20 0 EAADMP COCCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000566569214 374367296 /nfs/dbraw/zinc/36/72/96/374367296.db2.gz LQDOJCRPVQACQW-QWHCGFSZSA-N 2 1 338.474 -1.569 20 0 EAADMP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000566569214 374367292 /nfs/dbraw/zinc/36/72/92/374367292.db2.gz LQDOJCRPVQACQW-QWHCGFSZSA-N 2 1 338.474 -1.569 20 0 EAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000566569214 374367283 /nfs/dbraw/zinc/36/72/83/374367283.db2.gz LQDOJCRPVQACQW-QWHCGFSZSA-N 2 1 338.474 -1.569 20 0 EAADMP O=C(NCC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566787164 375067171 /nfs/dbraw/zinc/06/71/71/375067171.db2.gz ZMSHGNQMQIXNNB-UHFFFAOYSA-N 2 1 345.469 -1.385 20 0 EAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000567384044 375071505 /nfs/dbraw/zinc/07/15/05/375071505.db2.gz PDIBWWPZNSMKJB-CHWSQXEVSA-N 2 1 337.424 -1.723 20 0 EAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000567384045 375072499 /nfs/dbraw/zinc/07/24/99/375072499.db2.gz PDIBWWPZNSMKJB-OLZOCXBDSA-N 2 1 337.424 -1.723 20 0 EAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000567384046 375072346 /nfs/dbraw/zinc/07/23/46/375072346.db2.gz PDIBWWPZNSMKJB-QWHCGFSZSA-N 2 1 337.424 -1.723 20 0 EAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000567384047 375072572 /nfs/dbraw/zinc/07/25/72/375072572.db2.gz PDIBWWPZNSMKJB-STQMWFEESA-N 2 1 337.424 -1.723 20 0 EAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000567500979 375072240 /nfs/dbraw/zinc/07/22/40/375072240.db2.gz ZBLAGYNKARUGHW-IUODEOHRSA-N 2 1 342.465 -1.178 20 0 EAADMP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)O1 ZINC000567611831 375072650 /nfs/dbraw/zinc/07/26/50/375072650.db2.gz OLGCUNTWTZOBKU-PWSUYJOCSA-N 2 1 332.426 -2.062 20 0 EAADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567842893 375073841 /nfs/dbraw/zinc/07/38/41/375073841.db2.gz BEAPUELOCDCGKC-CHWSQXEVSA-N 2 1 330.454 -1.180 20 0 EAADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567842894 375074503 /nfs/dbraw/zinc/07/45/03/375074503.db2.gz BEAPUELOCDCGKC-OLZOCXBDSA-N 2 1 330.454 -1.180 20 0 EAADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567842895 374538532 /nfs/dbraw/zinc/53/85/32/374538532.db2.gz BEAPUELOCDCGKC-QWHCGFSZSA-N 2 1 330.454 -1.180 20 0 EAADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567842896 374538364 /nfs/dbraw/zinc/53/83/64/374538364.db2.gz BEAPUELOCDCGKC-STQMWFEESA-N 2 1 330.454 -1.180 20 0 EAADMP O=C(C[C@@H]1C[NH2+]CCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567897657 375077355 /nfs/dbraw/zinc/07/73/55/375077355.db2.gz LFEXIFJEQBAENL-LLVKDONJSA-N 2 1 332.426 -2.189 20 0 EAADMP O=C(C[C@H]1C[NH2+]CCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567897658 375076221 /nfs/dbraw/zinc/07/62/21/375076221.db2.gz LFEXIFJEQBAENL-NSHDSACASA-N 2 1 332.426 -2.189 20 0 EAADMP COC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000567925798 375076392 /nfs/dbraw/zinc/07/63/92/375076392.db2.gz UTPRMMUYTPTLMU-UHFFFAOYSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C([C@H]1CCCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567926246 375077256 /nfs/dbraw/zinc/07/72/56/375077256.db2.gz DPIWZQFSLLPIQW-CYBMUJFWSA-N 2 1 330.454 -1.036 20 0 EAADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000567926247 375077427 /nfs/dbraw/zinc/07/74/27/375077427.db2.gz DPIWZQFSLLPIQW-ZDUSSCGKSA-N 2 1 330.454 -1.036 20 0 EAADMP C[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000567926647 375076606 /nfs/dbraw/zinc/07/66/06/375076606.db2.gz MUWLLEWWNZMWJA-AWEZNQCLSA-N 2 1 330.454 -1.178 20 0 EAADMP C[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]C1 ZINC000567926648 375076529 /nfs/dbraw/zinc/07/65/29/375076529.db2.gz MUWLLEWWNZMWJA-CQSZACIVSA-N 2 1 330.454 -1.178 20 0 EAADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000568374680 375082643 /nfs/dbraw/zinc/08/26/43/375082643.db2.gz YAKOFQAHIZKAOE-CHWSQXEVSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000568374680 375082638 /nfs/dbraw/zinc/08/26/38/375082638.db2.gz YAKOFQAHIZKAOE-CHWSQXEVSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000568374681 375082394 /nfs/dbraw/zinc/08/23/94/375082394.db2.gz YAKOFQAHIZKAOE-OLZOCXBDSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C ZINC000568374681 375082391 /nfs/dbraw/zinc/08/23/91/375082391.db2.gz YAKOFQAHIZKAOE-OLZOCXBDSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000568374682 375082790 /nfs/dbraw/zinc/08/27/90/375082790.db2.gz YAKOFQAHIZKAOE-QWHCGFSZSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000568374682 375082785 /nfs/dbraw/zinc/08/27/85/375082785.db2.gz YAKOFQAHIZKAOE-QWHCGFSZSA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000568374683 375083131 /nfs/dbraw/zinc/08/31/31/375083131.db2.gz YAKOFQAHIZKAOE-STQMWFEESA-N 2 1 339.440 -1.525 20 0 EAADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C ZINC000568374683 375083124 /nfs/dbraw/zinc/08/31/24/375083124.db2.gz YAKOFQAHIZKAOE-STQMWFEESA-N 2 1 339.440 -1.525 20 0 EAADMP CSCC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000568509471 375082852 /nfs/dbraw/zinc/08/28/52/375082852.db2.gz MNURFIXDAMYHEE-NSHDSACASA-N 2 1 336.483 -1.487 20 0 EAADMP COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000568746972 375084831 /nfs/dbraw/zinc/08/48/31/375084831.db2.gz ZUYLHYNRSDXTOP-NEPJUHHUSA-N 2 1 328.413 -1.016 20 0 EAADMP CN(CCCN(C)C(=O)NCC(=O)N1CC[NH2+]CC1)CC[NH+](C)C ZINC000569094008 375086916 /nfs/dbraw/zinc/08/69/16/375086916.db2.gz GDQRTCMEUGWXRV-UHFFFAOYSA-N 2 1 342.488 -1.057 20 0 EAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000569094008 375086908 /nfs/dbraw/zinc/08/69/08/375086908.db2.gz GDQRTCMEUGWXRV-UHFFFAOYSA-N 2 1 342.488 -1.057 20 0 EAADMP O=C(C[C@@H]1CSCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569724400 374388834 /nfs/dbraw/zinc/38/88/34/374388834.db2.gz XNZRGZVJYPGGBL-LLVKDONJSA-N 2 1 348.494 -1.473 20 0 EAADMP O=C(C[C@H]1CSCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000569724401 374389225 /nfs/dbraw/zinc/38/92/25/374389225.db2.gz XNZRGZVJYPGGBL-NSHDSACASA-N 2 1 348.494 -1.473 20 0 EAADMP [NH3+][C@H](CC(F)F)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000570514405 374398887 /nfs/dbraw/zinc/39/88/87/374398887.db2.gz LIDJBHZHRUYGRC-SECBINFHSA-N 2 1 326.369 -1.585 20 0 EAADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000570514410 374399635 /nfs/dbraw/zinc/39/96/35/374399635.db2.gz LIDJBHZHRUYGRC-VIFPVBQESA-N 2 1 326.369 -1.585 20 0 EAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000571031354 374576085 /nfs/dbraw/zinc/57/60/85/374576085.db2.gz HWJLFPJGENPSQY-UHFFFAOYSA-N 2 1 327.429 -1.618 20 0 EAADMP CSCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571081639 374597601 /nfs/dbraw/zinc/59/76/01/374597601.db2.gz MNURFIXDAMYHEE-LLVKDONJSA-N 2 1 336.483 -1.487 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1C ZINC000571394960 374605780 /nfs/dbraw/zinc/60/57/80/374605780.db2.gz HLJCAFGKMKJDFX-KBPBESRZSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000571394960 374605773 /nfs/dbraw/zinc/60/57/73/374605773.db2.gz HLJCAFGKMKJDFX-KBPBESRZSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1C ZINC000571394961 374605138 /nfs/dbraw/zinc/60/51/38/374605138.db2.gz HLJCAFGKMKJDFX-KGLIPLIRSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1C ZINC000571394961 374605132 /nfs/dbraw/zinc/60/51/32/374605132.db2.gz HLJCAFGKMKJDFX-KGLIPLIRSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1C ZINC000571394962 374605567 /nfs/dbraw/zinc/60/55/67/374605567.db2.gz HLJCAFGKMKJDFX-UONOGXRCSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@@H+]1C ZINC000571394962 374605558 /nfs/dbraw/zinc/60/55/58/374605558.db2.gz HLJCAFGKMKJDFX-UONOGXRCSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@H+]1C ZINC000571394963 374604689 /nfs/dbraw/zinc/60/46/89/374604689.db2.gz HLJCAFGKMKJDFX-ZIAGYGMSSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC[N@@H+]1C ZINC000571394963 374604684 /nfs/dbraw/zinc/60/46/84/374604684.db2.gz HLJCAFGKMKJDFX-ZIAGYGMSSA-N 2 1 325.457 -1.114 20 0 EAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000571703035 374838133 /nfs/dbraw/zinc/83/81/33/374838133.db2.gz VTSLHALGTKJDAD-CYBMUJFWSA-N 2 1 341.456 -1.148 20 0 EAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)CCC[NH3+] ZINC000571703036 374838767 /nfs/dbraw/zinc/83/87/67/374838767.db2.gz VTSLHALGTKJDAD-ZDUSSCGKSA-N 2 1 341.456 -1.148 20 0 EAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571820037 374839880 /nfs/dbraw/zinc/83/98/80/374839880.db2.gz AJCFLGFZRQRXCD-AVGNSLFASA-N 2 1 339.440 -1.397 20 0 EAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571820040 374840095 /nfs/dbraw/zinc/84/00/95/374840095.db2.gz AJCFLGFZRQRXCD-RWMBFGLXSA-N 2 1 339.440 -1.397 20 0 EAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571820041 374840117 /nfs/dbraw/zinc/84/01/17/374840117.db2.gz AJCFLGFZRQRXCD-XQQFMLRXSA-N 2 1 339.440 -1.397 20 0 EAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571820044 374839700 /nfs/dbraw/zinc/83/97/00/374839700.db2.gz AJCFLGFZRQRXCD-YNEHKIRRSA-N 2 1 339.440 -1.397 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572017341 374841882 /nfs/dbraw/zinc/84/18/82/374841882.db2.gz YMGMRGWRNOXOCN-LBPRGKRZSA-N 2 1 325.413 -1.913 20 0 EAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572137466 374841821 /nfs/dbraw/zinc/84/18/21/374841821.db2.gz OCCDBTQICYFGCJ-GFCCVEGCSA-N 2 1 327.429 -1.619 20 0 EAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572137467 374841737 /nfs/dbraw/zinc/84/17/37/374841737.db2.gz OCCDBTQICYFGCJ-LBPRGKRZSA-N 2 1 327.429 -1.619 20 0 EAADMP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)[N@@H+]1CCO ZINC000572263095 374844255 /nfs/dbraw/zinc/84/42/55/374844255.db2.gz CXYFXLDJSBXVOP-BETUJISGSA-N 2 1 327.429 -1.485 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572543445 375047051 /nfs/dbraw/zinc/04/70/51/375047051.db2.gz IKNJPPBZMRJDTG-QWHCGFSZSA-N 2 1 337.424 -1.771 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000572543446 375047813 /nfs/dbraw/zinc/04/78/13/375047813.db2.gz IKNJPPBZMRJDTG-STQMWFEESA-N 2 1 337.424 -1.771 20 0 EAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572619236 375089967 /nfs/dbraw/zinc/08/99/67/375089967.db2.gz BTPDGXVDLKUTIM-CYBMUJFWSA-N 2 1 341.456 -1.095 20 0 EAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000572619238 374367728 /nfs/dbraw/zinc/36/77/28/374367728.db2.gz BTPDGXVDLKUTIM-ZDUSSCGKSA-N 2 1 341.456 -1.095 20 0 EAADMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000572764869 374399961 /nfs/dbraw/zinc/39/99/61/374399961.db2.gz QWWFSUMRACONSA-ZYHUDNBSSA-N 2 1 332.426 -2.191 20 0 EAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572868857 375089785 /nfs/dbraw/zinc/08/97/85/375089785.db2.gz MGVMXOGWFQFGGI-MCIONIFRSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572868857 375089777 /nfs/dbraw/zinc/08/97/77/375089777.db2.gz MGVMXOGWFQFGGI-MCIONIFRSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572868858 375088928 /nfs/dbraw/zinc/08/89/28/375088928.db2.gz MGVMXOGWFQFGGI-MELADBBJSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572868858 375088923 /nfs/dbraw/zinc/08/89/23/375088923.db2.gz MGVMXOGWFQFGGI-MELADBBJSA-N 2 1 338.452 -1.032 20 0 EAADMP [NH3+][C@@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC000573322922 375094134 /nfs/dbraw/zinc/09/41/34/375094134.db2.gz JYXUXSXWGOBHJQ-CYBMUJFWSA-N 2 1 346.453 -1.814 20 0 EAADMP [NH3+][C@H](C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CCOCC1 ZINC000573322923 375094961 /nfs/dbraw/zinc/09/49/61/375094961.db2.gz JYXUXSXWGOBHJQ-ZDUSSCGKSA-N 2 1 346.453 -1.814 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000573460480 375093805 /nfs/dbraw/zinc/09/38/05/375093805.db2.gz YDIXVVQQPREISB-CHWSQXEVSA-N 2 1 337.424 -1.643 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000573460484 375094983 /nfs/dbraw/zinc/09/49/83/375094983.db2.gz YDIXVVQQPREISB-OLZOCXBDSA-N 2 1 337.424 -1.643 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000573460486 375093660 /nfs/dbraw/zinc/09/36/60/375093660.db2.gz YDIXVVQQPREISB-QWHCGFSZSA-N 2 1 337.424 -1.643 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000573460488 375093593 /nfs/dbraw/zinc/09/35/93/375093593.db2.gz YDIXVVQQPREISB-STQMWFEESA-N 2 1 337.424 -1.643 20 0 EAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000573585809 375095978 /nfs/dbraw/zinc/09/59/78/375095978.db2.gz PACUBNJFFFTMGZ-CYBMUJFWSA-N 2 1 339.440 -1.618 20 0 EAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000573585813 375095633 /nfs/dbraw/zinc/09/56/33/375095633.db2.gz PACUBNJFFFTMGZ-ZDUSSCGKSA-N 2 1 339.440 -1.618 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573625759 375095599 /nfs/dbraw/zinc/09/55/99/375095599.db2.gz FZEQQNITXKUBIH-CHWSQXEVSA-N 2 1 327.429 -1.092 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573625760 375096300 /nfs/dbraw/zinc/09/63/00/375096300.db2.gz FZEQQNITXKUBIH-OLZOCXBDSA-N 2 1 327.429 -1.092 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573625794 375096502 /nfs/dbraw/zinc/09/65/02/375096502.db2.gz FZEQQNITXKUBIH-QWHCGFSZSA-N 2 1 327.429 -1.092 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573625795 375096104 /nfs/dbraw/zinc/09/61/04/375096104.db2.gz FZEQQNITXKUBIH-STQMWFEESA-N 2 1 327.429 -1.092 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000574652685 375101414 /nfs/dbraw/zinc/10/14/14/375101414.db2.gz VLVKCLQGKLUWQX-KGYLQXTDSA-N 2 1 337.424 -1.644 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000574652686 375100324 /nfs/dbraw/zinc/10/03/24/375100324.db2.gz VLVKCLQGKLUWQX-RAIGVLPGSA-N 2 1 337.424 -1.644 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000574652687 375099722 /nfs/dbraw/zinc/09/97/22/375099722.db2.gz VLVKCLQGKLUWQX-RTXFEEFZSA-N 2 1 337.424 -1.644 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000574652688 375100897 /nfs/dbraw/zinc/10/08/97/375100897.db2.gz VLVKCLQGKLUWQX-WXHSDQCUSA-N 2 1 337.424 -1.644 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000575138700 375103479 /nfs/dbraw/zinc/10/34/79/375103479.db2.gz JVSGGAMQMKCANP-AVGNSLFASA-N 2 1 325.413 -1.340 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000575138701 375102380 /nfs/dbraw/zinc/10/23/80/375102380.db2.gz JVSGGAMQMKCANP-RWMBFGLXSA-N 2 1 325.413 -1.340 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000575138702 375102746 /nfs/dbraw/zinc/10/27/46/375102746.db2.gz JVSGGAMQMKCANP-XQQFMLRXSA-N 2 1 325.413 -1.340 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000575138703 375102518 /nfs/dbraw/zinc/10/25/18/375102518.db2.gz JVSGGAMQMKCANP-YNEHKIRRSA-N 2 1 325.413 -1.340 20 0 EAADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000575802622 374631457 /nfs/dbraw/zinc/63/14/57/374631457.db2.gz RNQXDCCTJRQFMZ-VXGBXAGGSA-N 2 1 330.454 -1.050 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000575882215 375105566 /nfs/dbraw/zinc/10/55/66/375105566.db2.gz MPERXKOQOYZSCP-AGIUHOORSA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000575882215 375105564 /nfs/dbraw/zinc/10/55/64/375105564.db2.gz MPERXKOQOYZSCP-AGIUHOORSA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000575882216 375105639 /nfs/dbraw/zinc/10/56/39/375105639.db2.gz MPERXKOQOYZSCP-FRRDWIJNSA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000575882216 375105635 /nfs/dbraw/zinc/10/56/35/375105635.db2.gz MPERXKOQOYZSCP-FRRDWIJNSA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000575882217 375104447 /nfs/dbraw/zinc/10/44/47/375104447.db2.gz MPERXKOQOYZSCP-JHJVBQTASA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000575882217 375104440 /nfs/dbraw/zinc/10/44/40/375104440.db2.gz MPERXKOQOYZSCP-JHJVBQTASA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000575882218 375105093 /nfs/dbraw/zinc/10/50/93/375105093.db2.gz MPERXKOQOYZSCP-UPJWGTAASA-N 2 1 330.454 -1.098 20 0 EAADMP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000575882218 375105085 /nfs/dbraw/zinc/10/50/85/375105085.db2.gz MPERXKOQOYZSCP-UPJWGTAASA-N 2 1 330.454 -1.098 20 0 EAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575902752 375105498 /nfs/dbraw/zinc/10/54/98/375105498.db2.gz WAWIVDWVEOLDAG-CYBMUJFWSA-N 2 1 339.440 -1.667 20 0 EAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575902752 375105494 /nfs/dbraw/zinc/10/54/94/375105494.db2.gz WAWIVDWVEOLDAG-CYBMUJFWSA-N 2 1 339.440 -1.667 20 0 EAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575902753 375104372 /nfs/dbraw/zinc/10/43/72/375104372.db2.gz WAWIVDWVEOLDAG-ZDUSSCGKSA-N 2 1 339.440 -1.667 20 0 EAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575902753 375104364 /nfs/dbraw/zinc/10/43/64/375104364.db2.gz WAWIVDWVEOLDAG-ZDUSSCGKSA-N 2 1 339.440 -1.667 20 0 EAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000576465101 375111319 /nfs/dbraw/zinc/11/13/19/375111319.db2.gz CLSNMLAEWFIEGN-AVGNSLFASA-N 2 1 341.456 -1.068 20 0 EAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000576465102 375111770 /nfs/dbraw/zinc/11/17/70/375111770.db2.gz CLSNMLAEWFIEGN-RWMBFGLXSA-N 2 1 341.456 -1.068 20 0 EAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000576465103 375111068 /nfs/dbraw/zinc/11/10/68/375111068.db2.gz CLSNMLAEWFIEGN-XQQFMLRXSA-N 2 1 341.456 -1.068 20 0 EAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000576465104 375110935 /nfs/dbraw/zinc/11/09/35/375110935.db2.gz CLSNMLAEWFIEGN-YNEHKIRRSA-N 2 1 341.456 -1.068 20 0 EAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1 ZINC000576611872 375111596 /nfs/dbraw/zinc/11/15/96/375111596.db2.gz GTNZQRZRNTZEIV-UHFFFAOYSA-N 2 1 328.461 -1.447 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576733035 375113956 /nfs/dbraw/zinc/11/39/56/375113956.db2.gz ZLGVSCGFRVDEMK-KBPBESRZSA-N 2 1 341.456 -1.685 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000576733037 375113057 /nfs/dbraw/zinc/11/30/57/375113057.db2.gz ZLGVSCGFRVDEMK-KGLIPLIRSA-N 2 1 341.456 -1.685 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576733039 375113861 /nfs/dbraw/zinc/11/38/61/375113861.db2.gz ZLGVSCGFRVDEMK-UONOGXRCSA-N 2 1 341.456 -1.685 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000576733040 375114345 /nfs/dbraw/zinc/11/43/45/375114345.db2.gz ZLGVSCGFRVDEMK-ZIAGYGMSSA-N 2 1 341.456 -1.685 20 0 EAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[NH+]3CCSCC3)CCN2C1=O ZINC000576769533 375114134 /nfs/dbraw/zinc/11/41/34/375114134.db2.gz VJRCKYTZLFRRPP-NEPJUHHUSA-N 2 1 327.454 -1.011 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCSCC3)CCN2C1=O ZINC000576769534 375113079 /nfs/dbraw/zinc/11/30/79/375113079.db2.gz VJRCKYTZLFRRPP-NWDGAFQWSA-N 2 1 327.454 -1.011 20 0 EAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCSCC3)CCN2C1=O ZINC000576769535 375112959 /nfs/dbraw/zinc/11/29/59/375112959.db2.gz VJRCKYTZLFRRPP-RYUDHWBXSA-N 2 1 327.454 -1.011 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[NH+]3CCSCC3)CCN2C1=O ZINC000576769536 375114515 /nfs/dbraw/zinc/11/45/15/375114515.db2.gz VJRCKYTZLFRRPP-VXGBXAGGSA-N 2 1 327.454 -1.011 20 0 EAADMP [NH3+]CC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000576821874 375114429 /nfs/dbraw/zinc/11/44/29/375114429.db2.gz CXISQVSHKLOUFQ-UHFFFAOYSA-N 2 1 330.454 -1.049 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576958775 375113688 /nfs/dbraw/zinc/11/36/88/375113688.db2.gz PGZAGUWRNLTFJD-NEPJUHHUSA-N 2 1 341.412 -2.549 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576958776 375114380 /nfs/dbraw/zinc/11/43/80/375114380.db2.gz PGZAGUWRNLTFJD-NWDGAFQWSA-N 2 1 341.412 -2.549 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576958777 375113885 /nfs/dbraw/zinc/11/38/85/375113885.db2.gz PGZAGUWRNLTFJD-RYUDHWBXSA-N 2 1 341.412 -2.549 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576958778 375113217 /nfs/dbraw/zinc/11/32/17/375113217.db2.gz PGZAGUWRNLTFJD-VXGBXAGGSA-N 2 1 341.412 -2.549 20 0 EAADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000576992690 375116290 /nfs/dbraw/zinc/11/62/90/375116290.db2.gz YVDLJFLDBXPMBZ-NEPJUHHUSA-N 2 1 327.429 -1.491 20 0 EAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000576992691 375115392 /nfs/dbraw/zinc/11/53/92/375115392.db2.gz YVDLJFLDBXPMBZ-NWDGAFQWSA-N 2 1 327.429 -1.491 20 0 EAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000576992692 375116116 /nfs/dbraw/zinc/11/61/16/375116116.db2.gz YVDLJFLDBXPMBZ-RYUDHWBXSA-N 2 1 327.429 -1.491 20 0 EAADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000576992693 375115674 /nfs/dbraw/zinc/11/56/74/375115674.db2.gz YVDLJFLDBXPMBZ-VXGBXAGGSA-N 2 1 327.429 -1.491 20 0 EAADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577232372 375117772 /nfs/dbraw/zinc/11/77/72/375117772.db2.gz BDSNINORMVMLRW-KBPBESRZSA-N 2 1 325.457 -1.146 20 0 EAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577232373 375118651 /nfs/dbraw/zinc/11/86/51/375118651.db2.gz BDSNINORMVMLRW-KGLIPLIRSA-N 2 1 325.457 -1.146 20 0 EAADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577727367 375120962 /nfs/dbraw/zinc/12/09/62/375120962.db2.gz GHJXEYRJEICKEK-GHMZBOCLSA-N 2 1 333.458 -1.259 20 0 EAADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577727368 375120022 /nfs/dbraw/zinc/12/00/22/375120022.db2.gz GHJXEYRJEICKEK-MNOVXSKESA-N 2 1 333.458 -1.259 20 0 EAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577727369 375120664 /nfs/dbraw/zinc/12/06/64/375120664.db2.gz GHJXEYRJEICKEK-QWRGUYRKSA-N 2 1 333.458 -1.259 20 0 EAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577727370 375120731 /nfs/dbraw/zinc/12/07/31/375120731.db2.gz GHJXEYRJEICKEK-WDEREUQCSA-N 2 1 333.458 -1.259 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000577755728 375119774 /nfs/dbraw/zinc/11/97/74/375119774.db2.gz CWVKIEDSKJIRHU-CYBMUJFWSA-N 2 1 349.439 -1.076 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000577755729 375120138 /nfs/dbraw/zinc/12/01/38/375120138.db2.gz CWVKIEDSKJIRHU-ZDUSSCGKSA-N 2 1 349.439 -1.076 20 0 EAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000577833253 375122185 /nfs/dbraw/zinc/12/21/85/375122185.db2.gz INGLAUKNLLTSHM-UHFFFAOYSA-N 2 1 327.429 -1.618 20 0 EAADMP O=C(COC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578191823 375128543 /nfs/dbraw/zinc/12/85/43/375128543.db2.gz JQDAENJOHMQCHZ-UHFFFAOYSA-N 2 1 346.453 -1.799 20 0 EAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000578981080 375132517 /nfs/dbraw/zinc/13/25/17/375132517.db2.gz IMIBTBBYBPSGPB-UHFFFAOYSA-N 2 1 337.424 -1.697 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]1 ZINC000579237417 375134161 /nfs/dbraw/zinc/13/41/61/375134161.db2.gz KKDNTSZWGPJWPW-RYUDHWBXSA-N 2 1 330.454 -1.180 20 0 EAADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000579344134 375134142 /nfs/dbraw/zinc/13/41/42/375134142.db2.gz UCZPPXRRUGQFFC-CABCVRRESA-N 2 1 328.457 -1.144 20 0 EAADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000579344138 375134124 /nfs/dbraw/zinc/13/41/24/375134124.db2.gz UCZPPXRRUGQFFC-GJZGRUSLSA-N 2 1 328.457 -1.144 20 0 EAADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000579344140 375134102 /nfs/dbraw/zinc/13/41/02/375134102.db2.gz UCZPPXRRUGQFFC-HUUCEWRRSA-N 2 1 328.457 -1.144 20 0 EAADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000579344141 375134222 /nfs/dbraw/zinc/13/42/22/375134222.db2.gz UCZPPXRRUGQFFC-LSDHHAIUSA-N 2 1 328.457 -1.144 20 0 EAADMP CC[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000579835733 375137520 /nfs/dbraw/zinc/13/75/20/375137520.db2.gz NIKUENSVFGJTJG-AWEZNQCLSA-N 2 1 330.454 -1.036 20 0 EAADMP CC[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000579835734 375137320 /nfs/dbraw/zinc/13/73/20/375137320.db2.gz NIKUENSVFGJTJG-CQSZACIVSA-N 2 1 330.454 -1.036 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000579942136 375137708 /nfs/dbraw/zinc/13/77/08/375137708.db2.gz BIHGWKLTGGZFJB-MCIONIFRSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000579942136 375137703 /nfs/dbraw/zinc/13/77/03/375137703.db2.gz BIHGWKLTGGZFJB-MCIONIFRSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000579942137 375138612 /nfs/dbraw/zinc/13/86/12/375138612.db2.gz BIHGWKLTGGZFJB-MELADBBJSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000579942137 375138604 /nfs/dbraw/zinc/13/86/04/375138604.db2.gz BIHGWKLTGGZFJB-MELADBBJSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000579958624 375137015 /nfs/dbraw/zinc/13/70/15/375137015.db2.gz LLKITFPMLLLPQU-CHWSQXEVSA-N 2 1 341.456 -1.149 20 0 EAADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000579958625 375137572 /nfs/dbraw/zinc/13/75/72/375137572.db2.gz LLKITFPMLLLPQU-OLZOCXBDSA-N 2 1 341.456 -1.149 20 0 EAADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000579958626 375138184 /nfs/dbraw/zinc/13/81/84/375138184.db2.gz LLKITFPMLLLPQU-QWHCGFSZSA-N 2 1 341.456 -1.149 20 0 EAADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000579958627 375140373 /nfs/dbraw/zinc/14/03/73/375140373.db2.gz LLKITFPMLLLPQU-STQMWFEESA-N 2 1 341.456 -1.149 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000580075730 374412327 /nfs/dbraw/zinc/41/23/27/374412327.db2.gz VLZKZLVGOQRRAN-AWEZNQCLSA-N 3 1 325.457 -1.063 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000580075730 374412320 /nfs/dbraw/zinc/41/23/20/374412320.db2.gz VLZKZLVGOQRRAN-AWEZNQCLSA-N 3 1 325.457 -1.063 20 0 EAADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000580075730 374412309 /nfs/dbraw/zinc/41/23/09/374412309.db2.gz VLZKZLVGOQRRAN-AWEZNQCLSA-N 2 1 325.457 -1.063 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000580075731 374412706 /nfs/dbraw/zinc/41/27/06/374412706.db2.gz VLZKZLVGOQRRAN-CQSZACIVSA-N 3 1 325.457 -1.063 20 0 EAADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000580075731 374412703 /nfs/dbraw/zinc/41/27/03/374412703.db2.gz VLZKZLVGOQRRAN-CQSZACIVSA-N 3 1 325.457 -1.063 20 0 EAADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000580075731 374412699 /nfs/dbraw/zinc/41/26/99/374412699.db2.gz VLZKZLVGOQRRAN-CQSZACIVSA-N 2 1 325.457 -1.063 20 0 EAADMP CC1(C)CN(CCNC(=O)NCC(=O)N2CCNCC2)CCO1 ZINC000580419857 374853942 /nfs/dbraw/zinc/85/39/42/374853942.db2.gz LPFBTTHJRCEKEK-UHFFFAOYSA-N 2 1 327.429 -1.172 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000580421288 374854902 /nfs/dbraw/zinc/85/49/02/374854902.db2.gz DJHMTGQYEPUIKD-HZSPNIEDSA-N 2 1 341.456 -1.999 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000580421289 374854878 /nfs/dbraw/zinc/85/48/78/374854878.db2.gz DJHMTGQYEPUIKD-MJBXVCDLSA-N 2 1 341.456 -1.999 20 0 EAADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000580904106 375139771 /nfs/dbraw/zinc/13/97/71/375139771.db2.gz CAPPDZHXNLSZKU-KBPBESRZSA-N 2 1 325.457 -1.147 20 0 EAADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000580904107 375139893 /nfs/dbraw/zinc/13/98/93/375139893.db2.gz CAPPDZHXNLSZKU-UONOGXRCSA-N 2 1 325.457 -1.147 20 0 EAADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000580951350 375142501 /nfs/dbraw/zinc/14/25/01/375142501.db2.gz NEGRNZCRRMFDQW-NEPJUHHUSA-N 2 1 326.397 -1.310 20 0 EAADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000580951351 375142249 /nfs/dbraw/zinc/14/22/49/375142249.db2.gz NEGRNZCRRMFDQW-NWDGAFQWSA-N 2 1 326.397 -1.310 20 0 EAADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000580951352 375142298 /nfs/dbraw/zinc/14/22/98/375142298.db2.gz NEGRNZCRRMFDQW-RYUDHWBXSA-N 2 1 326.397 -1.310 20 0 EAADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000580951353 375142844 /nfs/dbraw/zinc/14/28/44/375142844.db2.gz NEGRNZCRRMFDQW-VXGBXAGGSA-N 2 1 326.397 -1.310 20 0 EAADMP C[NH+]1CCN(c2ncc(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cn2)CC1 ZINC000581082700 375141981 /nfs/dbraw/zinc/14/19/81/375141981.db2.gz MPLPWIVVQNOTLJ-CABCVRRESA-N 2 1 345.451 -1.028 20 0 EAADMP C[NH+]1CCN(c2ncc(CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn2)CC1 ZINC000581082703 375142899 /nfs/dbraw/zinc/14/28/99/375142899.db2.gz MPLPWIVVQNOTLJ-GJZGRUSLSA-N 2 1 345.451 -1.028 20 0 EAADMP C[NH+]1CCN(c2ncc(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cn2)CC1 ZINC000581082705 375142871 /nfs/dbraw/zinc/14/28/71/375142871.db2.gz MPLPWIVVQNOTLJ-HUUCEWRRSA-N 2 1 345.451 -1.028 20 0 EAADMP C[NH+]1CCN(c2ncc(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn2)CC1 ZINC000581082707 375141372 /nfs/dbraw/zinc/14/13/72/375141372.db2.gz MPLPWIVVQNOTLJ-LSDHHAIUSA-N 2 1 345.451 -1.028 20 0 EAADMP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@H](O)C1 ZINC000581951636 375150260 /nfs/dbraw/zinc/15/02/60/375150260.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 2 1 346.516 -1.410 20 0 EAADMP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)CC)C[C@H](O)C1 ZINC000581951636 375150258 /nfs/dbraw/zinc/15/02/58/375150258.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 2 1 346.516 -1.410 20 0 EAADMP CC[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@H+](C)CC)C[C@@H](O)C1 ZINC000581951636 375150253 /nfs/dbraw/zinc/15/02/53/375150253.db2.gz IRYVBGCMCKYNCW-BJWYYQGGSA-N 2 1 346.516 -1.410 20 0 EAADMP CC[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@H+](C)CC)CC(O)C1 ZINC000581951637 375150345 /nfs/dbraw/zinc/15/03/45/375150345.db2.gz IRYVBGCMCKYNCW-HOTGVXAUSA-N 2 1 346.516 -1.410 20 0 EAADMP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@H+](C)CC)CC(O)C1 ZINC000581951638 375149910 /nfs/dbraw/zinc/14/99/10/375149910.db2.gz IRYVBGCMCKYNCW-HZPDHXFCSA-N 2 1 346.516 -1.410 20 0 EAADMP O=C(CC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000582420067 374801429 /nfs/dbraw/zinc/80/14/29/374801429.db2.gz YOWQVXIECHNOBE-UHFFFAOYSA-N 2 1 330.454 -1.178 20 0 EAADMP CC[NH2+]CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000583014003 374813664 /nfs/dbraw/zinc/81/36/64/374813664.db2.gz ANEOSLNQFUMLFZ-UHFFFAOYSA-N 2 1 333.458 -1.385 20 0 EAADMP C[N@@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000583134078 374812570 /nfs/dbraw/zinc/81/25/70/374812570.db2.gz UVDAJCKODCTRTA-UHFFFAOYSA-N 2 1 339.440 -1.475 20 0 EAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583155580 374812829 /nfs/dbraw/zinc/81/28/29/374812829.db2.gz ZIDNQCVEWNYTHH-QWHCGFSZSA-N 2 1 339.440 -1.477 20 0 EAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583155581 374814015 /nfs/dbraw/zinc/81/40/15/374814015.db2.gz ZIDNQCVEWNYTHH-STQMWFEESA-N 2 1 339.440 -1.477 20 0 EAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583705197 374807016 /nfs/dbraw/zinc/80/70/16/374807016.db2.gz LBBYFLQQACGRMT-ZDUSSCGKSA-N 2 1 325.457 -1.051 20 0 EAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583705197 374807008 /nfs/dbraw/zinc/80/70/08/374807008.db2.gz LBBYFLQQACGRMT-ZDUSSCGKSA-N 2 1 325.457 -1.051 20 0 EAADMP O=C([C@H]1CC12CC[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584469124 374821771 /nfs/dbraw/zinc/82/17/71/374821771.db2.gz LJULKMWQAGBUJB-CYBMUJFWSA-N 2 1 342.465 -1.178 20 0 EAADMP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584469125 374820627 /nfs/dbraw/zinc/82/06/27/374820627.db2.gz LJULKMWQAGBUJB-ZDUSSCGKSA-N 2 1 342.465 -1.178 20 0 EAADMP O=C(CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000584769896 374825838 /nfs/dbraw/zinc/82/58/38/374825838.db2.gz HUFNMAUGROZVQM-UHFFFAOYSA-N 2 1 337.424 -1.911 20 0 EAADMP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592342984 374450132 /nfs/dbraw/zinc/45/01/32/374450132.db2.gz UELATDQXXXNQHJ-LLVKDONJSA-N 2 1 348.425 -2.287 20 0 EAADMP COC(=O)CC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592342992 374450306 /nfs/dbraw/zinc/45/03/06/374450306.db2.gz UELATDQXXXNQHJ-NSHDSACASA-N 2 1 348.425 -2.287 20 0 EAADMP COCC(=O)NC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592825083 374453860 /nfs/dbraw/zinc/45/38/60/374453860.db2.gz NKCZJTUDBHYFNF-CYBMUJFWSA-N 2 1 340.424 -1.098 20 0 EAADMP COCC(=O)NC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000592825084 374454131 /nfs/dbraw/zinc/45/41/31/374454131.db2.gz NKCZJTUDBHYFNF-ZDUSSCGKSA-N 2 1 340.424 -1.098 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000595260776 374472887 /nfs/dbraw/zinc/47/28/87/374472887.db2.gz BLTFKWRQUGAUOH-CHWSQXEVSA-N 2 1 325.413 -1.338 20 0 EAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000595260780 374472414 /nfs/dbraw/zinc/47/24/14/374472414.db2.gz BLTFKWRQUGAUOH-OLZOCXBDSA-N 2 1 325.413 -1.338 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000595260782 374472872 /nfs/dbraw/zinc/47/28/72/374472872.db2.gz BLTFKWRQUGAUOH-QWHCGFSZSA-N 2 1 325.413 -1.338 20 0 EAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCC[NH+]3CCOCC3)CCN2C1=O ZINC000595260784 374472965 /nfs/dbraw/zinc/47/29/65/374472965.db2.gz BLTFKWRQUGAUOH-STQMWFEESA-N 2 1 325.413 -1.338 20 0 EAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595277307 374473704 /nfs/dbraw/zinc/47/37/04/374473704.db2.gz LGVXNCMWNVUANA-KBPBESRZSA-N 2 1 349.435 -1.475 20 0 EAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595277311 374474997 /nfs/dbraw/zinc/47/49/97/374474997.db2.gz LGVXNCMWNVUANA-KGLIPLIRSA-N 2 1 349.435 -1.475 20 0 EAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595277312 374475396 /nfs/dbraw/zinc/47/53/96/374475396.db2.gz LGVXNCMWNVUANA-UONOGXRCSA-N 2 1 349.435 -1.475 20 0 EAADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595277313 374475294 /nfs/dbraw/zinc/47/52/94/374475294.db2.gz LGVXNCMWNVUANA-ZIAGYGMSSA-N 2 1 349.435 -1.475 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595278651 374475322 /nfs/dbraw/zinc/47/53/22/374475322.db2.gz RCBUXASXIBIFCE-AVGNSLFASA-N 2 1 337.424 -1.643 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595278652 374474423 /nfs/dbraw/zinc/47/44/23/374474423.db2.gz RCBUXASXIBIFCE-RWMBFGLXSA-N 2 1 337.424 -1.643 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595278653 374475152 /nfs/dbraw/zinc/47/51/52/374475152.db2.gz RCBUXASXIBIFCE-XQQFMLRXSA-N 2 1 337.424 -1.643 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595278654 374475094 /nfs/dbraw/zinc/47/50/94/374475094.db2.gz RCBUXASXIBIFCE-YNEHKIRRSA-N 2 1 337.424 -1.643 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595281350 374474373 /nfs/dbraw/zinc/47/43/73/374474373.db2.gz KBKYNADOSWJNHJ-BFHYXJOUSA-N 2 1 349.435 -1.643 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595281870 374474741 /nfs/dbraw/zinc/47/47/41/374474741.db2.gz KBKYNADOSWJNHJ-HZSPNIEDSA-N 2 1 349.435 -1.643 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595281871 374475223 /nfs/dbraw/zinc/47/52/23/374475223.db2.gz KBKYNADOSWJNHJ-MELADBBJSA-N 2 1 349.435 -1.643 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595281872 374475034 /nfs/dbraw/zinc/47/50/34/374475034.db2.gz KBKYNADOSWJNHJ-MGPQQGTHSA-N 2 1 349.435 -1.643 20 0 EAADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894896 374481513 /nfs/dbraw/zinc/48/15/13/374481513.db2.gz XYQKRNKZRKIZAY-CHWSQXEVSA-N 2 1 340.424 -1.063 20 0 EAADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894897 374481879 /nfs/dbraw/zinc/48/18/79/374481879.db2.gz XYQKRNKZRKIZAY-OLZOCXBDSA-N 2 1 340.424 -1.063 20 0 EAADMP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894898 374480676 /nfs/dbraw/zinc/48/06/76/374480676.db2.gz XYQKRNKZRKIZAY-QWHCGFSZSA-N 2 1 340.424 -1.063 20 0 EAADMP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000595894899 374481701 /nfs/dbraw/zinc/48/17/01/374481701.db2.gz XYQKRNKZRKIZAY-STQMWFEESA-N 2 1 340.424 -1.063 20 0 EAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595980859 374485340 /nfs/dbraw/zinc/48/53/40/374485340.db2.gz LVMOKQVBTWQBAJ-CHWSQXEVSA-N 2 1 337.424 -1.691 20 0 EAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595980860 374485499 /nfs/dbraw/zinc/48/54/99/374485499.db2.gz LVMOKQVBTWQBAJ-OLZOCXBDSA-N 2 1 337.424 -1.691 20 0 EAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595980861 374485067 /nfs/dbraw/zinc/48/50/67/374485067.db2.gz LVMOKQVBTWQBAJ-QWHCGFSZSA-N 2 1 337.424 -1.691 20 0 EAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595980862 374485583 /nfs/dbraw/zinc/48/55/83/374485583.db2.gz LVMOKQVBTWQBAJ-STQMWFEESA-N 2 1 337.424 -1.691 20 0 EAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595982795 374485366 /nfs/dbraw/zinc/48/53/66/374485366.db2.gz XSXRQXCTDNETNQ-KBPBESRZSA-N 2 1 349.435 -1.689 20 0 EAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595982798 374485104 /nfs/dbraw/zinc/48/51/04/374485104.db2.gz XSXRQXCTDNETNQ-KGLIPLIRSA-N 2 1 349.435 -1.689 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595982800 374484784 /nfs/dbraw/zinc/48/47/84/374484784.db2.gz XSXRQXCTDNETNQ-UONOGXRCSA-N 2 1 349.435 -1.689 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000595982802 374485173 /nfs/dbraw/zinc/48/51/73/374485173.db2.gz XSXRQXCTDNETNQ-ZIAGYGMSSA-N 2 1 349.435 -1.689 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)CCN2C1=O ZINC000595983130 374486665 /nfs/dbraw/zinc/48/66/65/374486665.db2.gz YRQHVWCFQGXGQG-BFHYXJOUSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CCN2C1=O ZINC000595983130 374486662 /nfs/dbraw/zinc/48/66/62/374486662.db2.gz YRQHVWCFQGXGQG-BFHYXJOUSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)CCN2C1=O ZINC000595983131 374487553 /nfs/dbraw/zinc/48/75/53/374487553.db2.gz YRQHVWCFQGXGQG-HZSPNIEDSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)CCN2C1=O ZINC000595983131 374487547 /nfs/dbraw/zinc/48/75/47/374487547.db2.gz YRQHVWCFQGXGQG-HZSPNIEDSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)CCN2C1=O ZINC000595983132 374487458 /nfs/dbraw/zinc/48/74/58/374487458.db2.gz YRQHVWCFQGXGQG-MELADBBJSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CCN2C1=O ZINC000595983132 374487453 /nfs/dbraw/zinc/48/74/53/374487453.db2.gz YRQHVWCFQGXGQG-MELADBBJSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)CCN2C1=O ZINC000595983133 374486886 /nfs/dbraw/zinc/48/68/86/374486886.db2.gz YRQHVWCFQGXGQG-MGPQQGTHSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)CCN2C1=O ZINC000595983133 374486885 /nfs/dbraw/zinc/48/68/85/374486885.db2.gz YRQHVWCFQGXGQG-MGPQQGTHSA-N 2 1 349.435 -1.547 20 0 EAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595983317 374485211 /nfs/dbraw/zinc/48/52/11/374485211.db2.gz DKACSQHSLPQJTK-CHWSQXEVSA-N 2 1 337.424 -1.689 20 0 EAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595983334 374486744 /nfs/dbraw/zinc/48/67/44/374486744.db2.gz DKACSQHSLPQJTK-OLZOCXBDSA-N 2 1 337.424 -1.689 20 0 EAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595983391 374487507 /nfs/dbraw/zinc/48/75/07/374487507.db2.gz DKACSQHSLPQJTK-QWHCGFSZSA-N 2 1 337.424 -1.689 20 0 EAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595983419 374486874 /nfs/dbraw/zinc/48/68/74/374486874.db2.gz DKACSQHSLPQJTK-STQMWFEESA-N 2 1 337.424 -1.689 20 0 EAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595983728 374487201 /nfs/dbraw/zinc/48/72/01/374487201.db2.gz RATOAUJGYWQIGO-AVGNSLFASA-N 2 1 337.424 -1.691 20 0 EAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595983730 374486715 /nfs/dbraw/zinc/48/67/15/374486715.db2.gz RATOAUJGYWQIGO-RWMBFGLXSA-N 2 1 337.424 -1.691 20 0 EAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595983732 374486548 /nfs/dbraw/zinc/48/65/48/374486548.db2.gz RATOAUJGYWQIGO-XQQFMLRXSA-N 2 1 337.424 -1.691 20 0 EAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595983734 374487388 /nfs/dbraw/zinc/48/73/88/374487388.db2.gz RATOAUJGYWQIGO-YNEHKIRRSA-N 2 1 337.424 -1.691 20 0 EAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595986221 374486983 /nfs/dbraw/zinc/48/69/83/374486983.db2.gz GAKHMHRTHHVUMH-AVGNSLFASA-N 2 1 337.424 -1.833 20 0 EAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595986222 374487679 /nfs/dbraw/zinc/48/76/79/374487679.db2.gz GAKHMHRTHHVUMH-RWMBFGLXSA-N 2 1 337.424 -1.833 20 0 EAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595986223 374486693 /nfs/dbraw/zinc/48/66/93/374486693.db2.gz GAKHMHRTHHVUMH-XQQFMLRXSA-N 2 1 337.424 -1.833 20 0 EAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595986224 374486579 /nfs/dbraw/zinc/48/65/79/374486579.db2.gz GAKHMHRTHHVUMH-YNEHKIRRSA-N 2 1 337.424 -1.833 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595986888 374487025 /nfs/dbraw/zinc/48/70/25/374487025.db2.gz IPWKLRWDJZBQOO-FRRDWIJNSA-N 2 1 335.408 -1.937 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595986889 374487255 /nfs/dbraw/zinc/48/72/55/374487255.db2.gz IPWKLRWDJZBQOO-JHJVBQTASA-N 2 1 335.408 -1.937 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595986890 374487145 /nfs/dbraw/zinc/48/71/45/374487145.db2.gz IPWKLRWDJZBQOO-RWMBFGLXSA-N 2 1 335.408 -1.937 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595986891 374486826 /nfs/dbraw/zinc/48/68/26/374486826.db2.gz IPWKLRWDJZBQOO-YNEHKIRRSA-N 2 1 335.408 -1.937 20 0 EAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)[C@@H]2C1 ZINC000595990377 374489225 /nfs/dbraw/zinc/48/92/25/374489225.db2.gz QHRJCANYXJAOGG-AAVRWANBSA-N 2 1 349.435 -1.691 20 0 EAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)[C@H]2C1 ZINC000595990378 374490140 /nfs/dbraw/zinc/49/01/40/374490140.db2.gz QHRJCANYXJAOGG-RQJABVFESA-N 2 1 349.435 -1.691 20 0 EAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)[C@H]2C1 ZINC000595990379 374489682 /nfs/dbraw/zinc/48/96/82/374489682.db2.gz QHRJCANYXJAOGG-SYQHCUMBSA-N 2 1 349.435 -1.691 20 0 EAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)[C@@H]2C1 ZINC000595990380 374489863 /nfs/dbraw/zinc/48/98/63/374489863.db2.gz QHRJCANYXJAOGG-XJFOESAGSA-N 2 1 349.435 -1.691 20 0 EAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595991505 374489491 /nfs/dbraw/zinc/48/94/91/374489491.db2.gz NHQHTEGZLIKCLV-AAVRWANBSA-N 2 1 349.435 -1.548 20 0 EAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595991506 374489892 /nfs/dbraw/zinc/48/98/92/374489892.db2.gz NHQHTEGZLIKCLV-MQYQWHSLSA-N 2 1 349.435 -1.548 20 0 EAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595991507 374489041 /nfs/dbraw/zinc/48/90/41/374489041.db2.gz NHQHTEGZLIKCLV-SYQHCUMBSA-N 2 1 349.435 -1.548 20 0 EAADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595991509 374489203 /nfs/dbraw/zinc/48/92/03/374489203.db2.gz NHQHTEGZLIKCLV-YIYPIFLZSA-N 2 1 349.435 -1.548 20 0 EAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595994610 374489088 /nfs/dbraw/zinc/48/90/88/374489088.db2.gz ICVSFPIJMZCAKI-CHWSQXEVSA-N 2 1 337.424 -1.691 20 0 EAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595994611 374488497 /nfs/dbraw/zinc/48/84/97/374488497.db2.gz ICVSFPIJMZCAKI-OLZOCXBDSA-N 2 1 337.424 -1.691 20 0 EAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595994612 374490108 /nfs/dbraw/zinc/49/01/08/374490108.db2.gz ICVSFPIJMZCAKI-QWHCGFSZSA-N 2 1 337.424 -1.691 20 0 EAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595994614 374488640 /nfs/dbraw/zinc/48/86/40/374488640.db2.gz ICVSFPIJMZCAKI-STQMWFEESA-N 2 1 337.424 -1.691 20 0 EAADMP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000595994682 374488848 /nfs/dbraw/zinc/48/88/48/374488848.db2.gz URAVQFXBJXXJOU-BFHYXJOUSA-N 2 1 349.435 -1.548 20 0 EAADMP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595994684 374489286 /nfs/dbraw/zinc/48/92/86/374489286.db2.gz URAVQFXBJXXJOU-HZSPNIEDSA-N 2 1 349.435 -1.548 20 0 EAADMP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000595994687 374489255 /nfs/dbraw/zinc/48/92/55/374489255.db2.gz URAVQFXBJXXJOU-MELADBBJSA-N 2 1 349.435 -1.548 20 0 EAADMP CN(C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000595994689 374489456 /nfs/dbraw/zinc/48/94/56/374489456.db2.gz URAVQFXBJXXJOU-MGPQQGTHSA-N 2 1 349.435 -1.548 20 0 EAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000595994711 374489435 /nfs/dbraw/zinc/48/94/35/374489435.db2.gz UXPGVEDSZOPOKB-KBPBESRZSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000595994714 374489120 /nfs/dbraw/zinc/48/91/20/374489120.db2.gz UXPGVEDSZOPOKB-KGLIPLIRSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000595994715 374489105 /nfs/dbraw/zinc/48/91/05/374489105.db2.gz UXPGVEDSZOPOKB-UONOGXRCSA-N 2 1 349.435 -1.547 20 0 EAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000595994716 374489249 /nfs/dbraw/zinc/48/92/49/374489249.db2.gz UXPGVEDSZOPOKB-ZIAGYGMSSA-N 2 1 349.435 -1.547 20 0 EAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)C1 ZINC000595996960 374492030 /nfs/dbraw/zinc/49/20/30/374492030.db2.gz IZLIHNZPKRUBAO-AHIWAGSCSA-N 2 1 349.435 -1.689 20 0 EAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)C1 ZINC000595996962 374490937 /nfs/dbraw/zinc/49/09/37/374490937.db2.gz IZLIHNZPKRUBAO-DCGLDWPTSA-N 2 1 349.435 -1.689 20 0 EAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)C1 ZINC000595996964 374492192 /nfs/dbraw/zinc/49/21/92/374492192.db2.gz IZLIHNZPKRUBAO-IGCXYCKISA-N 2 1 349.435 -1.689 20 0 EAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)C1 ZINC000595996967 374492101 /nfs/dbraw/zinc/49/21/01/374492101.db2.gz IZLIHNZPKRUBAO-XNJGSVPQSA-N 2 1 349.435 -1.689 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596000698 374483171 /nfs/dbraw/zinc/48/31/71/374483171.db2.gz NNMUJTMZZYOBPM-LPWJVIDDSA-N 2 1 335.408 -2.081 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C[C@@H]21 ZINC000596000699 374483294 /nfs/dbraw/zinc/48/32/94/374483294.db2.gz NNMUJTMZZYOBPM-NDBYEHHHSA-N 2 1 335.408 -2.081 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596000701 374483511 /nfs/dbraw/zinc/48/35/11/374483511.db2.gz NNMUJTMZZYOBPM-VOAKCMCISA-N 2 1 335.408 -2.081 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C[C@@H]21 ZINC000596000702 374483215 /nfs/dbraw/zinc/48/32/15/374483215.db2.gz NNMUJTMZZYOBPM-XQHKEYJVSA-N 2 1 335.408 -2.081 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@@H+]1C ZINC000596006709 374483127 /nfs/dbraw/zinc/48/31/27/374483127.db2.gz YZPBAXGZXWUVIB-QNWHQSFQSA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@H+]1C ZINC000596006709 374483121 /nfs/dbraw/zinc/48/31/21/374483121.db2.gz YZPBAXGZXWUVIB-QNWHQSFQSA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@@H+]1C ZINC000596006712 374483334 /nfs/dbraw/zinc/48/33/34/374483334.db2.gz YZPBAXGZXWUVIB-RNJOBUHISA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[C@H](C)[N@H+]1C ZINC000596006712 374483331 /nfs/dbraw/zinc/48/33/31/374483331.db2.gz YZPBAXGZXWUVIB-RNJOBUHISA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@@H+]1C ZINC000596006713 374483778 /nfs/dbraw/zinc/48/37/78/374483778.db2.gz YZPBAXGZXWUVIB-XQHKEYJVSA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@H+]1C ZINC000596006713 374483773 /nfs/dbraw/zinc/48/37/73/374483773.db2.gz YZPBAXGZXWUVIB-XQHKEYJVSA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@@H+]1C ZINC000596006714 374483491 /nfs/dbraw/zinc/48/34/91/374483491.db2.gz YZPBAXGZXWUVIB-YVECIDJPSA-N 2 1 337.424 -1.692 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)[N@H+]1C ZINC000596006714 374483488 /nfs/dbraw/zinc/48/34/88/374483488.db2.gz YZPBAXGZXWUVIB-YVECIDJPSA-N 2 1 337.424 -1.692 20 0 EAADMP COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883719 374342740 /nfs/dbraw/zinc/34/27/40/374342740.db2.gz AFSGTPRADQSQNY-ABAIWWIYSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883719 374342736 /nfs/dbraw/zinc/34/27/36/374342736.db2.gz AFSGTPRADQSQNY-ABAIWWIYSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@@]1(OC)CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883720 374343516 /nfs/dbraw/zinc/34/35/16/374343516.db2.gz AFSGTPRADQSQNY-IAQYHMDHSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883720 374343510 /nfs/dbraw/zinc/34/35/10/374343510.db2.gz AFSGTPRADQSQNY-IAQYHMDHSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@]1(OC)CC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883721 374343556 /nfs/dbraw/zinc/34/35/56/374343556.db2.gz AFSGTPRADQSQNY-NHYWBVRUSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883721 374343543 /nfs/dbraw/zinc/34/35/43/374343543.db2.gz AFSGTPRADQSQNY-NHYWBVRUSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883722 374342892 /nfs/dbraw/zinc/34/28/92/374342892.db2.gz AFSGTPRADQSQNY-XHDPSFHLSA-N 2 1 327.381 -1.061 20 0 EAADMP COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000600883722 374342883 /nfs/dbraw/zinc/34/28/83/374342883.db2.gz AFSGTPRADQSQNY-XHDPSFHLSA-N 2 1 327.381 -1.061 20 0 EAADMP C[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000600987139 374381986 /nfs/dbraw/zinc/38/19/86/374381986.db2.gz NHHVBJZIYJPVKV-AWEZNQCLSA-N 2 1 325.457 -1.063 20 0 EAADMP C[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000600987139 374381976 /nfs/dbraw/zinc/38/19/76/374381976.db2.gz NHHVBJZIYJPVKV-AWEZNQCLSA-N 2 1 325.457 -1.063 20 0 EAADMP CN1CCN(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000600987139 374381967 /nfs/dbraw/zinc/38/19/67/374381967.db2.gz NHHVBJZIYJPVKV-AWEZNQCLSA-N 2 1 325.457 -1.063 20 0 EAADMP C[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000600987140 374382217 /nfs/dbraw/zinc/38/22/17/374382217.db2.gz NHHVBJZIYJPVKV-CQSZACIVSA-N 2 1 325.457 -1.063 20 0 EAADMP C[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000600987140 374382209 /nfs/dbraw/zinc/38/22/09/374382209.db2.gz NHHVBJZIYJPVKV-CQSZACIVSA-N 2 1 325.457 -1.063 20 0 EAADMP CN1CCN(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000600987140 374382201 /nfs/dbraw/zinc/38/22/01/374382201.db2.gz NHHVBJZIYJPVKV-CQSZACIVSA-N 2 1 325.457 -1.063 20 0 EAADMP COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000601343114 374424878 /nfs/dbraw/zinc/42/48/78/374424878.db2.gz JEOZJSUSXCYHGL-GFCCVEGCSA-N 2 1 334.442 -1.248 20 0 EAADMP COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000601343115 374424162 /nfs/dbraw/zinc/42/41/62/374424162.db2.gz JEOZJSUSXCYHGL-LBPRGKRZSA-N 2 1 334.442 -1.248 20 0 EAADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC[N@@H+](C)C1 ZINC000601440614 374430000 /nfs/dbraw/zinc/43/00/00/374430000.db2.gz YPWWXIOTSJOFNG-CHWSQXEVSA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000601440614 374429993 /nfs/dbraw/zinc/42/99/93/374429993.db2.gz YPWWXIOTSJOFNG-CHWSQXEVSA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC[N@@H+](C)C1 ZINC000601440615 374429817 /nfs/dbraw/zinc/42/98/17/374429817.db2.gz YPWWXIOTSJOFNG-OLZOCXBDSA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000601440615 374429808 /nfs/dbraw/zinc/42/98/08/374429808.db2.gz YPWWXIOTSJOFNG-OLZOCXBDSA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC[N@@H+](C)C1 ZINC000601440616 374428835 /nfs/dbraw/zinc/42/88/35/374428835.db2.gz YPWWXIOTSJOFNG-QWHCGFSZSA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000601440616 374428828 /nfs/dbraw/zinc/42/88/28/374428828.db2.gz YPWWXIOTSJOFNG-QWHCGFSZSA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC[N@@H+](C)C1 ZINC000601440617 374429615 /nfs/dbraw/zinc/42/96/15/374429615.db2.gz YPWWXIOTSJOFNG-STQMWFEESA-N 2 1 349.453 -1.317 20 0 EAADMP COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000601440617 374429610 /nfs/dbraw/zinc/42/96/10/374429610.db2.gz YPWWXIOTSJOFNG-STQMWFEESA-N 2 1 349.453 -1.317 20 0 EAADMP COCCOCC[N@@H+](C)CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602528769 374534973 /nfs/dbraw/zinc/53/49/73/374534973.db2.gz UIIUMFZXHCGFDD-KBPBESRZSA-N 2 1 342.440 -1.258 20 0 EAADMP COCCOCC[N@@H+](C)CCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602529775 374533993 /nfs/dbraw/zinc/53/39/93/374533993.db2.gz UIIUMFZXHCGFDD-KGLIPLIRSA-N 2 1 342.440 -1.258 20 0 EAADMP COCCOCC[N@@H+](C)CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602529776 374534053 /nfs/dbraw/zinc/53/40/53/374534053.db2.gz UIIUMFZXHCGFDD-UONOGXRCSA-N 2 1 342.440 -1.258 20 0 EAADMP COCCOCC[N@@H+](C)CCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602529777 374535012 /nfs/dbraw/zinc/53/50/12/374535012.db2.gz UIIUMFZXHCGFDD-ZIAGYGMSSA-N 2 1 342.440 -1.258 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000603430404 374539464 /nfs/dbraw/zinc/53/94/64/374539464.db2.gz HQWMRZFJDPRVLL-NEPJUHHUSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000603430404 374539452 /nfs/dbraw/zinc/53/94/52/374539452.db2.gz HQWMRZFJDPRVLL-NEPJUHHUSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000603430412 374538465 /nfs/dbraw/zinc/53/84/65/374538465.db2.gz HQWMRZFJDPRVLL-NWDGAFQWSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000603430412 374538462 /nfs/dbraw/zinc/53/84/62/374538462.db2.gz HQWMRZFJDPRVLL-NWDGAFQWSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000603430414 374538548 /nfs/dbraw/zinc/53/85/48/374538548.db2.gz HQWMRZFJDPRVLL-RYUDHWBXSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000603430414 374538542 /nfs/dbraw/zinc/53/85/42/374538542.db2.gz HQWMRZFJDPRVLL-RYUDHWBXSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000603430417 374538497 /nfs/dbraw/zinc/53/84/97/374538497.db2.gz HQWMRZFJDPRVLL-VXGBXAGGSA-N 2 1 337.424 -1.691 20 0 EAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000603430417 374538492 /nfs/dbraw/zinc/53/84/92/374538492.db2.gz HQWMRZFJDPRVLL-VXGBXAGGSA-N 2 1 337.424 -1.691 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC000617502173 374701424 /nfs/dbraw/zinc/70/14/24/374701424.db2.gz FXTCOQAMEPGUER-NSHDSACASA-N 2 1 325.417 -1.235 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC000617502173 374701416 /nfs/dbraw/zinc/70/14/16/374701416.db2.gz FXTCOQAMEPGUER-NSHDSACASA-N 2 1 325.417 -1.235 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000617504318 374700391 /nfs/dbraw/zinc/70/03/91/374700391.db2.gz PRNZPLMDYOEECE-ZDUSSCGKSA-N 2 1 339.440 -1.065 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000617504318 374700385 /nfs/dbraw/zinc/70/03/85/374700385.db2.gz PRNZPLMDYOEECE-ZDUSSCGKSA-N 2 1 339.440 -1.065 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000617505445 374700038 /nfs/dbraw/zinc/70/00/38/374700038.db2.gz COIXXHPKOMUVLD-NSHDSACASA-N 2 1 341.412 -1.205 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000617505445 374700028 /nfs/dbraw/zinc/70/00/28/374700028.db2.gz COIXXHPKOMUVLD-NSHDSACASA-N 2 1 341.412 -1.205 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn(CC(N)=O)nn1 ZINC000617505808 374700142 /nfs/dbraw/zinc/70/01/42/374700142.db2.gz QUJBWHBAMGRVNH-NSHDSACASA-N 2 1 325.417 -1.235 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn(CC(N)=O)nn1 ZINC000617505808 374700135 /nfs/dbraw/zinc/70/01/35/374700135.db2.gz QUJBWHBAMGRVNH-NSHDSACASA-N 2 1 325.417 -1.235 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000617507598 374700918 /nfs/dbraw/zinc/70/09/18/374700918.db2.gz BQLZXJUWQZGWTQ-ZGKBOVNRSA-N 2 1 329.441 -1.213 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000617507598 374700911 /nfs/dbraw/zinc/70/09/11/374700911.db2.gz BQLZXJUWQZGWTQ-ZGKBOVNRSA-N 2 1 329.441 -1.213 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)N(C)C ZINC000617507990 374700459 /nfs/dbraw/zinc/70/04/59/374700459.db2.gz QXXFBTBEIRPSCY-LBPRGKRZSA-N 2 1 337.490 -1.229 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)N(C)C ZINC000617507990 374700451 /nfs/dbraw/zinc/70/04/51/374700451.db2.gz QXXFBTBEIRPSCY-LBPRGKRZSA-N 2 1 337.490 -1.229 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000618306913 375173269 /nfs/dbraw/zinc/17/32/69/375173269.db2.gz NYCSFSXVXBUKQK-AWEZNQCLSA-N 2 1 325.457 -1.145 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000618306914 374381603 /nfs/dbraw/zinc/38/16/03/374381603.db2.gz NYCSFSXVXBUKQK-CQSZACIVSA-N 2 1 325.457 -1.145 20 0 EAADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1nc(N)nc(N)[nH+]1 ZINC000624065796 375199406 /nfs/dbraw/zinc/19/94/06/375199406.db2.gz QUNIRUQBDXAMND-LBPRGKRZSA-N 2 1 344.423 -1.180 20 0 EAADMP O[C@@H]1CC[NH+](CCNc2nccnc2NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000624683895 374250042 /nfs/dbraw/zinc/25/00/42/374250042.db2.gz WOBLISJGVLMNPZ-ZIAGYGMSSA-N 2 1 336.440 -1.723 20 0 EAADMP O[C@H]1CC[NH+](CCNc2nccnc2NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000624775462 374249741 /nfs/dbraw/zinc/24/97/41/374249741.db2.gz WOBLISJGVLMNPZ-KBPBESRZSA-N 2 1 336.440 -1.723 20 0 EAADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(NS(N)(=O)=O)CC2)CC1 ZINC000626035239 374353949 /nfs/dbraw/zinc/35/39/49/374353949.db2.gz HYKGJFZOZZPACT-UHFFFAOYSA-N 2 1 333.458 -1.592 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000626933147 374889909 /nfs/dbraw/zinc/88/99/09/374889909.db2.gz HCBCCRVWWCTNME-UHFFFAOYSA-N 2 1 327.429 -1.042 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626934399 374891016 /nfs/dbraw/zinc/89/10/16/374891016.db2.gz YNFVWDNEOBHARM-UHFFFAOYSA-N 2 1 327.429 -1.042 20 0 EAADMP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626979636 374979116 /nfs/dbraw/zinc/97/91/16/374979116.db2.gz GEUQEAPZLIVHMA-HNNXBMFYSA-N 2 1 343.472 -1.072 20 0 EAADMP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626979637 374979032 /nfs/dbraw/zinc/97/90/32/374979032.db2.gz GEUQEAPZLIVHMA-OAHLLOKOSA-N 2 1 343.472 -1.072 20 0 EAADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626981073 374979046 /nfs/dbraw/zinc/97/90/46/374979046.db2.gz YIDGJRZZODRBSB-CABCVRRESA-N 2 1 341.456 -1.320 20 0 EAADMP O=C(NC[C@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626981076 374977981 /nfs/dbraw/zinc/97/79/81/374977981.db2.gz YIDGJRZZODRBSB-GJZGRUSLSA-N 2 1 341.456 -1.320 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626981078 374979337 /nfs/dbraw/zinc/97/93/37/374979337.db2.gz YIDGJRZZODRBSB-HUUCEWRRSA-N 2 1 341.456 -1.320 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000626981084 374978057 /nfs/dbraw/zinc/97/80/57/374978057.db2.gz YIDGJRZZODRBSB-LSDHHAIUSA-N 2 1 341.456 -1.320 20 0 EAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000627158631 374987383 /nfs/dbraw/zinc/98/73/83/374987383.db2.gz ZZBSCMKKINDHPO-QWHCGFSZSA-N 2 1 345.469 -1.244 20 0 EAADMP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000627171051 374987034 /nfs/dbraw/zinc/98/70/34/374987034.db2.gz PEAIZEZKGCDSPK-CYBMUJFWSA-N 2 1 327.429 -1.172 20 0 EAADMP C[NH2+]CCOCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000627171052 374987048 /nfs/dbraw/zinc/98/70/48/374987048.db2.gz PEAIZEZKGCDSPK-ZDUSSCGKSA-N 2 1 327.429 -1.172 20 0 EAADMP C[NH2+]CCOCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000627171386 374985753 /nfs/dbraw/zinc/98/57/53/374985753.db2.gz UOAMPMJWRAICPY-UHFFFAOYSA-N 2 1 349.457 -2.149 20 0 EAADMP C[C@@H]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627210940 374989543 /nfs/dbraw/zinc/98/95/43/374989543.db2.gz YDJRSCSTZWXWMB-NEPJUHHUSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@H]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627210941 374989315 /nfs/dbraw/zinc/98/93/15/374989315.db2.gz YDJRSCSTZWXWMB-NWDGAFQWSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@H]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627210942 374989215 /nfs/dbraw/zinc/98/92/15/374989215.db2.gz YDJRSCSTZWXWMB-RYUDHWBXSA-N 2 1 345.469 -1.244 20 0 EAADMP C[C@@H]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627210943 374989436 /nfs/dbraw/zinc/98/94/36/374989436.db2.gz YDJRSCSTZWXWMB-VXGBXAGGSA-N 2 1 345.469 -1.244 20 0 EAADMP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000627218870 374991372 /nfs/dbraw/zinc/99/13/72/374991372.db2.gz JUIMXXSLHBEDLG-CYBMUJFWSA-N 2 1 327.429 -1.042 20 0 EAADMP [NH3+]CCCOCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000627218871 374990642 /nfs/dbraw/zinc/99/06/42/374990642.db2.gz JUIMXXSLHBEDLG-ZDUSSCGKSA-N 2 1 327.429 -1.042 20 0 EAADMP [NH3+]CCCOCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000627219059 374990301 /nfs/dbraw/zinc/99/03/01/374990301.db2.gz NKYBDZDVDTZHCU-UHFFFAOYSA-N 2 1 349.457 -2.019 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000627245094 375003846 /nfs/dbraw/zinc/00/38/46/375003846.db2.gz LCGLHBSURWUWMB-CMPLNLGQSA-N 2 1 331.442 -1.634 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000627294788 375172383 /nfs/dbraw/zinc/17/23/83/375172383.db2.gz KNPNUDDYSWDFIW-UHFFFAOYSA-N 2 1 340.428 -1.203 20 0 EAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCO1 ZINC000627296427 375172556 /nfs/dbraw/zinc/17/25/56/375172556.db2.gz GZVJKXYUWOYYOP-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCO1 ZINC000627296428 375172474 /nfs/dbraw/zinc/17/24/74/375172474.db2.gz GZVJKXYUWOYYOP-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCO1 ZINC000627296429 375173154 /nfs/dbraw/zinc/17/31/54/375173154.db2.gz GZVJKXYUWOYYOP-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCO1 ZINC000627296430 375172718 /nfs/dbraw/zinc/17/27/18/375172718.db2.gz GZVJKXYUWOYYOP-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627300467 375177732 /nfs/dbraw/zinc/17/77/32/375177732.db2.gz BFZUEAOICQCLHF-KBPBESRZSA-N 2 1 342.440 -1.436 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627300468 375178061 /nfs/dbraw/zinc/17/80/61/375178061.db2.gz BFZUEAOICQCLHF-KGLIPLIRSA-N 2 1 342.440 -1.436 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627300469 375177202 /nfs/dbraw/zinc/17/72/02/375177202.db2.gz BFZUEAOICQCLHF-UONOGXRCSA-N 2 1 342.440 -1.436 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627300470 375177698 /nfs/dbraw/zinc/17/76/98/375177698.db2.gz BFZUEAOICQCLHF-ZIAGYGMSSA-N 2 1 342.440 -1.436 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627300525 375177154 /nfs/dbraw/zinc/17/71/54/375177154.db2.gz DVXMOUWRSBBXOY-AWEZNQCLSA-N 2 1 344.456 -1.107 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627300526 375178129 /nfs/dbraw/zinc/17/81/29/375178129.db2.gz DVXMOUWRSBBXOY-CQSZACIVSA-N 2 1 344.456 -1.107 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627312581 375183712 /nfs/dbraw/zinc/18/37/12/375183712.db2.gz CAJBCGDKJIFOOJ-RRQGHBQHSA-N 2 1 337.468 -1.194 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627312582 375185074 /nfs/dbraw/zinc/18/50/74/375185074.db2.gz CAJBCGDKJIFOOJ-XYPHTWIQSA-N 2 1 337.468 -1.194 20 0 EAADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000627313003 375184049 /nfs/dbraw/zinc/18/40/49/375184049.db2.gz QJNAARBPPQRWSK-KBPBESRZSA-N 2 1 325.457 -1.195 20 0 EAADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000627313004 375184473 /nfs/dbraw/zinc/18/44/73/375184473.db2.gz QJNAARBPPQRWSK-KGLIPLIRSA-N 2 1 325.457 -1.195 20 0 EAADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000627313005 375184362 /nfs/dbraw/zinc/18/43/62/375184362.db2.gz QJNAARBPPQRWSK-UONOGXRCSA-N 2 1 325.457 -1.195 20 0 EAADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000627313006 375184901 /nfs/dbraw/zinc/18/49/01/375184901.db2.gz QJNAARBPPQRWSK-ZIAGYGMSSA-N 2 1 325.457 -1.195 20 0 EAADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000627324487 375186681 /nfs/dbraw/zinc/18/66/81/375186681.db2.gz CAPPDZHXNLSZKU-KGLIPLIRSA-N 2 1 325.457 -1.147 20 0 EAADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000627324488 375186324 /nfs/dbraw/zinc/18/63/24/375186324.db2.gz CAPPDZHXNLSZKU-ZIAGYGMSSA-N 2 1 325.457 -1.147 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334004 375185956 /nfs/dbraw/zinc/18/59/56/375185956.db2.gz BWCSUEVZUPVSSC-QWHCGFSZSA-N 2 1 325.457 -1.005 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334038 375186101 /nfs/dbraw/zinc/18/61/01/375186101.db2.gz DAQHFJPSVNYKPE-UHFFFAOYSA-N 2 1 343.472 -1.519 20 0 EAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000627334085 375186697 /nfs/dbraw/zinc/18/66/97/375186697.db2.gz FUIXHYCZNMCJHW-CYBMUJFWSA-N 2 1 341.456 -1.767 20 0 EAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1(C)C ZINC000627334086 375186216 /nfs/dbraw/zinc/18/62/16/375186216.db2.gz FUIXHYCZNMCJHW-ZDUSSCGKSA-N 2 1 341.456 -1.767 20 0 EAADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCCOCCC[NH3+])CC1(C)C ZINC000627334551 375187199 /nfs/dbraw/zinc/18/71/99/375187199.db2.gz ULEHYIFDGBLPDW-UHFFFAOYSA-N 2 1 343.472 -1.390 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000627334611 375186950 /nfs/dbraw/zinc/18/69/50/375186950.db2.gz WBQFMOCEJKKXEZ-UHFFFAOYSA-N 2 1 343.472 -1.438 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000627338692 375189098 /nfs/dbraw/zinc/18/90/98/375189098.db2.gz NOAHJQKPLVVJOC-GXTWGEPZSA-N 2 1 325.457 -1.005 20 0 EAADMP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C[NH+]1CCOCC1 ZINC000627346454 375190681 /nfs/dbraw/zinc/19/06/81/375190681.db2.gz REERCSGICLQJLF-CYBMUJFWSA-N 2 1 330.429 -1.495 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C[NH+]1CCOCC1 ZINC000627346455 375190832 /nfs/dbraw/zinc/19/08/32/375190832.db2.gz REERCSGICLQJLF-ZDUSSCGKSA-N 2 1 330.429 -1.495 20 0 EAADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000627346499 375191190 /nfs/dbraw/zinc/19/11/90/375191190.db2.gz SOFLEDKJINJIQC-CYBMUJFWSA-N 2 1 342.440 -1.305 20 0 EAADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCOCC1 ZINC000627346500 375190609 /nfs/dbraw/zinc/19/06/09/375190609.db2.gz SOFLEDKJINJIQC-ZDUSSCGKSA-N 2 1 342.440 -1.305 20 0 EAADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627350755 375193278 /nfs/dbraw/zinc/19/32/78/375193278.db2.gz AZUOSHRDTVBWQM-QWHCGFSZSA-N 2 1 339.440 -1.477 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627350909 375192180 /nfs/dbraw/zinc/19/21/80/375192180.db2.gz FJLVLSURNDAHDN-UHFFFAOYSA-N 2 1 343.428 -2.381 20 0 EAADMP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627350958 375192473 /nfs/dbraw/zinc/19/24/73/375192473.db2.gz GONXIOPPKYVAIJ-CHWSQXEVSA-N 2 1 339.440 -1.477 20 0 EAADMP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627350959 375193171 /nfs/dbraw/zinc/19/31/71/375193171.db2.gz GONXIOPPKYVAIJ-OLZOCXBDSA-N 2 1 339.440 -1.477 20 0 EAADMP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627350960 375193121 /nfs/dbraw/zinc/19/31/21/375193121.db2.gz GONXIOPPKYVAIJ-QWHCGFSZSA-N 2 1 339.440 -1.477 20 0 EAADMP C[C@H]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000627350961 375192494 /nfs/dbraw/zinc/19/24/94/375192494.db2.gz GONXIOPPKYVAIJ-STQMWFEESA-N 2 1 339.440 -1.477 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627351315 375193458 /nfs/dbraw/zinc/19/34/58/375193458.db2.gz OGSBVJZSHPKLRF-UHFFFAOYSA-N 2 1 343.428 -2.300 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000627351380 375193545 /nfs/dbraw/zinc/19/35/45/375193545.db2.gz QFYINBMPTDYYGT-NWDGAFQWSA-N 2 1 325.413 -1.867 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627351565 375192041 /nfs/dbraw/zinc/19/20/41/375192041.db2.gz WLSCWRUCASWMAK-UHFFFAOYSA-N 2 1 343.428 -2.252 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627352329 375192137 /nfs/dbraw/zinc/19/21/37/375192137.db2.gz SPQVYMFENJSPCP-GFCCVEGCSA-N 2 1 327.429 -1.503 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000627352330 375192640 /nfs/dbraw/zinc/19/26/40/375192640.db2.gz SPQVYMFENJSPCP-LBPRGKRZSA-N 2 1 327.429 -1.503 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000627352513 375193308 /nfs/dbraw/zinc/19/33/08/375193308.db2.gz ZBVMFKUCODURSB-RWMBFGLXSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000627352514 375193028 /nfs/dbraw/zinc/19/30/28/375193028.db2.gz ZBVMFKUCODURSB-YNEHKIRRSA-N 2 1 339.440 -1.443 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355666 375202281 /nfs/dbraw/zinc/20/22/81/375202281.db2.gz MSJBCPODNZBOAN-CHWSQXEVSA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627355666 375202275 /nfs/dbraw/zinc/20/22/75/375202275.db2.gz MSJBCPODNZBOAN-CHWSQXEVSA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355667 375201551 /nfs/dbraw/zinc/20/15/51/375201551.db2.gz MSJBCPODNZBOAN-OLZOCXBDSA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355667 375201545 /nfs/dbraw/zinc/20/15/45/375201545.db2.gz MSJBCPODNZBOAN-OLZOCXBDSA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627355668 375202018 /nfs/dbraw/zinc/20/20/18/375202018.db2.gz MSJBCPODNZBOAN-QWHCGFSZSA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627355668 375202010 /nfs/dbraw/zinc/20/20/10/375202010.db2.gz MSJBCPODNZBOAN-QWHCGFSZSA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355669 375201988 /nfs/dbraw/zinc/20/19/88/375201988.db2.gz MSJBCPODNZBOAN-STQMWFEESA-N 2 1 330.429 -1.484 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627355669 375201982 /nfs/dbraw/zinc/20/19/82/375201982.db2.gz MSJBCPODNZBOAN-STQMWFEESA-N 2 1 330.429 -1.484 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627360962 375201796 /nfs/dbraw/zinc/20/17/96/375201796.db2.gz BEVKOSXIHNZLCW-UHFFFAOYSA-N 2 1 330.429 -1.305 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000627365867 374407746 /nfs/dbraw/zinc/40/77/46/374407746.db2.gz AZCHYXRLTGQPCG-CYBMUJFWSA-N 2 1 341.456 -1.148 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000627365868 374407657 /nfs/dbraw/zinc/40/76/57/374407657.db2.gz AZCHYXRLTGQPCG-ZDUSSCGKSA-N 2 1 341.456 -1.148 20 0 EAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627366701 375202189 /nfs/dbraw/zinc/20/21/89/375202189.db2.gz ZIDNQCVEWNYTHH-CHWSQXEVSA-N 2 1 339.440 -1.477 20 0 EAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627366702 375201272 /nfs/dbraw/zinc/20/12/72/375201272.db2.gz ZIDNQCVEWNYTHH-OLZOCXBDSA-N 2 1 339.440 -1.477 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627367120 375202532 /nfs/dbraw/zinc/20/25/32/375202532.db2.gz KTCYGJKUWSOCBB-CYBMUJFWSA-N 2 1 342.440 -1.163 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627367121 375201858 /nfs/dbraw/zinc/20/18/58/375201858.db2.gz KTCYGJKUWSOCBB-ZDUSSCGKSA-N 2 1 342.440 -1.163 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367466 375202215 /nfs/dbraw/zinc/20/22/15/375202215.db2.gz VAZHFCURMKXHLA-CHWSQXEVSA-N 2 1 328.413 -1.682 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627367467 375202395 /nfs/dbraw/zinc/20/23/95/375202395.db2.gz VAZHFCURMKXHLA-OLZOCXBDSA-N 2 1 328.413 -1.682 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367468 375201905 /nfs/dbraw/zinc/20/19/05/375201905.db2.gz VAZHFCURMKXHLA-QWHCGFSZSA-N 2 1 328.413 -1.682 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627367469 375201491 /nfs/dbraw/zinc/20/14/91/375201491.db2.gz VAZHFCURMKXHLA-STQMWFEESA-N 2 1 328.413 -1.682 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000627370925 375201313 /nfs/dbraw/zinc/20/13/13/375201313.db2.gz QTXCTGOWEBYMGB-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627398024 375203982 /nfs/dbraw/zinc/20/39/82/375203982.db2.gz BDSNINORMVMLRW-UONOGXRCSA-N 2 1 325.457 -1.146 20 0 EAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627398025 375204322 /nfs/dbraw/zinc/20/43/22/375204322.db2.gz BDSNINORMVMLRW-ZIAGYGMSSA-N 2 1 325.457 -1.146 20 0 EAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000627398358 375203450 /nfs/dbraw/zinc/20/34/50/375203450.db2.gz LIUBYLVZBMPDHF-HZSPNIEDSA-N 2 1 325.457 -1.147 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000627398359 375203851 /nfs/dbraw/zinc/20/38/51/375203851.db2.gz LIUBYLVZBMPDHF-MELADBBJSA-N 2 1 325.457 -1.147 20 0 EAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454317 374858976 /nfs/dbraw/zinc/85/89/76/374858976.db2.gz MUZRENFBWBEUJT-UHFFFAOYSA-N 2 1 342.440 -1.474 20 0 EAADMP [NH3+]C1(CNC(=O)C(=O)NCC[NH+]2CCSCC2)CCOCC1 ZINC000627454719 375209181 /nfs/dbraw/zinc/20/91/81/375209181.db2.gz XPKMCSDBDUNZEC-UHFFFAOYSA-N 2 1 330.454 -1.225 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000627461122 375208540 /nfs/dbraw/zinc/20/85/40/375208540.db2.gz FEEJGCQIPSYZJX-UHFFFAOYSA-N 2 1 344.456 -1.092 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000627462686 375208601 /nfs/dbraw/zinc/20/86/01/375208601.db2.gz AQFJCRAIPBMNKU-UHFFFAOYSA-N 2 1 330.429 -1.746 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000627462849 375208561 /nfs/dbraw/zinc/20/85/61/375208561.db2.gz GHCUJGOGDFTZKF-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000627462849 375208556 /nfs/dbraw/zinc/20/85/56/375208556.db2.gz GHCUJGOGDFTZKF-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000627462850 375208498 /nfs/dbraw/zinc/20/84/98/375208498.db2.gz GHCUJGOGDFTZKF-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000627462850 375208496 /nfs/dbraw/zinc/20/84/96/375208496.db2.gz GHCUJGOGDFTZKF-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000627463406 375210104 /nfs/dbraw/zinc/21/01/04/375210104.db2.gz WOILIZIHBHJDTB-UHFFFAOYSA-N 2 1 342.440 -1.338 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627463871 375210392 /nfs/dbraw/zinc/21/03/92/375210392.db2.gz KYEKCGXVZDNFPC-AWEZNQCLSA-N 2 1 342.440 -1.481 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627463872 375211253 /nfs/dbraw/zinc/21/12/53/375211253.db2.gz KYEKCGXVZDNFPC-CQSZACIVSA-N 2 1 342.440 -1.481 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000627464300 375211400 /nfs/dbraw/zinc/21/14/00/375211400.db2.gz XLTFXEANLRRUSC-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000627464300 375211395 /nfs/dbraw/zinc/21/13/95/375211395.db2.gz XLTFXEANLRRUSC-CYBMUJFWSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000627464301 375211233 /nfs/dbraw/zinc/21/12/33/375211233.db2.gz XLTFXEANLRRUSC-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000627464301 375211225 /nfs/dbraw/zinc/21/12/25/375211225.db2.gz XLTFXEANLRRUSC-ZDUSSCGKSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627469902 375210628 /nfs/dbraw/zinc/21/06/28/375210628.db2.gz HNYYAKVZKMLQAM-CYBMUJFWSA-N 2 1 329.445 -1.957 20 0 EAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627469903 375210886 /nfs/dbraw/zinc/21/08/86/375210886.db2.gz HNYYAKVZKMLQAM-ZDUSSCGKSA-N 2 1 329.445 -1.957 20 0 EAADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000627473090 375212711 /nfs/dbraw/zinc/21/27/11/375212711.db2.gz GYKVLMJLPPAQIF-HZSPNIEDSA-N 2 1 342.440 -1.294 20 0 EAADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000627473093 375214422 /nfs/dbraw/zinc/21/44/22/375214422.db2.gz GYKVLMJLPPAQIF-MJBXVCDLSA-N 2 1 342.440 -1.294 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000627484742 375215673 /nfs/dbraw/zinc/21/56/73/375215673.db2.gz HUNFWLOZFYJMST-AWEZNQCLSA-N 2 1 342.440 -1.351 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000627484743 375215923 /nfs/dbraw/zinc/21/59/23/375215923.db2.gz HUNFWLOZFYJMST-CQSZACIVSA-N 2 1 342.440 -1.351 20 0 EAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485611 375218274 /nfs/dbraw/zinc/21/82/74/375218274.db2.gz GTCKNYQNYYYMLF-CYBMUJFWSA-N 2 1 344.456 -1.228 20 0 EAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485611 375218266 /nfs/dbraw/zinc/21/82/66/375218266.db2.gz GTCKNYQNYYYMLF-CYBMUJFWSA-N 2 1 344.456 -1.228 20 0 EAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485612 375216927 /nfs/dbraw/zinc/21/69/27/375216927.db2.gz GTCKNYQNYYYMLF-ZDUSSCGKSA-N 2 1 344.456 -1.228 20 0 EAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCOCCC[NH3+] ZINC000627485612 375216921 /nfs/dbraw/zinc/21/69/21/375216921.db2.gz GTCKNYQNYYYMLF-ZDUSSCGKSA-N 2 1 344.456 -1.228 20 0 EAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627487314 375217852 /nfs/dbraw/zinc/21/78/52/375217852.db2.gz ZGXKVCJLYGDIMQ-UHFFFAOYSA-N 2 1 330.429 -1.617 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000627487315 375217492 /nfs/dbraw/zinc/21/74/92/375217492.db2.gz ZIIXLIVTFXKLBS-CYBMUJFWSA-N 2 1 344.456 -1.228 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000627487315 375217488 /nfs/dbraw/zinc/21/74/88/375217488.db2.gz ZIIXLIVTFXKLBS-CYBMUJFWSA-N 2 1 344.456 -1.228 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000627487316 375217422 /nfs/dbraw/zinc/21/74/22/375217422.db2.gz ZIIXLIVTFXKLBS-ZDUSSCGKSA-N 2 1 344.456 -1.228 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)NCCOCCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000627487316 375217416 /nfs/dbraw/zinc/21/74/16/375217416.db2.gz ZIIXLIVTFXKLBS-ZDUSSCGKSA-N 2 1 344.456 -1.228 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000627488241 375218205 /nfs/dbraw/zinc/21/82/05/375218205.db2.gz UPXLXNPHNXSCEJ-UHFFFAOYSA-N 2 1 342.440 -1.209 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000627498647 375220084 /nfs/dbraw/zinc/22/00/84/375220084.db2.gz GSDCMDUSEAEGAK-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000627500914 375220244 /nfs/dbraw/zinc/22/02/44/375220244.db2.gz QVVUZBMRERRIBI-QWHCGFSZSA-N 2 1 339.440 -1.525 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505323 375220313 /nfs/dbraw/zinc/22/03/13/375220313.db2.gz IKNJPPBZMRJDTG-CHWSQXEVSA-N 2 1 337.424 -1.771 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505324 375219392 /nfs/dbraw/zinc/21/93/92/375219392.db2.gz IKNJPPBZMRJDTG-OLZOCXBDSA-N 2 1 337.424 -1.771 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627505654 375219187 /nfs/dbraw/zinc/21/91/87/375219187.db2.gz YMGMRGWRNOXOCN-GFCCVEGCSA-N 2 1 325.413 -1.913 20 0 EAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507288 375219472 /nfs/dbraw/zinc/21/94/72/375219472.db2.gz LBBYFLQQACGRMT-CYBMUJFWSA-N 2 1 325.457 -1.051 20 0 EAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507288 375219467 /nfs/dbraw/zinc/21/94/67/375219467.db2.gz LBBYFLQQACGRMT-CYBMUJFWSA-N 2 1 325.457 -1.051 20 0 EAADMP CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CN1CC[NH+](C)CC1 ZINC000628577294 374895631 /nfs/dbraw/zinc/89/56/31/374895631.db2.gz OBHFNURSUKJQSP-KRWDZBQOSA-N 2 1 340.468 -1.034 20 0 EAADMP CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CN1CC[NH+](C)CC1 ZINC000628577297 374894334 /nfs/dbraw/zinc/89/43/34/374894334.db2.gz OBHFNURSUKJQSP-QGZVFWFLSA-N 2 1 340.468 -1.034 20 0 EAADMP CS(=O)(=O)N1CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629558261 374931712 /nfs/dbraw/zinc/93/17/12/374931712.db2.gz VUYZDULCTCNWLW-AWEZNQCLSA-N 2 1 334.486 -1.390 20 0 EAADMP CS(=O)(=O)N1CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629558262 374931216 /nfs/dbraw/zinc/93/12/16/374931216.db2.gz VUYZDULCTCNWLW-CQSZACIVSA-N 2 1 334.486 -1.390 20 0 EAADMP C[NH2+]CCOCC[N@@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000629570618 374931785 /nfs/dbraw/zinc/93/17/85/374931785.db2.gz FCJCZFQUXBUCRL-UHFFFAOYSA-N 2 1 338.412 -1.399 20 0 EAADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000629571277 374931488 /nfs/dbraw/zinc/93/14/88/374931488.db2.gz KFVFQSQALAWOCK-UHFFFAOYSA-N 2 1 343.472 -1.613 20 0 EAADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000629571277 374931480 /nfs/dbraw/zinc/93/14/80/374931480.db2.gz KFVFQSQALAWOCK-UHFFFAOYSA-N 2 1 343.472 -1.613 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629577265 374933740 /nfs/dbraw/zinc/93/37/40/374933740.db2.gz GBEOZLYQWGMDLZ-UHFFFAOYSA-N 2 1 329.445 -1.874 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629577265 374933732 /nfs/dbraw/zinc/93/37/32/374933732.db2.gz GBEOZLYQWGMDLZ-UHFFFAOYSA-N 2 1 329.445 -1.874 20 0 EAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CCOCC[NH3+])c(=O)n2C ZINC000629578202 374933550 /nfs/dbraw/zinc/93/35/50/374933550.db2.gz OKROSZUBMUTJRT-UHFFFAOYSA-N 2 1 338.412 -1.269 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000629794804 374938587 /nfs/dbraw/zinc/93/85/87/374938587.db2.gz DEQKQUJCEVWMSN-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000629795034 374938121 /nfs/dbraw/zinc/93/81/21/374938121.db2.gz FZEZUNQKAHVZPF-UHFFFAOYSA-N 2 1 330.429 -1.665 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000629798851 374938422 /nfs/dbraw/zinc/93/84/22/374938422.db2.gz LTKRAVRUOARPFK-UHFFFAOYSA-N 2 1 342.440 -1.257 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000629800397 374938646 /nfs/dbraw/zinc/93/86/46/374938646.db2.gz RPYCPUCGOJCCJZ-UHFFFAOYSA-N 2 1 327.429 -1.584 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000629801145 374938340 /nfs/dbraw/zinc/93/83/40/374938340.db2.gz HSGADCUMTLVNAJ-CYBMUJFWSA-N 2 1 339.440 -1.441 20 0 EAADMP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000629801146 374938670 /nfs/dbraw/zinc/93/86/70/374938670.db2.gz HSGADCUMTLVNAJ-ZDUSSCGKSA-N 2 1 339.440 -1.441 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000629802270 374940232 /nfs/dbraw/zinc/94/02/32/374940232.db2.gz SVLYTHUINBVRTP-CYBMUJFWSA-N 2 1 344.456 -1.276 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000629802270 374940229 /nfs/dbraw/zinc/94/02/29/374940229.db2.gz SVLYTHUINBVRTP-CYBMUJFWSA-N 2 1 344.456 -1.276 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@H+]1CC(C)(C)O ZINC000629802271 374940138 /nfs/dbraw/zinc/94/01/38/374940138.db2.gz SVLYTHUINBVRTP-ZDUSSCGKSA-N 2 1 344.456 -1.276 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CC[N@@H+]1CC(C)(C)O ZINC000629802271 374940131 /nfs/dbraw/zinc/94/01/31/374940131.db2.gz SVLYTHUINBVRTP-ZDUSSCGKSA-N 2 1 344.456 -1.276 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000629802993 374941084 /nfs/dbraw/zinc/94/10/84/374941084.db2.gz YBQFMKCCYFDCNS-AWEZNQCLSA-N 2 1 342.440 -1.399 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000629802995 374940792 /nfs/dbraw/zinc/94/07/92/374940792.db2.gz YBQFMKCCYFDCNS-CQSZACIVSA-N 2 1 342.440 -1.399 20 0 EAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803521 374940528 /nfs/dbraw/zinc/94/05/28/374940528.db2.gz SDNTZXUVEAQNCC-CYBMUJFWSA-N 2 1 344.456 -1.276 20 0 EAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803521 374940522 /nfs/dbraw/zinc/94/05/22/374940522.db2.gz SDNTZXUVEAQNCC-CYBMUJFWSA-N 2 1 344.456 -1.276 20 0 EAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803522 374940223 /nfs/dbraw/zinc/94/02/23/374940223.db2.gz SDNTZXUVEAQNCC-ZDUSSCGKSA-N 2 1 344.456 -1.276 20 0 EAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803522 374940218 /nfs/dbraw/zinc/94/02/18/374940218.db2.gz SDNTZXUVEAQNCC-ZDUSSCGKSA-N 2 1 344.456 -1.276 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000629805000 374942913 /nfs/dbraw/zinc/94/29/13/374942913.db2.gz IBMTXXOEUWRIIM-QWHCGFSZSA-N 2 1 328.413 -2.042 20 0 EAADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC000629806218 374944009 /nfs/dbraw/zinc/94/40/09/374944009.db2.gz SNEBMRCSRBFRIS-UWWPHRKUSA-N 2 1 336.436 -1.278 20 0 EAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629809280 374943541 /nfs/dbraw/zinc/94/35/41/374943541.db2.gz PEYABCBHPWLHCX-UHFFFAOYSA-N 2 1 344.456 -1.011 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000629816583 374945623 /nfs/dbraw/zinc/94/56/23/374945623.db2.gz NLOWVBKXGXQPGJ-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000629816583 374945618 /nfs/dbraw/zinc/94/56/18/374945618.db2.gz NLOWVBKXGXQPGJ-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000629817332 374948107 /nfs/dbraw/zinc/94/81/07/374948107.db2.gz XYPCIAUUKOPCFP-OKILXGFUSA-N 2 1 344.456 -1.406 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000629817332 374948102 /nfs/dbraw/zinc/94/81/02/374948102.db2.gz XYPCIAUUKOPCFP-OKILXGFUSA-N 2 1 344.456 -1.406 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000629819621 374947342 /nfs/dbraw/zinc/94/73/42/374947342.db2.gz PHVCOANCGAVGKM-UHFFFAOYSA-N 2 1 330.429 -1.665 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000629819621 374947335 /nfs/dbraw/zinc/94/73/35/374947335.db2.gz PHVCOANCGAVGKM-UHFFFAOYSA-N 2 1 330.429 -1.665 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000629819819 374948019 /nfs/dbraw/zinc/94/80/19/374948019.db2.gz QXUIJBUJPWOCSG-BETUJISGSA-N 2 1 330.429 -1.666 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H](C)[N@H+]1CCO ZINC000629819819 374948016 /nfs/dbraw/zinc/94/80/16/374948016.db2.gz QXUIJBUJPWOCSG-BETUJISGSA-N 2 1 330.429 -1.666 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC[NH+]1CCSCC1 ZINC000630343571 375017408 /nfs/dbraw/zinc/01/74/08/375017408.db2.gz DAVXFYWFTKLARO-UHFFFAOYSA-N 2 1 329.470 -1.827 20 0 EAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000630343892 375016448 /nfs/dbraw/zinc/01/64/48/375016448.db2.gz VTGZFAWJKMSUMW-UHFFFAOYSA-N 2 1 341.456 -2.077 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000631839313 375229970 /nfs/dbraw/zinc/22/99/70/375229970.db2.gz DKJKUZOOEFCMNJ-ZIAGYGMSSA-N 2 1 325.457 -1.255 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000631839313 375229960 /nfs/dbraw/zinc/22/99/60/375229960.db2.gz DKJKUZOOEFCMNJ-ZIAGYGMSSA-N 2 1 325.457 -1.255 20 0 EAADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631913179 375230838 /nfs/dbraw/zinc/23/08/38/375230838.db2.gz GEZXJFFQEXYKRS-GFCCVEGCSA-N 2 1 334.442 -1.942 20 0 EAADMP C[NH+]1CCN(C(=O)CCNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631913180 375230671 /nfs/dbraw/zinc/23/06/71/375230671.db2.gz GEZXJFFQEXYKRS-LBPRGKRZSA-N 2 1 334.442 -1.942 20 0 EAADMP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000631914128 375230581 /nfs/dbraw/zinc/23/05/81/375230581.db2.gz TVAVGCYBXTXULF-UHFFFAOYSA-N 2 1 347.485 -1.331 20 0 EAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631926460 375232079 /nfs/dbraw/zinc/23/20/79/375232079.db2.gz YWLYFSPSKDDKDZ-KBPBESRZSA-N 2 1 333.454 -1.041 20 0 EAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631926461 375232685 /nfs/dbraw/zinc/23/26/85/375232685.db2.gz YWLYFSPSKDDKDZ-KGLIPLIRSA-N 2 1 333.454 -1.041 20 0 EAADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631926462 375232223 /nfs/dbraw/zinc/23/22/23/375232223.db2.gz YWLYFSPSKDDKDZ-UONOGXRCSA-N 2 1 333.454 -1.041 20 0 EAADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631926463 375232782 /nfs/dbraw/zinc/23/27/82/375232782.db2.gz YWLYFSPSKDDKDZ-ZIAGYGMSSA-N 2 1 333.454 -1.041 20 0 EAADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631930110 375233008 /nfs/dbraw/zinc/23/30/08/375233008.db2.gz XIAKUYFUWNCZQJ-CHWSQXEVSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631930111 375232346 /nfs/dbraw/zinc/23/23/46/375232346.db2.gz XIAKUYFUWNCZQJ-OLZOCXBDSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631930112 375232526 /nfs/dbraw/zinc/23/25/26/375232526.db2.gz XIAKUYFUWNCZQJ-QWHCGFSZSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631930113 375232838 /nfs/dbraw/zinc/23/28/38/375232838.db2.gz XIAKUYFUWNCZQJ-STQMWFEESA-N 2 1 346.453 -1.799 20 0 EAADMP CN1CCN(CCCS(=O)(=O)N(CCC[NH3+])CCC[NH3+])CC1 ZINC000631941339 375232123 /nfs/dbraw/zinc/23/21/23/375232123.db2.gz UOCPDKYOMCOBAZ-UHFFFAOYSA-N 2 1 335.518 -1.047 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631950817 375233140 /nfs/dbraw/zinc/23/31/40/375233140.db2.gz RIWYGKYINRIAQD-GFCCVEGCSA-N 2 1 336.458 -1.744 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631950818 375232322 /nfs/dbraw/zinc/23/23/22/375232322.db2.gz RIWYGKYINRIAQD-LBPRGKRZSA-N 2 1 336.458 -1.744 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631950871 375232367 /nfs/dbraw/zinc/23/23/67/375232367.db2.gz SOAJBBAUZSYGTC-UHFFFAOYSA-N 2 1 349.501 -1.133 20 0 EAADMP CC[N@@H+](CCO)CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632226102 375236912 /nfs/dbraw/zinc/23/69/12/375236912.db2.gz JHWIWGXTHOSFEF-UHFFFAOYSA-N 2 1 336.502 -1.143 20 0 EAADMP C[NH+]1CCN(CCCS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000632538509 375239208 /nfs/dbraw/zinc/23/92/08/375239208.db2.gz NZRFFXQBSFEYRN-LSDHHAIUSA-N 2 1 346.497 -1.296 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C[NH3+] ZINC000633087240 375245555 /nfs/dbraw/zinc/24/55/55/375245555.db2.gz HVVSXWATSQWJPW-CHWSQXEVSA-N 2 1 326.441 -1.045 20 0 EAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)C1 ZINC000633089936 375245358 /nfs/dbraw/zinc/24/53/58/375245358.db2.gz TVQZHKJAJIHFEB-KKUMJFAQSA-N 2 1 335.452 -1.203 20 0 EAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)C1 ZINC000633089937 375245757 /nfs/dbraw/zinc/24/57/57/375245757.db2.gz TVQZHKJAJIHFEB-ZNMIVQPWSA-N 2 1 335.452 -1.203 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633096486 375244934 /nfs/dbraw/zinc/24/49/34/375244934.db2.gz IASFMOUQNDDMJG-STQMWFEESA-N 2 1 337.424 -1.818 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633101767 375247191 /nfs/dbraw/zinc/24/71/91/375247191.db2.gz PQBYTRCABNRHQB-IHRRRGAJSA-N 2 1 349.435 -1.676 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633101771 375247531 /nfs/dbraw/zinc/24/75/31/375247531.db2.gz PQBYTRCABNRHQB-MELADBBJSA-N 2 1 349.435 -1.676 20 0 EAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CCN1 ZINC000633107271 374823812 /nfs/dbraw/zinc/82/38/12/374823812.db2.gz YNMAGJZUCLDMLD-AWEZNQCLSA-N 2 1 346.435 -1.016 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CCc3cnccn3)CC2)CCN1 ZINC000633107274 374824088 /nfs/dbraw/zinc/82/40/88/374824088.db2.gz YNMAGJZUCLDMLD-CQSZACIVSA-N 2 1 346.435 -1.016 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633113302 375246937 /nfs/dbraw/zinc/24/69/37/375246937.db2.gz LXMQFKKZZASLMU-YIYPIFLZSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633113302 375246933 /nfs/dbraw/zinc/24/69/33/375246933.db2.gz LXMQFKKZZASLMU-YIYPIFLZSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000633114288 374826238 /nfs/dbraw/zinc/82/62/38/374826238.db2.gz WAKWFQHZYTWROC-CHWSQXEVSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000633114288 374826234 /nfs/dbraw/zinc/82/62/34/374826234.db2.gz WAKWFQHZYTWROC-CHWSQXEVSA-N 2 1 326.441 -1.045 20 0 EAADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CC[NH+](C)C ZINC000633115582 375247405 /nfs/dbraw/zinc/24/74/05/375247405.db2.gz UTAHZOMEWDBYAH-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633115582 375247399 /nfs/dbraw/zinc/24/73/99/375247399.db2.gz UTAHZOMEWDBYAH-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000633150003 375248244 /nfs/dbraw/zinc/24/82/44/375248244.db2.gz YPYPXSFPMJZLCI-CHWSQXEVSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000633150004 375248642 /nfs/dbraw/zinc/24/86/42/375248642.db2.gz YPYPXSFPMJZLCI-OLZOCXBDSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000633150005 375249335 /nfs/dbraw/zinc/24/93/35/375249335.db2.gz YPYPXSFPMJZLCI-QWHCGFSZSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000633150006 375249279 /nfs/dbraw/zinc/24/92/79/375249279.db2.gz YPYPXSFPMJZLCI-STQMWFEESA-N 2 1 339.440 -1.443 20 0 EAADMP CC1(C)CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CCO ZINC000634233435 375251095 /nfs/dbraw/zinc/25/10/95/375251095.db2.gz CCQRCYZAGVMLTQ-UHFFFAOYSA-N 2 1 327.429 -1.484 20 0 EAADMP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000634233595 375249969 /nfs/dbraw/zinc/24/99/69/375249969.db2.gz YVPCIPGJIPFCJZ-CYBMUJFWSA-N 2 1 341.456 -1.095 20 0 EAADMP C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000634233598 375250097 /nfs/dbraw/zinc/25/00/97/375250097.db2.gz YVPCIPGJIPFCJZ-ZDUSSCGKSA-N 2 1 341.456 -1.095 20 0 EAADMP O=C(CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC000634249894 375250214 /nfs/dbraw/zinc/25/02/14/375250214.db2.gz ZRLOIRHNSOYPOZ-AWEZNQCLSA-N 2 1 339.440 -1.076 20 0 EAADMP O=C(CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC000634249895 375250688 /nfs/dbraw/zinc/25/06/88/375250688.db2.gz ZRLOIRHNSOYPOZ-CQSZACIVSA-N 2 1 339.440 -1.076 20 0 EAADMP O=C(NC[C@H]1CCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000634270785 375250245 /nfs/dbraw/zinc/25/02/45/375250245.db2.gz PQVYUEWOQDVELA-GFCCVEGCSA-N 2 1 345.469 -1.243 20 0 EAADMP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000634270786 375251218 /nfs/dbraw/zinc/25/12/18/375251218.db2.gz PQVYUEWOQDVELA-LBPRGKRZSA-N 2 1 345.469 -1.243 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636550124 374428245 /nfs/dbraw/zinc/42/82/45/374428245.db2.gz LIYOMLGVDZUCJQ-CYBMUJFWSA-N 2 1 327.429 -1.484 20 0 EAADMP CN1CCN(C(=O)CCNC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636550124 374428234 /nfs/dbraw/zinc/42/82/34/374428234.db2.gz LIYOMLGVDZUCJQ-CYBMUJFWSA-N 2 1 327.429 -1.484 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636550125 374429097 /nfs/dbraw/zinc/42/90/97/374429097.db2.gz LIYOMLGVDZUCJQ-ZDUSSCGKSA-N 2 1 327.429 -1.484 20 0 EAADMP CN1CCN(C(=O)CCNC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636550125 374429075 /nfs/dbraw/zinc/42/90/75/374429075.db2.gz LIYOMLGVDZUCJQ-ZDUSSCGKSA-N 2 1 327.429 -1.484 20 0 EAADMP CN1CCOC[C@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000636550206 374428759 /nfs/dbraw/zinc/42/87/59/374428759.db2.gz NLCQFGDNFYWRCF-CYBMUJFWSA-N 2 1 327.429 -1.220 20 0 EAADMP CN1CCOC[C@@H]1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000636550207 374429699 /nfs/dbraw/zinc/42/96/99/374429699.db2.gz NLCQFGDNFYWRCF-ZDUSSCGKSA-N 2 1 327.429 -1.220 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636761654 374535807 /nfs/dbraw/zinc/53/58/07/374535807.db2.gz ODAXPCIOIUNFCS-AWEZNQCLSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636761654 374535794 /nfs/dbraw/zinc/53/57/94/374535794.db2.gz ODAXPCIOIUNFCS-AWEZNQCLSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636761659 374536717 /nfs/dbraw/zinc/53/67/17/374536717.db2.gz ODAXPCIOIUNFCS-CQSZACIVSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636761659 374536713 /nfs/dbraw/zinc/53/67/13/374536713.db2.gz ODAXPCIOIUNFCS-CQSZACIVSA-N 2 1 341.456 -1.095 20 0 EAADMP O=C(NCC[NH2+]C1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000637340662 374560490 /nfs/dbraw/zinc/56/04/90/374560490.db2.gz UOIXOZFPYUUPQY-UHFFFAOYSA-N 2 1 331.442 -1.633 20 0 EAADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637813901 374628052 /nfs/dbraw/zinc/62/80/52/374628052.db2.gz TUSNLUBPBNMDAT-HNNXBMFYSA-N 2 1 333.436 -1.006 20 0 EAADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637813902 374628886 /nfs/dbraw/zinc/62/88/86/374628886.db2.gz TUSNLUBPBNMDAT-OAHLLOKOSA-N 2 1 333.436 -1.006 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638070507 374636030 /nfs/dbraw/zinc/63/60/30/374636030.db2.gz ZNIXJRFDQBJLCQ-UHFFFAOYSA-N 2 1 325.457 -1.002 20 0 EAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638096029 374638193 /nfs/dbraw/zinc/63/81/93/374638193.db2.gz FYBDKQDFBHEGSA-AWEZNQCLSA-N 2 1 325.457 -1.050 20 0 EAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CC[NH2+]CC1 ZINC000638096039 374638320 /nfs/dbraw/zinc/63/83/20/374638320.db2.gz FYBDKQDFBHEGSA-CQSZACIVSA-N 2 1 325.457 -1.050 20 0 EAADMP C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000638116048 374638458 /nfs/dbraw/zinc/63/84/58/374638458.db2.gz CJRIMAYDDGFYTE-GDBMZVCRSA-N 2 1 326.441 -1.112 20 0 EAADMP C[C@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000638116052 374638146 /nfs/dbraw/zinc/63/81/46/374638146.db2.gz CJRIMAYDDGFYTE-GOEBONIOSA-N 2 1 326.441 -1.112 20 0 EAADMP C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000638116054 374638046 /nfs/dbraw/zinc/63/80/46/374638046.db2.gz CJRIMAYDDGFYTE-HOCLYGCPSA-N 2 1 326.441 -1.112 20 0 EAADMP C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]CCO1 ZINC000638116055 374639320 /nfs/dbraw/zinc/63/93/20/374639320.db2.gz CJRIMAYDDGFYTE-ZBFHGGJFSA-N 2 1 326.441 -1.112 20 0 EAADMP O=C(CN1CC[NH2+]CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117711 374638630 /nfs/dbraw/zinc/63/86/30/374638630.db2.gz NIUBVSVAGVDCLL-HNNXBMFYSA-N 2 1 325.457 -1.586 20 0 EAADMP O=C(CN1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000638117716 374639059 /nfs/dbraw/zinc/63/90/59/374639059.db2.gz NIUBVSVAGVDCLL-OAHLLOKOSA-N 2 1 325.457 -1.586 20 0 EAADMP O=C(CN1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349115 374646897 /nfs/dbraw/zinc/64/68/97/374646897.db2.gz HILBZYWNOZENCT-UHFFFAOYSA-N 2 1 331.442 -2.663 20 0 EAADMP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349414 374645880 /nfs/dbraw/zinc/64/58/80/374645880.db2.gz LHUUZIUDJAOKMV-BXUZGUMPSA-N 2 1 346.453 -1.801 20 0 EAADMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349415 374645993 /nfs/dbraw/zinc/64/59/93/374645993.db2.gz LHUUZIUDJAOKMV-FZMZJTMJSA-N 2 1 346.453 -1.801 20 0 EAADMP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349416 374645732 /nfs/dbraw/zinc/64/57/32/374645732.db2.gz LHUUZIUDJAOKMV-RISCZKNCSA-N 2 1 346.453 -1.801 20 0 EAADMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638349417 374647445 /nfs/dbraw/zinc/64/74/45/374647445.db2.gz LHUUZIUDJAOKMV-SMDDNHRTSA-N 2 1 346.453 -1.801 20 0 EAADMP C[C@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]CCO1 ZINC000638349577 374645452 /nfs/dbraw/zinc/64/54/52/374645452.db2.gz QNZMUIVHUZMXEM-CYBMUJFWSA-N 2 1 332.426 -2.189 20 0 EAADMP C[C@@]1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[NH2+]CCO1 ZINC000638349578 374647427 /nfs/dbraw/zinc/64/74/27/374647427.db2.gz QNZMUIVHUZMXEM-ZDUSSCGKSA-N 2 1 332.426 -2.189 20 0 EAADMP C[NH+](C)CC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000638349736 374645205 /nfs/dbraw/zinc/64/52/05/374645205.db2.gz UMEASFHCYABMKM-UHFFFAOYSA-N 2 1 330.454 -1.226 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638350015 374647161 /nfs/dbraw/zinc/64/71/61/374647161.db2.gz ZVOQXCBKOCENQD-GFCCVEGCSA-N 2 1 330.454 -1.226 20 0 EAADMP C[N@@H+]1CC[C@H](CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638350015 374647156 /nfs/dbraw/zinc/64/71/56/374647156.db2.gz ZVOQXCBKOCENQD-GFCCVEGCSA-N 2 1 330.454 -1.226 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638350016 374647245 /nfs/dbraw/zinc/64/72/45/374647245.db2.gz ZVOQXCBKOCENQD-LBPRGKRZSA-N 2 1 330.454 -1.226 20 0 EAADMP C[N@@H+]1CC[C@@H](CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000638350016 374647243 /nfs/dbraw/zinc/64/72/43/374647243.db2.gz ZVOQXCBKOCENQD-LBPRGKRZSA-N 2 1 330.454 -1.226 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638480254 374648665 /nfs/dbraw/zinc/64/86/65/374648665.db2.gz JACXIKLKJKDVRN-AWEZNQCLSA-N 2 1 339.440 -1.124 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638480254 374648661 /nfs/dbraw/zinc/64/86/61/374648661.db2.gz JACXIKLKJKDVRN-AWEZNQCLSA-N 2 1 339.440 -1.124 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638480255 374648865 /nfs/dbraw/zinc/64/88/65/374648865.db2.gz JACXIKLKJKDVRN-CQSZACIVSA-N 2 1 339.440 -1.124 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000638480255 374648860 /nfs/dbraw/zinc/64/88/60/374648860.db2.gz JACXIKLKJKDVRN-CQSZACIVSA-N 2 1 339.440 -1.124 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851191 374772820 /nfs/dbraw/zinc/77/28/20/374772820.db2.gz ZUGWVNYRNBYEDP-CAOSSQGBSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@@H](O)C[NH+]1CCOCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851192 374775453 /nfs/dbraw/zinc/77/54/53/374775453.db2.gz ZUGWVNYRNBYEDP-QKPAOTATSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639851192 374775448 /nfs/dbraw/zinc/77/54/48/374775448.db2.gz ZUGWVNYRNBYEDP-QKPAOTATSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639851192 374775442 /nfs/dbraw/zinc/77/54/42/374775442.db2.gz ZUGWVNYRNBYEDP-QKPAOTATSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1CCOCC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639851193 374775161 /nfs/dbraw/zinc/77/51/61/374775161.db2.gz ZUGWVNYRNBYEDP-SYMSYNOKSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[N@H+]1CCOCC[NH+]1C[C@H](O)C[C@@]1(C)CO ZINC000639851193 374775157 /nfs/dbraw/zinc/77/51/57/374775157.db2.gz ZUGWVNYRNBYEDP-SYMSYNOKSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639851193 374775151 /nfs/dbraw/zinc/77/51/51/374775151.db2.gz ZUGWVNYRNBYEDP-SYMSYNOKSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[N@@H+]1CCOCC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639851194 374777426 /nfs/dbraw/zinc/77/74/26/374777426.db2.gz ZUGWVNYRNBYEDP-YHUYYLMFSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[N@H+]1CCOCC[NH+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639851194 374777417 /nfs/dbraw/zinc/77/74/17/374777417.db2.gz ZUGWVNYRNBYEDP-YHUYYLMFSA-N 2 1 332.441 -1.362 20 0 EAADMP C[C@]1(CO)C[C@H](O)C[NH+]1CCOCC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639851194 374777413 /nfs/dbraw/zinc/77/74/13/374777413.db2.gz ZUGWVNYRNBYEDP-YHUYYLMFSA-N 2 1 332.441 -1.362 20 0 EAADMP CN1CCN(C(=O)C[N@@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000640051177 374823275 /nfs/dbraw/zinc/82/32/75/374823275.db2.gz KMRZLKWWMHOGNT-CYBMUJFWSA-N 2 1 332.470 -1.026 20 0 EAADMP CN1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000640051178 374822971 /nfs/dbraw/zinc/82/29/71/374822971.db2.gz KMRZLKWWMHOGNT-ZDUSSCGKSA-N 2 1 332.470 -1.026 20 0 EAADMP CN1CCN(C(=O)CC[N@@H+](C)CC(=O)N2CCN(C)CC2)CC1 ZINC000640051743 374824150 /nfs/dbraw/zinc/82/41/50/374824150.db2.gz YKULGRYGCASOCU-UHFFFAOYSA-N 3 1 325.457 -1.144 20 0 EAADMP CN1CCN(C(=O)C[N@@H+](C)C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000640059937 374824431 /nfs/dbraw/zinc/82/44/31/374824431.db2.gz DZJHZEPDVKLBMC-AWEZNQCLSA-N 2 1 329.441 -1.015 20 0 EAADMP CN1CCN(C(=O)C[N@@H+](C)C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000640059938 374824010 /nfs/dbraw/zinc/82/40/10/374824010.db2.gz DZJHZEPDVKLBMC-CQSZACIVSA-N 2 1 329.441 -1.015 20 0 EAADMP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000641071154 374954331 /nfs/dbraw/zinc/95/43/31/374954331.db2.gz GBZIIELTOVCUKM-GFCCVEGCSA-N 2 1 345.469 -1.243 20 0 EAADMP O=C(N[C@H]1CCC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000641071155 374954204 /nfs/dbraw/zinc/95/42/04/374954204.db2.gz GBZIIELTOVCUKM-LBPRGKRZSA-N 2 1 345.469 -1.243 20 0 EAADMP COCC[N@@H+](C)C[C@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641223062 374954348 /nfs/dbraw/zinc/95/43/48/374954348.db2.gz NTAFVGIFXGZSRH-HNNXBMFYSA-N 2 1 326.445 -1.035 20 0 EAADMP COCC[N@@H+](C)C[C@@H](O)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641223091 374954226 /nfs/dbraw/zinc/95/42/26/374954226.db2.gz NTAFVGIFXGZSRH-OAHLLOKOSA-N 2 1 326.445 -1.035 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641803284 374957797 /nfs/dbraw/zinc/95/77/97/374957797.db2.gz SBGMQOIYXNLSTK-CHWSQXEVSA-N 2 1 325.457 -1.066 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641803285 374958102 /nfs/dbraw/zinc/95/81/02/374958102.db2.gz SBGMQOIYXNLSTK-OLZOCXBDSA-N 2 1 325.457 -1.066 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641803286 374958725 /nfs/dbraw/zinc/95/87/25/374958725.db2.gz SBGMQOIYXNLSTK-QWHCGFSZSA-N 2 1 325.457 -1.066 20 0 EAADMP CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641803287 374957844 /nfs/dbraw/zinc/95/78/44/374957844.db2.gz SBGMQOIYXNLSTK-STQMWFEESA-N 2 1 325.457 -1.066 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000642722538 374265063 /nfs/dbraw/zinc/26/50/63/374265063.db2.gz OHLNYHXGZKWVIG-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000642722541 374264565 /nfs/dbraw/zinc/26/45/65/374264565.db2.gz OHLNYHXGZKWVIG-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C1 ZINC000642995271 374419475 /nfs/dbraw/zinc/41/94/75/374419475.db2.gz LDZTWIAYFKTEKP-GFCCVEGCSA-N 2 1 347.410 -1.065 20 0 EAADMP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C1 ZINC000642995271 374419469 /nfs/dbraw/zinc/41/94/69/374419469.db2.gz LDZTWIAYFKTEKP-GFCCVEGCSA-N 2 1 347.410 -1.065 20 0 EAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(F)(F)CN)CC2)C1 ZINC000642995271 374419462 /nfs/dbraw/zinc/41/94/62/374419462.db2.gz LDZTWIAYFKTEKP-GFCCVEGCSA-N 2 1 347.410 -1.065 20 0 EAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C1 ZINC000642995272 374420042 /nfs/dbraw/zinc/42/00/42/374420042.db2.gz LDZTWIAYFKTEKP-LBPRGKRZSA-N 2 1 347.410 -1.065 20 0 EAADMP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C1 ZINC000642995272 374420038 /nfs/dbraw/zinc/42/00/38/374420038.db2.gz LDZTWIAYFKTEKP-LBPRGKRZSA-N 2 1 347.410 -1.065 20 0 EAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(F)(F)CN)CC2)C1 ZINC000642995272 374420031 /nfs/dbraw/zinc/42/00/31/374420031.db2.gz LDZTWIAYFKTEKP-LBPRGKRZSA-N 2 1 347.410 -1.065 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643513378 374897768 /nfs/dbraw/zinc/89/77/68/374897768.db2.gz HBGSXCIHKXKYCT-CABCVRRESA-N 2 1 335.452 -1.201 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643513379 374898658 /nfs/dbraw/zinc/89/86/58/374898658.db2.gz HBGSXCIHKXKYCT-GJZGRUSLSA-N 2 1 335.452 -1.201 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643513380 374897688 /nfs/dbraw/zinc/89/76/88/374897688.db2.gz HBGSXCIHKXKYCT-HUUCEWRRSA-N 2 1 335.452 -1.201 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643513381 374897834 /nfs/dbraw/zinc/89/78/34/374897834.db2.gz HBGSXCIHKXKYCT-LSDHHAIUSA-N 2 1 335.452 -1.201 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000643576889 374245944 /nfs/dbraw/zinc/24/59/44/374245944.db2.gz IRVRPHPRVGFOTH-CYBMUJFWSA-N 2 1 341.456 -1.997 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000643576889 374245939 /nfs/dbraw/zinc/24/59/39/374245939.db2.gz IRVRPHPRVGFOTH-CYBMUJFWSA-N 2 1 341.456 -1.997 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000643576890 374246259 /nfs/dbraw/zinc/24/62/59/374246259.db2.gz IRVRPHPRVGFOTH-ZDUSSCGKSA-N 2 1 341.456 -1.997 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000643576890 374246253 /nfs/dbraw/zinc/24/62/53/374246253.db2.gz IRVRPHPRVGFOTH-ZDUSSCGKSA-N 2 1 341.456 -1.997 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577415 374247314 /nfs/dbraw/zinc/24/73/14/374247314.db2.gz DWLAGXUQFWNGFP-CRWXNKLISA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577415 374247306 /nfs/dbraw/zinc/24/73/06/374247306.db2.gz DWLAGXUQFWNGFP-CRWXNKLISA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577416 374246981 /nfs/dbraw/zinc/24/69/81/374246981.db2.gz DWLAGXUQFWNGFP-RFQIPJPRSA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577416 374246974 /nfs/dbraw/zinc/24/69/74/374246974.db2.gz DWLAGXUQFWNGFP-RFQIPJPRSA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577417 374248541 /nfs/dbraw/zinc/24/85/41/374248541.db2.gz DWLAGXUQFWNGFP-RQJABVFESA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577417 374248534 /nfs/dbraw/zinc/24/85/34/374248534.db2.gz DWLAGXUQFWNGFP-RQJABVFESA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577418 374247236 /nfs/dbraw/zinc/24/72/36/374247236.db2.gz DWLAGXUQFWNGFP-XJFOESAGSA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC000643577418 374247227 /nfs/dbraw/zinc/24/72/27/374247227.db2.gz DWLAGXUQFWNGFP-XJFOESAGSA-N 2 1 342.440 -1.526 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577673 374248320 /nfs/dbraw/zinc/24/83/20/374248320.db2.gz OXABIJFAWLHKOC-CHWSQXEVSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577673 374248308 /nfs/dbraw/zinc/24/83/08/374248308.db2.gz OXABIJFAWLHKOC-CHWSQXEVSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577674 374248062 /nfs/dbraw/zinc/24/80/62/374248062.db2.gz OXABIJFAWLHKOC-OLZOCXBDSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577674 374248055 /nfs/dbraw/zinc/24/80/55/374248055.db2.gz OXABIJFAWLHKOC-OLZOCXBDSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577675 374247617 /nfs/dbraw/zinc/24/76/17/374247617.db2.gz OXABIJFAWLHKOC-QWHCGFSZSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577675 374247609 /nfs/dbraw/zinc/24/76/09/374247609.db2.gz OXABIJFAWLHKOC-QWHCGFSZSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577676 374247992 /nfs/dbraw/zinc/24/79/92/374247992.db2.gz OXABIJFAWLHKOC-STQMWFEESA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000643577676 374247983 /nfs/dbraw/zinc/24/79/83/374247983.db2.gz OXABIJFAWLHKOC-STQMWFEESA-N 2 1 342.440 -1.524 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644225655 414875651 /nfs/dbraw/zinc/87/56/51/414875651.db2.gz WDKQMTIDZSLDRO-QLFBSQMISA-N 2 1 346.435 -1.020 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644225656 414875528 /nfs/dbraw/zinc/87/55/28/414875528.db2.gz WDKQMTIDZSLDRO-SOUVJXGZSA-N 2 1 346.435 -1.020 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]2[NH3+])cn1 ZINC000644226631 414875917 /nfs/dbraw/zinc/87/59/17/414875917.db2.gz QUKZLECOKXVVIH-BEAPCOKYSA-N 2 1 346.435 -1.164 20 0 EAADMP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000644526849 414880813 /nfs/dbraw/zinc/88/08/13/414880813.db2.gz NMURYZDVXZFIQT-AWEZNQCLSA-N 2 1 334.486 -1.392 20 0 EAADMP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000644526849 414880808 /nfs/dbraw/zinc/88/08/08/414880808.db2.gz NMURYZDVXZFIQT-AWEZNQCLSA-N 2 1 334.486 -1.392 20 0 EAADMP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000644526854 414880488 /nfs/dbraw/zinc/88/04/88/414880488.db2.gz NMURYZDVXZFIQT-CQSZACIVSA-N 2 1 334.486 -1.392 20 0 EAADMP C[N@H+](C[C@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000644526854 414880480 /nfs/dbraw/zinc/88/04/80/414880480.db2.gz NMURYZDVXZFIQT-CQSZACIVSA-N 2 1 334.486 -1.392 20 0 EAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000645219663 414941506 /nfs/dbraw/zinc/94/15/06/414941506.db2.gz JWWPGQQURSTPIO-KBPBESRZSA-N 2 1 340.472 -1.006 20 0 EAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000645219664 414941392 /nfs/dbraw/zinc/94/13/92/414941392.db2.gz JWWPGQQURSTPIO-KGLIPLIRSA-N 2 1 340.472 -1.006 20 0 EAADMP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000645219665 414942199 /nfs/dbraw/zinc/94/21/99/414942199.db2.gz JWWPGQQURSTPIO-UONOGXRCSA-N 2 1 340.472 -1.006 20 0 EAADMP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000645219666 414942830 /nfs/dbraw/zinc/94/28/30/414942830.db2.gz JWWPGQQURSTPIO-ZIAGYGMSSA-N 2 1 340.472 -1.006 20 0 EAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000645624561 545715094 /nfs/dbraw/zinc/71/50/94/545715094.db2.gz RGYYCKVLRLNHCT-CHWSQXEVSA-N 2 1 334.424 -0.454 20 0 EAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000645624564 545715746 /nfs/dbraw/zinc/71/57/46/545715746.db2.gz RGYYCKVLRLNHCT-OLZOCXBDSA-N 2 1 334.424 -0.454 20 0 EAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000645624565 545716171 /nfs/dbraw/zinc/71/61/71/545716171.db2.gz RGYYCKVLRLNHCT-QWHCGFSZSA-N 2 1 334.424 -0.454 20 0 EAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000645624566 545715246 /nfs/dbraw/zinc/71/52/46/545715246.db2.gz RGYYCKVLRLNHCT-STQMWFEESA-N 2 1 334.424 -0.454 20 0 EAADMP O=C(CCOC1C[NH2+]C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009447 415227942 /nfs/dbraw/zinc/22/79/42/415227942.db2.gz KWBXAAIXHOAJML-AWEZNQCLSA-N 2 1 326.441 -1.112 20 0 EAADMP O=C(CCOC1C[NH2+]C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000646009448 415227010 /nfs/dbraw/zinc/22/70/10/415227010.db2.gz KWBXAAIXHOAJML-CQSZACIVSA-N 2 1 326.441 -1.112 20 0 EAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646061642 415231868 /nfs/dbraw/zinc/23/18/68/415231868.db2.gz BUROVHOGWIZCRO-AWEZNQCLSA-N 2 1 325.457 -1.050 20 0 EAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646061643 415231028 /nfs/dbraw/zinc/23/10/28/415231028.db2.gz BUROVHOGWIZCRO-CQSZACIVSA-N 2 1 325.457 -1.050 20 0 EAADMP [NH3+]Cc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)ccn1 ZINC000647092135 414833627 /nfs/dbraw/zinc/83/36/27/414833627.db2.gz DKAHNVJMJNOLTI-UHFFFAOYSA-N 2 1 339.421 -1.400 20 0 EAADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092283 414833922 /nfs/dbraw/zinc/83/39/22/414833922.db2.gz NGRLSSWEUVEEAL-LBPRGKRZSA-N 2 1 330.454 -1.036 20 0 EAADMP O=C(C[NH2+]C[C@H]1CCCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092362 414833023 /nfs/dbraw/zinc/83/30/23/414833023.db2.gz HERORXDECSTIEQ-GFCCVEGCSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092363 414834049 /nfs/dbraw/zinc/83/40/49/414834049.db2.gz HERORXDECSTIEQ-LBPRGKRZSA-N 2 1 346.453 -1.799 20 0 EAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCCN1CCCC1=O ZINC000647835107 414944526 /nfs/dbraw/zinc/94/45/26/414944526.db2.gz NIXHKVPCIGVNCK-UHFFFAOYSA-N 2 1 325.457 -1.048 20 0 EAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCCN1CCCC1=O ZINC000647835107 414944521 /nfs/dbraw/zinc/94/45/21/414944521.db2.gz NIXHKVPCIGVNCK-UHFFFAOYSA-N 2 1 325.457 -1.048 20 0 EAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000647835705 414944060 /nfs/dbraw/zinc/94/40/60/414944060.db2.gz JREVHKUZGPTBER-UHFFFAOYSA-N 2 1 337.468 -1.096 20 0 EAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000647835705 414944054 /nfs/dbraw/zinc/94/40/54/414944054.db2.gz JREVHKUZGPTBER-UHFFFAOYSA-N 2 1 337.468 -1.096 20 0 EAADMP Cn1cc(S(=O)(=O)NCC[N@@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000647835789 414944858 /nfs/dbraw/zinc/94/48/58/414944858.db2.gz OLVMNWMITNRHFI-UHFFFAOYSA-N 2 1 330.458 -1.465 20 0 EAADMP Cn1cc(S(=O)(=O)NCC[N@H+](C)CCN2CC[NH2+]CC2)cn1 ZINC000647835789 414944854 /nfs/dbraw/zinc/94/48/54/414944854.db2.gz OLVMNWMITNRHFI-UHFFFAOYSA-N 2 1 330.458 -1.465 20 0 EAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647835830 414944219 /nfs/dbraw/zinc/94/42/19/414944219.db2.gz QLWORJWUFLLOMZ-AWEZNQCLSA-N 2 1 325.457 -1.097 20 0 EAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647835830 414944215 /nfs/dbraw/zinc/94/42/15/414944215.db2.gz QLWORJWUFLLOMZ-AWEZNQCLSA-N 2 1 325.457 -1.097 20 0 EAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647835831 414945939 /nfs/dbraw/zinc/94/59/39/414945939.db2.gz QLWORJWUFLLOMZ-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000647835831 414945929 /nfs/dbraw/zinc/94/59/29/414945929.db2.gz QLWORJWUFLLOMZ-CQSZACIVSA-N 2 1 325.457 -1.097 20 0 EAADMP Cn1c2ncn(CC[N@@H+](C)CCN3CC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000647835879 414944630 /nfs/dbraw/zinc/94/46/30/414944630.db2.gz STALNPRVENHPKV-UHFFFAOYSA-N 2 1 349.439 -1.729 20 0 EAADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835903 414945432 /nfs/dbraw/zinc/94/54/32/414945432.db2.gz UKALAQXSOTXNFX-KBPBESRZSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835903 414945427 /nfs/dbraw/zinc/94/54/27/414945427.db2.gz UKALAQXSOTXNFX-KBPBESRZSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835904 414944278 /nfs/dbraw/zinc/94/42/78/414944278.db2.gz UKALAQXSOTXNFX-KGLIPLIRSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835904 414944276 /nfs/dbraw/zinc/94/42/76/414944276.db2.gz UKALAQXSOTXNFX-KGLIPLIRSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835905 414945729 /nfs/dbraw/zinc/94/57/29/414945729.db2.gz UKALAQXSOTXNFX-UONOGXRCSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835905 414945722 /nfs/dbraw/zinc/94/57/22/414945722.db2.gz UKALAQXSOTXNFX-UONOGXRCSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835906 414946054 /nfs/dbraw/zinc/94/60/54/414946054.db2.gz UKALAQXSOTXNFX-ZIAGYGMSSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835906 414946049 /nfs/dbraw/zinc/94/60/49/414946049.db2.gz UKALAQXSOTXNFX-ZIAGYGMSSA-N 2 1 325.457 -1.064 20 0 EAADMP CN(CCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000647835913 414944902 /nfs/dbraw/zinc/94/49/02/414944902.db2.gz URUHHTZQPFXANK-UHFFFAOYSA-N 2 1 349.501 -1.779 20 0 EAADMP CN(CCCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000647835913 414944895 /nfs/dbraw/zinc/94/48/95/414944895.db2.gz URUHHTZQPFXANK-UHFFFAOYSA-N 2 1 349.501 -1.779 20 0 EAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835994 414946268 /nfs/dbraw/zinc/94/62/68/414946268.db2.gz XVDJZIXNLUXXGS-HNNXBMFYSA-N 2 1 325.457 -1.050 20 0 EAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835994 414946260 /nfs/dbraw/zinc/94/62/60/414946260.db2.gz XVDJZIXNLUXXGS-HNNXBMFYSA-N 2 1 325.457 -1.050 20 0 EAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835995 414943908 /nfs/dbraw/zinc/94/39/08/414943908.db2.gz XVDJZIXNLUXXGS-OAHLLOKOSA-N 2 1 325.457 -1.050 20 0 EAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CCN2CC[NH2+]CC2)C1 ZINC000647835995 414943903 /nfs/dbraw/zinc/94/39/03/414943903.db2.gz XVDJZIXNLUXXGS-OAHLLOKOSA-N 2 1 325.457 -1.050 20 0 EAADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836022 414944504 /nfs/dbraw/zinc/94/45/04/414944504.db2.gz YYMJVQSZWTYOPT-CYBMUJFWSA-N 2 1 325.457 -1.051 20 0 EAADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836022 414944499 /nfs/dbraw/zinc/94/44/99/414944499.db2.gz YYMJVQSZWTYOPT-CYBMUJFWSA-N 2 1 325.457 -1.051 20 0 EAADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836023 414943963 /nfs/dbraw/zinc/94/39/63/414943963.db2.gz YYMJVQSZWTYOPT-ZDUSSCGKSA-N 2 1 325.457 -1.051 20 0 EAADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836023 414943958 /nfs/dbraw/zinc/94/39/58/414943958.db2.gz YYMJVQSZWTYOPT-ZDUSSCGKSA-N 2 1 325.457 -1.051 20 0 EAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000647836244 414945085 /nfs/dbraw/zinc/94/50/85/414945085.db2.gz UXFJQGPNEVLSIK-UHFFFAOYSA-N 2 1 347.467 -1.038 20 0 EAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000647836244 414945081 /nfs/dbraw/zinc/94/50/81/414945081.db2.gz UXFJQGPNEVLSIK-UHFFFAOYSA-N 2 1 347.467 -1.038 20 0 EAADMP CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000647874770 414943986 /nfs/dbraw/zinc/94/39/86/414943986.db2.gz WIJUGZUVQPUZGX-UHFFFAOYSA-N 2 1 333.458 -1.768 20 0 EAADMP Cn1c(N)c(C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000647975029 415014547 /nfs/dbraw/zinc/01/45/47/415014547.db2.gz IAPXNLCLMAFUAU-UHFFFAOYSA-N 2 1 335.408 -1.076 20 0 EAADMP [NH3+]CC1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCOCC1 ZINC000648178342 414852659 /nfs/dbraw/zinc/85/26/59/414852659.db2.gz RMLZKFWFYZMCHC-UHFFFAOYSA-N 2 1 346.453 -1.812 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000648178390 414851893 /nfs/dbraw/zinc/85/18/93/414851893.db2.gz YNYIHWDJOLCWMO-DGCLKSJQSA-N 2 1 330.454 -1.228 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000648178390 414851887 /nfs/dbraw/zinc/85/18/87/414851887.db2.gz YNYIHWDJOLCWMO-DGCLKSJQSA-N 2 1 330.454 -1.228 20 0 EAADMP CC1(OCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000649335681 415273079 /nfs/dbraw/zinc/27/30/79/415273079.db2.gz RKSHVDWFNVCOFZ-AWEZNQCLSA-N 2 1 326.441 -1.112 20 0 EAADMP CC1(OCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH2+]C1 ZINC000649335682 415273438 /nfs/dbraw/zinc/27/34/38/415273438.db2.gz RKSHVDWFNVCOFZ-CQSZACIVSA-N 2 1 326.441 -1.112 20 0 EAADMP C[NH+](C)CCN1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000649686101 415278829 /nfs/dbraw/zinc/27/88/29/415278829.db2.gz YRUFJPOBSJBHNC-UHFFFAOYSA-N 2 1 325.457 -1.144 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650824355 414853848 /nfs/dbraw/zinc/85/38/48/414853848.db2.gz LNPJTAPKKPSLLA-UHFFFAOYSA-N 2 1 329.445 -1.020 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650865669 414853979 /nfs/dbraw/zinc/85/39/79/414853979.db2.gz IYVGZOPDHHDSJX-AWEZNQCLSA-N 2 1 340.472 -1.352 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650865670 414854890 /nfs/dbraw/zinc/85/48/90/414854890.db2.gz IYVGZOPDHHDSJX-CQSZACIVSA-N 2 1 340.472 -1.352 20 0 EAADMP [NH3+]CC1(CCNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000652232096 414902689 /nfs/dbraw/zinc/90/26/89/414902689.db2.gz PZVOOYRFBUQJGL-UHFFFAOYSA-N 2 1 345.469 -1.256 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@H]1C[NH3+] ZINC000652673391 414909565 /nfs/dbraw/zinc/90/95/65/414909565.db2.gz NXBKFWOMYXMQPB-HZSPNIEDSA-N 2 1 341.456 -1.829 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1C[NH3+] ZINC000652673392 414909972 /nfs/dbraw/zinc/90/99/72/414909972.db2.gz NXBKFWOMYXMQPB-MGPQQGTHSA-N 2 1 341.456 -1.829 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)CCOC)C[C@H]1C[NH3+] ZINC000652681162 414909677 /nfs/dbraw/zinc/90/96/77/414909677.db2.gz CFXZRQOPYULQMG-CHWSQXEVSA-N 2 1 330.429 -1.497 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652681631 414909828 /nfs/dbraw/zinc/90/98/28/414909828.db2.gz PLUDISWSBUEDFE-UHFFFAOYSA-N 2 1 339.440 -1.488 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682150 414910278 /nfs/dbraw/zinc/91/02/78/414910278.db2.gz CJGNCAAMLNGWAR-AAVRWANBSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682150 414910274 /nfs/dbraw/zinc/91/02/74/414910274.db2.gz CJGNCAAMLNGWAR-AAVRWANBSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682151 414911611 /nfs/dbraw/zinc/91/16/11/414911611.db2.gz CJGNCAAMLNGWAR-REWJHTLYSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682151 414911608 /nfs/dbraw/zinc/91/16/08/414911608.db2.gz CJGNCAAMLNGWAR-REWJHTLYSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682152 414911297 /nfs/dbraw/zinc/91/12/97/414911297.db2.gz CJGNCAAMLNGWAR-RFQIPJPRSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682152 414911292 /nfs/dbraw/zinc/91/12/92/414911292.db2.gz CJGNCAAMLNGWAR-RFQIPJPRSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682153 414911825 /nfs/dbraw/zinc/91/18/25/414911825.db2.gz CJGNCAAMLNGWAR-YIYPIFLZSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH3+] ZINC000652682153 414911820 /nfs/dbraw/zinc/91/18/20/414911820.db2.gz CJGNCAAMLNGWAR-YIYPIFLZSA-N 2 1 342.440 -1.356 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000652691806 414884396 /nfs/dbraw/zinc/88/43/96/414884396.db2.gz AJDBAGIVMZFQFS-ZIAGYGMSSA-N 2 1 342.440 -1.353 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)C[C@H]1C[NH3+] ZINC000652692599 414884265 /nfs/dbraw/zinc/88/42/65/414884265.db2.gz YYRVICJNGAIOPB-HZSPNIEDSA-N 2 1 342.440 -1.355 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@H]1C[NH3+] ZINC000652692600 414882267 /nfs/dbraw/zinc/88/22/67/414882267.db2.gz YYRVICJNGAIOPB-MGPQQGTHSA-N 2 1 342.440 -1.355 20 0 EAADMP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000652695682 414894447 /nfs/dbraw/zinc/89/44/47/414894447.db2.gz YVMWNZDTCSDXEP-UHFFFAOYSA-N 2 1 341.456 -1.372 20 0 EAADMP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1CC[NH+](C)CC1 ZINC000652735981 414985450 /nfs/dbraw/zinc/98/54/50/414985450.db2.gz ZFEFHEOVUBGHNL-AWEZNQCLSA-N 2 1 325.457 -1.145 20 0 EAADMP C[C@H](C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)N1CC[NH+](C)CC1 ZINC000652735982 414982786 /nfs/dbraw/zinc/98/27/86/414982786.db2.gz ZFEFHEOVUBGHNL-CQSZACIVSA-N 2 1 325.457 -1.145 20 0 EAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119968 414836625 /nfs/dbraw/zinc/83/66/25/414836625.db2.gz BBCHVYJMNYYSAV-UXLLHSPISA-N 2 1 338.452 -1.255 20 0 EAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119969 414836053 /nfs/dbraw/zinc/83/60/53/414836053.db2.gz BBCHVYJMNYYSAV-ZOBUZTSGSA-N 2 1 338.452 -1.255 20 0 EAADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164508 414845544 /nfs/dbraw/zinc/84/55/44/414845544.db2.gz PTKVIPBOXHOHDG-WCQYABFASA-N 2 1 330.454 -1.050 20 0 EAADMP O=C([C@@H]1CCC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164555 414846329 /nfs/dbraw/zinc/84/63/29/414846329.db2.gz UKTNJMAWIGKOTB-GFCCVEGCSA-N 2 1 330.454 -1.178 20 0 EAADMP O=C([C@H]1CCC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164556 414845447 /nfs/dbraw/zinc/84/54/47/414845447.db2.gz UKTNJMAWIGKOTB-LBPRGKRZSA-N 2 1 330.454 -1.178 20 0 EAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653164785 414845917 /nfs/dbraw/zinc/84/59/17/414845917.db2.gz JBNQVKUXQIKTNT-FZMZJTMJSA-N 2 1 344.437 -2.332 20 0 EAADMP C[NH+](C)CC[C@@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164826 414845506 /nfs/dbraw/zinc/84/55/06/414845506.db2.gz LBCANQDBRYZJBR-GFCCVEGCSA-N 2 1 333.458 -2.289 20 0 EAADMP C[NH+](C)CC[C@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164827 414846599 /nfs/dbraw/zinc/84/65/99/414846599.db2.gz LBCANQDBRYZJBR-LBPRGKRZSA-N 2 1 333.458 -2.289 20 0 EAADMP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164974 414845358 /nfs/dbraw/zinc/84/53/58/414845358.db2.gz ZNKUIZWAYUADGV-KBPBESRZSA-N 2 1 342.465 -1.037 20 0 EAADMP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164975 414846138 /nfs/dbraw/zinc/84/61/38/414846138.db2.gz ZNKUIZWAYUADGV-KGLIPLIRSA-N 2 1 342.465 -1.037 20 0 EAADMP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164976 414845842 /nfs/dbraw/zinc/84/58/42/414845842.db2.gz ZNKUIZWAYUADGV-UONOGXRCSA-N 2 1 342.465 -1.037 20 0 EAADMP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000653164977 414845590 /nfs/dbraw/zinc/84/55/90/414845590.db2.gz ZNKUIZWAYUADGV-ZIAGYGMSSA-N 2 1 342.465 -1.037 20 0 EAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1=O ZINC000653382747 414992534 /nfs/dbraw/zinc/99/25/34/414992534.db2.gz UKVZAHFKVGEPMQ-UHFFFAOYSA-N 2 1 339.440 -1.571 20 0 EAADMP CCN1C(=O)[C@H]2CN(C[C@H](O)C[N@@H+](C)CCOC)CCN2C1=O ZINC000653566907 415156290 /nfs/dbraw/zinc/15/62/90/415156290.db2.gz NTLNUMIRCZVXTN-CHWSQXEVSA-N 2 1 328.413 -1.106 20 0 EAADMP CCN1C(=O)[C@@H]2CN(C[C@H](O)C[N@@H+](C)CCOC)CCN2C1=O ZINC000653566911 415156392 /nfs/dbraw/zinc/15/63/92/415156392.db2.gz NTLNUMIRCZVXTN-OLZOCXBDSA-N 2 1 328.413 -1.106 20 0 EAADMP CCN1C(=O)[C@H]2CN(C[C@@H](O)C[N@@H+](C)CCOC)CCN2C1=O ZINC000653566913 415158006 /nfs/dbraw/zinc/15/80/06/415158006.db2.gz NTLNUMIRCZVXTN-QWHCGFSZSA-N 2 1 328.413 -1.106 20 0 EAADMP CCN1C(=O)[C@@H]2CN(C[C@@H](O)C[N@@H+](C)CCOC)CCN2C1=O ZINC000653566915 415156348 /nfs/dbraw/zinc/15/63/48/415156348.db2.gz NTLNUMIRCZVXTN-STQMWFEESA-N 2 1 328.413 -1.106 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654372070 415282398 /nfs/dbraw/zinc/28/23/98/415282398.db2.gz BARBNLKTLODROX-UONOGXRCSA-N 2 1 339.440 -1.389 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654372070 415282387 /nfs/dbraw/zinc/28/23/87/415282387.db2.gz BARBNLKTLODROX-UONOGXRCSA-N 2 1 339.440 -1.389 20 0 EAADMP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655480324 414874337 /nfs/dbraw/zinc/87/43/37/414874337.db2.gz SMGLOUPZYZWKKX-DZGCQCFKSA-N 2 1 342.465 -1.178 20 0 EAADMP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655480325 414874572 /nfs/dbraw/zinc/87/45/72/414874572.db2.gz SMGLOUPZYZWKKX-HIFRSBDPSA-N 2 1 342.465 -1.178 20 0 EAADMP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655480326 414876158 /nfs/dbraw/zinc/87/61/58/414876158.db2.gz SMGLOUPZYZWKKX-UKRRQHHQSA-N 2 1 342.465 -1.178 20 0 EAADMP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000655480327 414875950 /nfs/dbraw/zinc/87/59/50/414875950.db2.gz SMGLOUPZYZWKKX-ZFWWWQNUSA-N 2 1 342.465 -1.178 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655908748 415290791 /nfs/dbraw/zinc/29/07/91/415290791.db2.gz ZWFONMHUYKTXRV-IGQOVBAYSA-N 2 1 338.408 -2.459 20 0 EAADMP O=C(CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH2+]CC1 ZINC000656019201 415292726 /nfs/dbraw/zinc/29/27/26/415292726.db2.gz CEDPHNLZINJGPE-NWDGAFQWSA-N 2 1 339.396 -3.188 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020036 415293796 /nfs/dbraw/zinc/29/37/96/415293796.db2.gz LDXFUTAJKJRBJZ-QWHCGFSZSA-N 2 1 325.413 -2.715 20 0 EAADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656020914 415292953 /nfs/dbraw/zinc/29/29/53/415292953.db2.gz WXBYKGUIFKQFEY-UONOGXRCSA-N 2 1 339.440 -2.325 20 0 EAADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022787 415292614 /nfs/dbraw/zinc/29/26/14/415292614.db2.gz LZZKWJVKYWXEFO-RVMXOQNASA-N 2 1 340.424 -1.507 20 0 EAADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022793 415293857 /nfs/dbraw/zinc/29/38/57/415293857.db2.gz LZZKWJVKYWXEFO-WUHRBBMRSA-N 2 1 340.424 -1.507 20 0 EAADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022794 415295078 /nfs/dbraw/zinc/29/50/78/415295078.db2.gz LZZKWJVKYWXEFO-XQHKEYJVSA-N 2 1 340.424 -1.507 20 0 EAADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656022795 415295393 /nfs/dbraw/zinc/29/53/93/415295393.db2.gz LZZKWJVKYWXEFO-YVECIDJPSA-N 2 1 340.424 -1.507 20 0 EAADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024487 415291713 /nfs/dbraw/zinc/29/17/13/415291713.db2.gz QQBAWYCZMDSLNW-ARILJUKYSA-N 2 1 336.436 -1.232 20 0 EAADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024488 415292479 /nfs/dbraw/zinc/29/24/79/415292479.db2.gz QQBAWYCZMDSLNW-QKGCVVFFSA-N 2 1 336.436 -1.232 20 0 EAADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024493 415291820 /nfs/dbraw/zinc/29/18/20/415291820.db2.gz QQBAWYCZMDSLNW-SBJFKYEJSA-N 2 1 336.436 -1.232 20 0 EAADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656024495 415292274 /nfs/dbraw/zinc/29/22/74/415292274.db2.gz QQBAWYCZMDSLNW-VYDRJRHOSA-N 2 1 336.436 -1.232 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CC2CC2)CC1 ZINC000656065916 668284307 /nfs/dbraw/zinc/28/43/07/668284307.db2.gz REMZIVKHQWTCBK-LSDHHAIUSA-N 2 1 336.436 -1.182 20 0 EAADMP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CC2CC2)CC1 ZINC000656065916 668284303 /nfs/dbraw/zinc/28/43/03/668284303.db2.gz REMZIVKHQWTCBK-LSDHHAIUSA-N 2 1 336.436 -1.182 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000656068302 583227136 /nfs/dbraw/zinc/22/71/36/583227136.db2.gz UKNGDCXGOQXHEO-QLFBSQMISA-N 2 1 336.436 -1.040 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000656068303 583227159 /nfs/dbraw/zinc/22/71/59/583227159.db2.gz UKNGDCXGOQXHEO-SOUVJXGZSA-N 2 1 336.436 -1.040 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069440 583227267 /nfs/dbraw/zinc/22/72/67/583227267.db2.gz BXGFZZSLVXFRMQ-UONOGXRCSA-N 2 1 342.440 -1.700 20 0 EAADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000656069472 583227000 /nfs/dbraw/zinc/22/70/00/583227000.db2.gz CXNAOSRPWNBGOF-QLFBSQMISA-N 2 1 336.436 -1.041 20 0 EAADMP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000656069472 583226997 /nfs/dbraw/zinc/22/69/97/583226997.db2.gz CXNAOSRPWNBGOF-QLFBSQMISA-N 2 1 336.436 -1.041 20 0 EAADMP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000656069472 583226991 /nfs/dbraw/zinc/22/69/91/583226991.db2.gz CXNAOSRPWNBGOF-QLFBSQMISA-N 2 1 336.436 -1.041 20 0 EAADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000656069473 583227245 /nfs/dbraw/zinc/22/72/45/583227245.db2.gz CXNAOSRPWNBGOF-SOUVJXGZSA-N 2 1 336.436 -1.041 20 0 EAADMP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000656069473 583227241 /nfs/dbraw/zinc/22/72/41/583227241.db2.gz CXNAOSRPWNBGOF-SOUVJXGZSA-N 2 1 336.436 -1.041 20 0 EAADMP CN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000656069473 583227238 /nfs/dbraw/zinc/22/72/38/583227238.db2.gz CXNAOSRPWNBGOF-SOUVJXGZSA-N 2 1 336.436 -1.041 20 0 EAADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084471 415299043 /nfs/dbraw/zinc/29/90/43/415299043.db2.gz YEDHBLNIMHSTAJ-BARDWOONSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084471 415299041 /nfs/dbraw/zinc/29/90/41/415299041.db2.gz YEDHBLNIMHSTAJ-BARDWOONSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084471 415299037 /nfs/dbraw/zinc/29/90/37/415299037.db2.gz YEDHBLNIMHSTAJ-BARDWOONSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084472 415296406 /nfs/dbraw/zinc/29/64/06/415296406.db2.gz YEDHBLNIMHSTAJ-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084472 415296399 /nfs/dbraw/zinc/29/63/99/415296399.db2.gz YEDHBLNIMHSTAJ-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084472 415296389 /nfs/dbraw/zinc/29/63/89/415296389.db2.gz YEDHBLNIMHSTAJ-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084473 415296981 /nfs/dbraw/zinc/29/69/81/415296981.db2.gz YEDHBLNIMHSTAJ-LXTVHRRPSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084473 415296978 /nfs/dbraw/zinc/29/69/78/415296978.db2.gz YEDHBLNIMHSTAJ-LXTVHRRPSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656084473 415296974 /nfs/dbraw/zinc/29/69/74/415296974.db2.gz YEDHBLNIMHSTAJ-LXTVHRRPSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084474 415298155 /nfs/dbraw/zinc/29/81/55/415298155.db2.gz YEDHBLNIMHSTAJ-XQLPTFJDSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084474 415298152 /nfs/dbraw/zinc/29/81/52/415298152.db2.gz YEDHBLNIMHSTAJ-XQLPTFJDSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@H]2C1 ZINC000656084474 415298145 /nfs/dbraw/zinc/29/81/45/415298145.db2.gz YEDHBLNIMHSTAJ-XQLPTFJDSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087256 415298425 /nfs/dbraw/zinc/29/84/25/415298425.db2.gz BDRDPDTWTMTIBE-JJRVBVJISA-N 2 1 336.436 -1.182 20 0 EAADMP C[NH+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087256 415298417 /nfs/dbraw/zinc/29/84/17/415298417.db2.gz BDRDPDTWTMTIBE-JJRVBVJISA-N 2 1 336.436 -1.182 20 0 EAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087256 415298412 /nfs/dbraw/zinc/29/84/12/415298412.db2.gz BDRDPDTWTMTIBE-JJRVBVJISA-N 2 1 336.436 -1.182 20 0 EAADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087258 415299000 /nfs/dbraw/zinc/29/90/00/415299000.db2.gz BDRDPDTWTMTIBE-VBQJREDUSA-N 2 1 336.436 -1.182 20 0 EAADMP C[NH+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087258 415298996 /nfs/dbraw/zinc/29/89/96/415298996.db2.gz BDRDPDTWTMTIBE-VBQJREDUSA-N 2 1 336.436 -1.182 20 0 EAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C2)C1 ZINC000656087258 415298991 /nfs/dbraw/zinc/29/89/91/415298991.db2.gz BDRDPDTWTMTIBE-VBQJREDUSA-N 2 1 336.436 -1.182 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000656088586 415298629 /nfs/dbraw/zinc/29/86/29/415298629.db2.gz MQDSCUOHMZFXAP-QLFBSQMISA-N 2 1 334.420 -1.264 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000656088593 415297047 /nfs/dbraw/zinc/29/70/47/415297047.db2.gz MQDSCUOHMZFXAP-SOUVJXGZSA-N 2 1 334.420 -1.264 20 0 EAADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656088943 415297564 /nfs/dbraw/zinc/29/75/64/415297564.db2.gz OWCDSQXSTZSZKV-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656088943 415297559 /nfs/dbraw/zinc/29/75/59/415297559.db2.gz OWCDSQXSTZSZKV-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)[C@@H]2C1 ZINC000656088943 415297551 /nfs/dbraw/zinc/29/75/51/415297551.db2.gz OWCDSQXSTZSZKV-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101987 415298870 /nfs/dbraw/zinc/29/88/70/415298870.db2.gz AJWPDEIXPZYNNG-RVMXOQNASA-N 2 1 326.397 -2.162 20 0 EAADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101988 415298927 /nfs/dbraw/zinc/29/89/27/415298927.db2.gz AJWPDEIXPZYNNG-WUHRBBMRSA-N 2 1 326.397 -2.162 20 0 EAADMP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101989 415298355 /nfs/dbraw/zinc/29/83/55/415298355.db2.gz AJWPDEIXPZYNNG-XQHKEYJVSA-N 2 1 326.397 -2.162 20 0 EAADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000656101990 415296248 /nfs/dbraw/zinc/29/62/48/415296248.db2.gz AJWPDEIXPZYNNG-YVECIDJPSA-N 2 1 326.397 -2.162 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000656102454 415296126 /nfs/dbraw/zinc/29/61/26/415296126.db2.gz KVBDBSQBEVRXBD-RWMBFGLXSA-N 2 1 325.413 -2.635 20 0 EAADMP CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000656102455 415298503 /nfs/dbraw/zinc/29/85/03/415298503.db2.gz KVBDBSQBEVRXBD-YNEHKIRRSA-N 2 1 325.413 -2.635 20 0 EAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH3+] ZINC000656104201 415298469 /nfs/dbraw/zinc/29/84/69/415298469.db2.gz KCVIKJHYOPJNFV-XJFOESAGSA-N 2 1 340.424 -1.914 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000656104253 415299104 /nfs/dbraw/zinc/29/91/04/415299104.db2.gz LROXOZQIHICOEK-UONOGXRCSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104673 415301559 /nfs/dbraw/zinc/30/15/59/415301559.db2.gz ULXQBNWOEBHHEC-JJRVBVJISA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104674 415299809 /nfs/dbraw/zinc/29/98/09/415299809.db2.gz ULXQBNWOEBHHEC-VBQJREDUSA-N 2 1 336.436 -1.134 20 0 EAADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656104781 415302205 /nfs/dbraw/zinc/30/22/05/415302205.db2.gz VIFNHJIOWJBTNL-QKGCVVFFSA-N 2 1 336.436 -1.150 20 0 EAADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C[C@@H]21 ZINC000656104785 415302015 /nfs/dbraw/zinc/30/20/15/415302015.db2.gz VIFNHJIOWJBTNL-SBJFKYEJSA-N 2 1 336.436 -1.150 20 0 EAADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C[C@H]21 ZINC000656104787 415303620 /nfs/dbraw/zinc/30/36/20/415303620.db2.gz VIFNHJIOWJBTNL-VQJWOFKYSA-N 2 1 336.436 -1.150 20 0 EAADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C[C@H]21 ZINC000656104789 415302093 /nfs/dbraw/zinc/30/20/93/415302093.db2.gz VIFNHJIOWJBTNL-XLWJZTARSA-N 2 1 336.436 -1.150 20 0 EAADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296502 415300387 /nfs/dbraw/zinc/30/03/87/415300387.db2.gz VFVYFZJJNYQGSZ-UONOGXRCSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296502 415300376 /nfs/dbraw/zinc/30/03/76/415300376.db2.gz VFVYFZJJNYQGSZ-UONOGXRCSA-N 2 1 335.408 -1.025 20 0 EAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656297646 415303505 /nfs/dbraw/zinc/30/35/05/415303505.db2.gz HBWPDYBXDDYGAT-AEGPPILISA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656297646 415303497 /nfs/dbraw/zinc/30/34/97/415303497.db2.gz HBWPDYBXDDYGAT-AEGPPILISA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297646 415303488 /nfs/dbraw/zinc/30/34/88/415303488.db2.gz HBWPDYBXDDYGAT-AEGPPILISA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656297647 415302186 /nfs/dbraw/zinc/30/21/86/415302186.db2.gz HBWPDYBXDDYGAT-VHDGCEQUSA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656297647 415302182 /nfs/dbraw/zinc/30/21/82/415302182.db2.gz HBWPDYBXDDYGAT-VHDGCEQUSA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656297647 415302175 /nfs/dbraw/zinc/30/21/75/415302175.db2.gz HBWPDYBXDDYGAT-VHDGCEQUSA-N 2 1 336.436 -1.136 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299283 415299870 /nfs/dbraw/zinc/29/98/70/415299870.db2.gz ZXXAVNQFFWIRJL-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299283 415299866 /nfs/dbraw/zinc/29/98/66/415299866.db2.gz ZXXAVNQFFWIRJL-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656299283 415299860 /nfs/dbraw/zinc/29/98/60/415299860.db2.gz ZXXAVNQFFWIRJL-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308092 415302768 /nfs/dbraw/zinc/30/27/68/415302768.db2.gz XCDZCBXIBAECHD-QWHCGFSZSA-N 2 1 328.413 -2.042 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308092 415302759 /nfs/dbraw/zinc/30/27/59/415302759.db2.gz XCDZCBXIBAECHD-QWHCGFSZSA-N 2 1 328.413 -2.042 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308092 415302753 /nfs/dbraw/zinc/30/27/53/415302753.db2.gz XCDZCBXIBAECHD-QWHCGFSZSA-N 2 1 328.413 -2.042 20 0 EAADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656311887 415302963 /nfs/dbraw/zinc/30/29/63/415302963.db2.gz PQUSMSKCJLNJNV-QLFBSQMISA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656311887 415302954 /nfs/dbraw/zinc/30/29/54/415302954.db2.gz PQUSMSKCJLNJNV-QLFBSQMISA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656311887 415302948 /nfs/dbraw/zinc/30/29/48/415302948.db2.gz PQUSMSKCJLNJNV-QLFBSQMISA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656311888 415303090 /nfs/dbraw/zinc/30/30/90/415303090.db2.gz PQUSMSKCJLNJNV-SOUVJXGZSA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656311888 415303082 /nfs/dbraw/zinc/30/30/82/415303082.db2.gz PQUSMSKCJLNJNV-SOUVJXGZSA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656311888 415303075 /nfs/dbraw/zinc/30/30/75/415303075.db2.gz PQUSMSKCJLNJNV-SOUVJXGZSA-N 2 1 336.436 -1.136 20 0 EAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312320 415302444 /nfs/dbraw/zinc/30/24/44/415302444.db2.gz UIXGVIAZGKWDKV-HZSPNIEDSA-N 2 1 340.424 -1.899 20 0 EAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312320 415302436 /nfs/dbraw/zinc/30/24/36/415302436.db2.gz UIXGVIAZGKWDKV-HZSPNIEDSA-N 2 1 340.424 -1.899 20 0 EAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312320 415302431 /nfs/dbraw/zinc/30/24/31/415302431.db2.gz UIXGVIAZGKWDKV-HZSPNIEDSA-N 2 1 340.424 -1.899 20 0 EAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312321 415300588 /nfs/dbraw/zinc/30/05/88/415300588.db2.gz UIXGVIAZGKWDKV-MELADBBJSA-N 2 1 340.424 -1.899 20 0 EAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312321 415300581 /nfs/dbraw/zinc/30/05/81/415300581.db2.gz UIXGVIAZGKWDKV-MELADBBJSA-N 2 1 340.424 -1.899 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656312321 415300574 /nfs/dbraw/zinc/30/05/74/415300574.db2.gz UIXGVIAZGKWDKV-MELADBBJSA-N 2 1 340.424 -1.899 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656320768 415299628 /nfs/dbraw/zinc/29/96/28/415299628.db2.gz UKFLRIIXVAUTFG-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656320768 415299618 /nfs/dbraw/zinc/29/96/18/415299618.db2.gz UKFLRIIXVAUTFG-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656320768 415299613 /nfs/dbraw/zinc/29/96/13/415299613.db2.gz UKFLRIIXVAUTFG-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656325465 415303945 /nfs/dbraw/zinc/30/39/45/415303945.db2.gz SBWIRBNHEMYTRR-QWHCGFSZSA-N 2 1 328.413 -2.042 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334604 415299435 /nfs/dbraw/zinc/29/94/35/415299435.db2.gz QUPBNVWHRZBUCV-BEAPCOKYSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334604 415299428 /nfs/dbraw/zinc/29/94/28/415299428.db2.gz QUPBNVWHRZBUCV-BEAPCOKYSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334604 415299421 /nfs/dbraw/zinc/29/94/21/415299421.db2.gz QUPBNVWHRZBUCV-BEAPCOKYSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334605 415303272 /nfs/dbraw/zinc/30/32/72/415303272.db2.gz QUPBNVWHRZBUCV-FAAHXZRKSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334605 415303263 /nfs/dbraw/zinc/30/32/63/415303263.db2.gz QUPBNVWHRZBUCV-FAAHXZRKSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334605 415303247 /nfs/dbraw/zinc/30/32/47/415303247.db2.gz QUPBNVWHRZBUCV-FAAHXZRKSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334606 415301230 /nfs/dbraw/zinc/30/12/30/415301230.db2.gz QUPBNVWHRZBUCV-MHEUCROKSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334606 415301224 /nfs/dbraw/zinc/30/12/24/415301224.db2.gz QUPBNVWHRZBUCV-MHEUCROKSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334606 415301216 /nfs/dbraw/zinc/30/12/16/415301216.db2.gz QUPBNVWHRZBUCV-MHEUCROKSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334608 415301702 /nfs/dbraw/zinc/30/17/02/415301702.db2.gz QUPBNVWHRZBUCV-SPWCGHHHSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656334608 415301691 /nfs/dbraw/zinc/30/16/91/415301691.db2.gz QUPBNVWHRZBUCV-SPWCGHHHSA-N 2 1 336.436 -1.137 20 0 EAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656334608 415301681 /nfs/dbraw/zinc/30/16/81/415301681.db2.gz QUPBNVWHRZBUCV-SPWCGHHHSA-N 2 1 336.436 -1.137 20 0 EAADMP CN(C)S(=O)(=O)N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000656791322 415305734 /nfs/dbraw/zinc/30/57/34/415305734.db2.gz XOSBWCYPARKXTH-CYBMUJFWSA-N 2 1 347.485 -1.392 20 0 EAADMP CN(C)S(=O)(=O)N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000656791323 415307383 /nfs/dbraw/zinc/30/73/83/415307383.db2.gz XOSBWCYPARKXTH-ZDUSSCGKSA-N 2 1 347.485 -1.392 20 0 EAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]21 ZINC000656792768 415305879 /nfs/dbraw/zinc/30/58/79/415305879.db2.gz XGYOGVODRLXFRR-FQUUOJAGSA-N 2 1 345.465 -1.073 20 0 EAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C[C@H]21 ZINC000656792780 415305078 /nfs/dbraw/zinc/30/50/78/415305078.db2.gz XGYOGVODRLXFRR-RQJABVFESA-N 2 1 345.465 -1.073 20 0 EAADMP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000658529738 415247982 /nfs/dbraw/zinc/24/79/82/415247982.db2.gz KQWJFBSPDOCVJF-UHFFFAOYSA-N 2 1 326.441 -1.079 20 0 EAADMP [NH3+]C1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCCC1 ZINC000659575546 415330112 /nfs/dbraw/zinc/33/01/12/415330112.db2.gz PPIGWRYVECRULX-UHFFFAOYSA-N 2 1 345.469 -1.113 20 0 EAADMP O=C(NCC12CC(C1)C[NH2+]2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659610842 415327758 /nfs/dbraw/zinc/32/77/58/415327758.db2.gz JUXRMOVOBSKNDA-UHFFFAOYSA-N 2 1 343.453 -1.633 20 0 EAADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000659619270 415328233 /nfs/dbraw/zinc/32/82/33/415328233.db2.gz MXWZYWLGOCNZAQ-CYBMUJFWSA-N 2 1 347.485 -1.011 20 0 EAADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C[NH3+])C1 ZINC000659683016 415332765 /nfs/dbraw/zinc/33/27/65/415332765.db2.gz RIEJUHISULZKDU-HZSPNIEDSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C[NH3+])C1 ZINC000659683017 415331214 /nfs/dbraw/zinc/33/12/14/415331214.db2.gz RIEJUHISULZKDU-RDBSUJKOSA-N 2 1 325.457 -1.066 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659683388 415331275 /nfs/dbraw/zinc/33/12/75/415331275.db2.gz XPRBSHHFWHAZIV-CHWSQXEVSA-N 2 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659683388 415331272 /nfs/dbraw/zinc/33/12/72/415331272.db2.gz XPRBSHHFWHAZIV-CHWSQXEVSA-N 3 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659683389 415331904 /nfs/dbraw/zinc/33/19/04/415331904.db2.gz XPRBSHHFWHAZIV-OLZOCXBDSA-N 2 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659683389 415331895 /nfs/dbraw/zinc/33/18/95/415331895.db2.gz XPRBSHHFWHAZIV-OLZOCXBDSA-N 3 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659683390 415331826 /nfs/dbraw/zinc/33/18/26/415331826.db2.gz XPRBSHHFWHAZIV-QWHCGFSZSA-N 2 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659683390 415331816 /nfs/dbraw/zinc/33/18/16/415331816.db2.gz XPRBSHHFWHAZIV-QWHCGFSZSA-N 3 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659683391 415332853 /nfs/dbraw/zinc/33/28/53/415332853.db2.gz XPRBSHHFWHAZIV-STQMWFEESA-N 2 1 325.457 -1.005 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659683391 415332849 /nfs/dbraw/zinc/33/28/49/415332849.db2.gz XPRBSHHFWHAZIV-STQMWFEESA-N 3 1 325.457 -1.005 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000659692796 415135199 /nfs/dbraw/zinc/13/51/99/415135199.db2.gz XOUNLWOWIKHOHR-JHJVBQTASA-N 2 1 330.404 -1.031 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000659692797 415133972 /nfs/dbraw/zinc/13/39/72/415133972.db2.gz XOUNLWOWIKHOHR-YNEHKIRRSA-N 2 1 330.404 -1.031 20 0 EAADMP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659694073 415334131 /nfs/dbraw/zinc/33/41/31/415334131.db2.gz DPZWSEPPXZNRJG-CYBMUJFWSA-N 2 1 341.456 -1.244 20 0 EAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000659694672 415334947 /nfs/dbraw/zinc/33/49/47/415334947.db2.gz LTBRNFZQBAUMNO-UHFFFAOYSA-N 2 1 327.429 -1.538 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659694770 415334305 /nfs/dbraw/zinc/33/43/05/415334305.db2.gz PEKOVPUSEURIKN-UHFFFAOYSA-N 2 1 339.440 -1.346 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659695340 415334844 /nfs/dbraw/zinc/33/48/44/415334844.db2.gz VAZDQNWXHAFGNV-UHFFFAOYSA-N 2 1 337.424 -1.865 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000659697129 415336717 /nfs/dbraw/zinc/33/67/17/415336717.db2.gz SYHKFTXFKSZIGY-NEPJUHHUSA-N 2 1 327.429 -1.586 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659697133 415336837 /nfs/dbraw/zinc/33/68/37/415336837.db2.gz SYHKFTXFKSZIGY-NWDGAFQWSA-N 2 1 327.429 -1.586 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000659697137 415334409 /nfs/dbraw/zinc/33/44/09/415334409.db2.gz SYHKFTXFKSZIGY-RYUDHWBXSA-N 2 1 327.429 -1.586 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659697140 415335577 /nfs/dbraw/zinc/33/55/77/415335577.db2.gz SYHKFTXFKSZIGY-VXGBXAGGSA-N 2 1 327.429 -1.586 20 0 EAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000659697240 415140315 /nfs/dbraw/zinc/14/03/15/415140315.db2.gz VIBCXMSRZWVUEL-GFCCVEGCSA-N 2 1 341.456 -1.114 20 0 EAADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000659697242 415139616 /nfs/dbraw/zinc/13/96/16/415139616.db2.gz VIBCXMSRZWVUEL-LBPRGKRZSA-N 2 1 341.456 -1.114 20 0 EAADMP CC[N@@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CC1 ZINC000659698201 415335901 /nfs/dbraw/zinc/33/59/01/415335901.db2.gz ATWOXVAFUZZEMN-UHFFFAOYSA-N 2 1 336.396 -1.142 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659700940 415336677 /nfs/dbraw/zinc/33/66/77/415336677.db2.gz BSCJWMJQIMONKO-GFCCVEGCSA-N 2 1 341.456 -1.183 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659700941 415336126 /nfs/dbraw/zinc/33/61/26/415336126.db2.gz BSCJWMJQIMONKO-LBPRGKRZSA-N 2 1 341.456 -1.183 20 0 EAADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715140 415152453 /nfs/dbraw/zinc/15/24/53/415152453.db2.gz OIVSTVIXJUJLDU-GFCCVEGCSA-N 2 1 339.440 -1.477 20 0 EAADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000659715141 415151500 /nfs/dbraw/zinc/15/15/00/415151500.db2.gz OIVSTVIXJUJLDU-LBPRGKRZSA-N 2 1 339.440 -1.477 20 0 EAADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747400 415343654 /nfs/dbraw/zinc/34/36/54/415343654.db2.gz DKFBQRBXOPCRSS-LLVKDONJSA-N 2 1 336.396 -1.142 20 0 EAADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747548 415343676 /nfs/dbraw/zinc/34/36/76/415343676.db2.gz DKFBQRBXOPCRSS-NSHDSACASA-N 2 1 336.396 -1.142 20 0 EAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)n1 ZINC000659747861 415341419 /nfs/dbraw/zinc/34/14/19/415341419.db2.gz KXPBLVRAKZGYOP-UHFFFAOYSA-N 2 1 348.407 -1.046 20 0 EAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)n1 ZINC000659748267 415343697 /nfs/dbraw/zinc/34/36/97/415343697.db2.gz RLFMQBDGPDMWAC-UHFFFAOYSA-N 2 1 348.407 -1.189 20 0 EAADMP CC[N@H+]1CCCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659749103 415342842 /nfs/dbraw/zinc/34/28/42/415342842.db2.gz RXJUFKQIECQHGQ-UHFFFAOYSA-N 2 1 336.396 -1.189 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000659750422 415343101 /nfs/dbraw/zinc/34/31/01/415343101.db2.gz OHIGJWYBZYCMJR-CHWSQXEVSA-N 2 1 339.440 -1.525 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000659750425 415343724 /nfs/dbraw/zinc/34/37/24/415343724.db2.gz OHIGJWYBZYCMJR-OLZOCXBDSA-N 2 1 339.440 -1.525 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000659750427 415342922 /nfs/dbraw/zinc/34/29/22/415342922.db2.gz OHIGJWYBZYCMJR-QWHCGFSZSA-N 2 1 339.440 -1.525 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000659750430 415343484 /nfs/dbraw/zinc/34/34/84/415343484.db2.gz OHIGJWYBZYCMJR-STQMWFEESA-N 2 1 339.440 -1.525 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000659753635 415343278 /nfs/dbraw/zinc/34/32/78/415343278.db2.gz QVFYFIQPBIJQJX-GFCCVEGCSA-N 2 1 327.429 -1.667 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000659753638 415342951 /nfs/dbraw/zinc/34/29/51/415342951.db2.gz QVFYFIQPBIJQJX-LBPRGKRZSA-N 2 1 327.429 -1.667 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659755520 415160605 /nfs/dbraw/zinc/16/06/05/415160605.db2.gz YNBHBFMYPNKZPK-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000659755524 415161586 /nfs/dbraw/zinc/16/15/86/415161586.db2.gz YNBHBFMYPNKZPK-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659755529 415160687 /nfs/dbraw/zinc/16/06/87/415160687.db2.gz YNBHBFMYPNKZPK-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000659755534 415162837 /nfs/dbraw/zinc/16/28/37/415162837.db2.gz YNBHBFMYPNKZPK-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC000662317332 415352470 /nfs/dbraw/zinc/35/24/70/415352470.db2.gz WRWYBHCYWCUHTM-XQQFMLRXSA-N 2 1 331.438 -1.448 20 0 EAADMP CC(C)OC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662578234 415351299 /nfs/dbraw/zinc/35/12/99/415351299.db2.gz RMGVMGAAYGIDJE-LBPRGKRZSA-N 2 1 334.442 -1.816 20 0 EAADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816038 415356949 /nfs/dbraw/zinc/35/69/49/415356949.db2.gz KSGWPZWAKJLQCH-NEPJUHHUSA-N 2 1 332.426 -2.204 20 0 EAADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816039 415355377 /nfs/dbraw/zinc/35/53/77/415355377.db2.gz KSGWPZWAKJLQCH-NWDGAFQWSA-N 2 1 332.426 -2.204 20 0 EAADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816040 415354020 /nfs/dbraw/zinc/35/40/20/415354020.db2.gz KSGWPZWAKJLQCH-RYUDHWBXSA-N 2 1 332.426 -2.204 20 0 EAADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816042 415355023 /nfs/dbraw/zinc/35/50/23/415355023.db2.gz KSGWPZWAKJLQCH-VXGBXAGGSA-N 2 1 332.426 -2.204 20 0 EAADMP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816111 415354151 /nfs/dbraw/zinc/35/41/51/415354151.db2.gz MQLOTFIRILYQBQ-GFCCVEGCSA-N 2 1 330.454 -1.180 20 0 EAADMP CC1(C)CC[NH2+][C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816114 415354960 /nfs/dbraw/zinc/35/49/60/415354960.db2.gz MQLOTFIRILYQBQ-LBPRGKRZSA-N 2 1 330.454 -1.180 20 0 EAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662934437 415358490 /nfs/dbraw/zinc/35/84/90/415358490.db2.gz VEVAAOSQZTYULH-ZIAGYGMSSA-N 2 1 343.447 -1.020 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662938449 414839223 /nfs/dbraw/zinc/83/92/23/414839223.db2.gz GOGMOKQTCGCGTL-UHFFFAOYSA-N 2 1 341.456 -1.195 20 0 EAADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662938870 415358534 /nfs/dbraw/zinc/35/85/34/415358534.db2.gz JFKGBFUMQRFNLH-UHFFFAOYSA-N 2 1 327.429 -1.584 20 0 EAADMP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000662940788 415358476 /nfs/dbraw/zinc/35/84/76/415358476.db2.gz PTHMYOKVKXOVFG-CYBMUJFWSA-N 2 1 339.440 -1.441 20 0 EAADMP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000662940789 415357735 /nfs/dbraw/zinc/35/77/35/415357735.db2.gz PTHMYOKVKXOVFG-ZDUSSCGKSA-N 2 1 339.440 -1.441 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663664977 415364200 /nfs/dbraw/zinc/36/42/00/415364200.db2.gz XKYGCCSRKJIMQS-STQMWFEESA-N 2 1 327.429 -1.487 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664061804 415366573 /nfs/dbraw/zinc/36/65/73/415366573.db2.gz DLCVZNLRIVJVIW-KBPBESRZSA-N 2 1 341.456 -1.145 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000664082552 415367900 /nfs/dbraw/zinc/36/79/00/415367900.db2.gz HWQKWWJOKKVUKR-AWEZNQCLSA-N 2 1 342.488 -1.106 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000664082553 415368421 /nfs/dbraw/zinc/36/84/21/415368421.db2.gz HWQKWWJOKKVUKR-CQSZACIVSA-N 2 1 342.488 -1.106 20 0 EAADMP C[NH+](C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1O ZINC000664173816 415368762 /nfs/dbraw/zinc/36/87/62/415368762.db2.gz HERBQIMJZCSDHS-IHRRRGAJSA-N 2 1 341.456 -1.110 20 0 EAADMP C[NH+](C)[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H]1O ZINC000664173817 415368659 /nfs/dbraw/zinc/36/86/59/415368659.db2.gz HERBQIMJZCSDHS-RDBSUJKOSA-N 2 1 341.456 -1.110 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CCNC(=O)C1 ZINC000664623838 415366964 /nfs/dbraw/zinc/36/69/64/415366964.db2.gz CJBWFWSZJREXEE-AWEZNQCLSA-N 2 1 342.488 -1.011 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCCN1CCNC(=O)C1 ZINC000664623838 415366959 /nfs/dbraw/zinc/36/69/59/415366959.db2.gz CJBWFWSZJREXEE-AWEZNQCLSA-N 2 1 342.488 -1.011 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000668751609 545660357 /nfs/dbraw/zinc/66/03/57/545660357.db2.gz XHVJYDGYRBBMGR-AWEZNQCLSA-N 2 1 342.440 -1.386 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000668751615 545660940 /nfs/dbraw/zinc/66/09/40/545660940.db2.gz XHVJYDGYRBBMGR-CQSZACIVSA-N 2 1 342.440 -1.386 20 0 EAADMP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000668893575 545665118 /nfs/dbraw/zinc/66/51/18/545665118.db2.gz QGRYNGAWICPVPS-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000668893575 545665113 /nfs/dbraw/zinc/66/51/13/545665113.db2.gz QGRYNGAWICPVPS-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000668893575 545665098 /nfs/dbraw/zinc/66/50/98/545665098.db2.gz QGRYNGAWICPVPS-KBPBESRZSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000668893578 545665624 /nfs/dbraw/zinc/66/56/24/545665624.db2.gz QGRYNGAWICPVPS-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000668893578 545665621 /nfs/dbraw/zinc/66/56/21/545665621.db2.gz QGRYNGAWICPVPS-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000668893578 545665615 /nfs/dbraw/zinc/66/56/15/545665615.db2.gz QGRYNGAWICPVPS-KGLIPLIRSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000668893580 545665338 /nfs/dbraw/zinc/66/53/38/545665338.db2.gz QGRYNGAWICPVPS-UONOGXRCSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](C)C1 ZINC000668893580 545665331 /nfs/dbraw/zinc/66/53/31/545665331.db2.gz QGRYNGAWICPVPS-UONOGXRCSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C)C1 ZINC000668893580 545665324 /nfs/dbraw/zinc/66/53/24/545665324.db2.gz QGRYNGAWICPVPS-UONOGXRCSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000668893581 545665499 /nfs/dbraw/zinc/66/54/99/545665499.db2.gz QGRYNGAWICPVPS-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](C)C1 ZINC000668893581 545665494 /nfs/dbraw/zinc/66/54/94/545665494.db2.gz QGRYNGAWICPVPS-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C)C1 ZINC000668893581 545665492 /nfs/dbraw/zinc/66/54/92/545665492.db2.gz QGRYNGAWICPVPS-ZIAGYGMSSA-N 2 1 325.457 -1.099 20 0 EAADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000668894117 545665008 /nfs/dbraw/zinc/66/50/08/545665008.db2.gz VPXDAYRQLXLYGO-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000668894117 545665003 /nfs/dbraw/zinc/66/50/03/545665003.db2.gz VPXDAYRQLXLYGO-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000668894117 545664998 /nfs/dbraw/zinc/66/49/98/545664998.db2.gz VPXDAYRQLXLYGO-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000668894118 545664811 /nfs/dbraw/zinc/66/48/11/545664811.db2.gz VPXDAYRQLXLYGO-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000668894118 545664808 /nfs/dbraw/zinc/66/48/08/545664808.db2.gz VPXDAYRQLXLYGO-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000668894118 545664805 /nfs/dbraw/zinc/66/48/05/545664805.db2.gz VPXDAYRQLXLYGO-KGLIPLIRSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000668894119 545665251 /nfs/dbraw/zinc/66/52/51/545665251.db2.gz VPXDAYRQLXLYGO-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000668894119 545665247 /nfs/dbraw/zinc/66/52/47/545665247.db2.gz VPXDAYRQLXLYGO-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000668894119 545665244 /nfs/dbraw/zinc/66/52/44/545665244.db2.gz VPXDAYRQLXLYGO-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000668894120 545665674 /nfs/dbraw/zinc/66/56/74/545665674.db2.gz VPXDAYRQLXLYGO-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000668894120 545665670 /nfs/dbraw/zinc/66/56/70/545665670.db2.gz VPXDAYRQLXLYGO-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000668894120 545665667 /nfs/dbraw/zinc/66/56/67/545665667.db2.gz VPXDAYRQLXLYGO-ZIAGYGMSSA-N 2 1 325.457 -1.051 20 0 EAADMP C[N@H+]1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403276 545677168 /nfs/dbraw/zinc/67/71/68/545677168.db2.gz QZNATCHQFQLWML-GFCCVEGCSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@@H+]1CCC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403276 545677162 /nfs/dbraw/zinc/67/71/62/545677162.db2.gz QZNATCHQFQLWML-GFCCVEGCSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@H+]1CCC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403277 545676769 /nfs/dbraw/zinc/67/67/69/545676769.db2.gz QZNATCHQFQLWML-LBPRGKRZSA-N 2 1 345.469 -1.291 20 0 EAADMP C[N@@H+]1CCC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403277 545676761 /nfs/dbraw/zinc/67/67/61/545676761.db2.gz QZNATCHQFQLWML-LBPRGKRZSA-N 2 1 345.469 -1.291 20 0 EAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000670407639 545706432 /nfs/dbraw/zinc/70/64/32/545706432.db2.gz WHPZVVJKSNOXOR-CABCVRRESA-N 2 1 337.468 -1.097 20 0 EAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000670407640 545707011 /nfs/dbraw/zinc/70/70/11/545707011.db2.gz WHPZVVJKSNOXOR-GJZGRUSLSA-N 2 1 337.468 -1.097 20 0 EAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000670407641 545706778 /nfs/dbraw/zinc/70/67/78/545706778.db2.gz WHPZVVJKSNOXOR-HUUCEWRRSA-N 2 1 337.468 -1.097 20 0 EAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1=O ZINC000670407642 545707058 /nfs/dbraw/zinc/70/70/58/545707058.db2.gz WHPZVVJKSNOXOR-LSDHHAIUSA-N 2 1 337.468 -1.097 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000670479773 545709899 /nfs/dbraw/zinc/70/98/99/545709899.db2.gz QTXDBCJZMNDXLQ-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000670479774 545709780 /nfs/dbraw/zinc/70/97/80/545709780.db2.gz QTXDBCJZMNDXLQ-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)[C@H]1CN(C)CCO1 ZINC000670479775 545709403 /nfs/dbraw/zinc/70/94/03/545709403.db2.gz QTXDBCJZMNDXLQ-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)[C@H]1CN(C)CCO1 ZINC000670479776 545709562 /nfs/dbraw/zinc/70/95/62/545709562.db2.gz QTXDBCJZMNDXLQ-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671134652 545692251 /nfs/dbraw/zinc/69/22/51/545692251.db2.gz HDTGYSWGEFPHHY-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671134652 545692248 /nfs/dbraw/zinc/69/22/48/545692248.db2.gz HDTGYSWGEFPHHY-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671134652 545692243 /nfs/dbraw/zinc/69/22/43/545692243.db2.gz HDTGYSWGEFPHHY-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671134652 545692236 /nfs/dbraw/zinc/69/22/36/545692236.db2.gz HDTGYSWGEFPHHY-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000671134655 545691929 /nfs/dbraw/zinc/69/19/29/545691929.db2.gz HDTGYSWGEFPHHY-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000671134655 545691927 /nfs/dbraw/zinc/69/19/27/545691927.db2.gz HDTGYSWGEFPHHY-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671134655 545691925 /nfs/dbraw/zinc/69/19/25/545691925.db2.gz HDTGYSWGEFPHHY-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000671134655 545691922 /nfs/dbraw/zinc/69/19/22/545691922.db2.gz HDTGYSWGEFPHHY-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671134658 545691585 /nfs/dbraw/zinc/69/15/85/545691585.db2.gz HDTGYSWGEFPHHY-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671134658 545691583 /nfs/dbraw/zinc/69/15/83/545691583.db2.gz HDTGYSWGEFPHHY-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671134658 545691577 /nfs/dbraw/zinc/69/15/77/545691577.db2.gz HDTGYSWGEFPHHY-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671134658 545691559 /nfs/dbraw/zinc/69/15/59/545691559.db2.gz HDTGYSWGEFPHHY-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671134659 545692201 /nfs/dbraw/zinc/69/22/01/545692201.db2.gz HDTGYSWGEFPHHY-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[NH+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000671134659 545692195 /nfs/dbraw/zinc/69/21/95/545692195.db2.gz HDTGYSWGEFPHHY-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671134659 545692190 /nfs/dbraw/zinc/69/21/90/545692190.db2.gz HDTGYSWGEFPHHY-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000671134659 545692186 /nfs/dbraw/zinc/69/21/86/545692186.db2.gz HDTGYSWGEFPHHY-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672307631 545729641 /nfs/dbraw/zinc/72/96/41/545729641.db2.gz HEYJONJXQZCRHP-CABCVRRESA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672307631 545729635 /nfs/dbraw/zinc/72/96/35/545729635.db2.gz HEYJONJXQZCRHP-CABCVRRESA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672307632 545729711 /nfs/dbraw/zinc/72/97/11/545729711.db2.gz HEYJONJXQZCRHP-GJZGRUSLSA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672307632 545729704 /nfs/dbraw/zinc/72/97/04/545729704.db2.gz HEYJONJXQZCRHP-GJZGRUSLSA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672307633 545729852 /nfs/dbraw/zinc/72/98/52/545729852.db2.gz HEYJONJXQZCRHP-HUUCEWRRSA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672307633 545729848 /nfs/dbraw/zinc/72/98/48/545729848.db2.gz HEYJONJXQZCRHP-HUUCEWRRSA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672307634 545729317 /nfs/dbraw/zinc/72/93/17/545729317.db2.gz HEYJONJXQZCRHP-LSDHHAIUSA-N 2 1 337.468 -1.051 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672307634 545729311 /nfs/dbraw/zinc/72/93/11/545729311.db2.gz HEYJONJXQZCRHP-LSDHHAIUSA-N 2 1 337.468 -1.051 20 0 EAADMP COCCN1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)C1 ZINC000672358624 545730339 /nfs/dbraw/zinc/73/03/39/545730339.db2.gz PUSPITARIYPPIO-HZSPNIEDSA-N 2 1 342.440 -1.341 20 0 EAADMP COCCN1CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)C1 ZINC000672358625 545730209 /nfs/dbraw/zinc/73/02/09/545730209.db2.gz PUSPITARIYPPIO-IHRRRGAJSA-N 2 1 342.440 -1.341 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673148985 545695191 /nfs/dbraw/zinc/69/51/91/545695191.db2.gz BAHJASQSKIARSG-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000673148985 545695186 /nfs/dbraw/zinc/69/51/86/545695186.db2.gz BAHJASQSKIARSG-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000673148985 545695179 /nfs/dbraw/zinc/69/51/79/545695179.db2.gz BAHJASQSKIARSG-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000673148985 545695174 /nfs/dbraw/zinc/69/51/74/545695174.db2.gz BAHJASQSKIARSG-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673148986 545695361 /nfs/dbraw/zinc/69/53/61/545695361.db2.gz BAHJASQSKIARSG-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000673148986 545695355 /nfs/dbraw/zinc/69/53/55/545695355.db2.gz BAHJASQSKIARSG-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000673148986 545695351 /nfs/dbraw/zinc/69/53/51/545695351.db2.gz BAHJASQSKIARSG-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000673148986 545695349 /nfs/dbraw/zinc/69/53/49/545695349.db2.gz BAHJASQSKIARSG-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000673148987 545695098 /nfs/dbraw/zinc/69/50/98/545695098.db2.gz BAHJASQSKIARSG-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000673148987 545695091 /nfs/dbraw/zinc/69/50/91/545695091.db2.gz BAHJASQSKIARSG-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000673148987 545695088 /nfs/dbraw/zinc/69/50/88/545695088.db2.gz BAHJASQSKIARSG-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000673148987 545695084 /nfs/dbraw/zinc/69/50/84/545695084.db2.gz BAHJASQSKIARSG-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000673148988 545695247 /nfs/dbraw/zinc/69/52/47/545695247.db2.gz BAHJASQSKIARSG-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[NH+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000673148988 545695244 /nfs/dbraw/zinc/69/52/44/545695244.db2.gz BAHJASQSKIARSG-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000673148988 545695242 /nfs/dbraw/zinc/69/52/42/545695242.db2.gz BAHJASQSKIARSG-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000673148988 545695238 /nfs/dbraw/zinc/69/52/38/545695238.db2.gz BAHJASQSKIARSG-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000673351804 545737910 /nfs/dbraw/zinc/73/79/10/545737910.db2.gz IMZOUSBQARODEA-CHWSQXEVSA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000673351804 545737903 /nfs/dbraw/zinc/73/79/03/545737903.db2.gz IMZOUSBQARODEA-CHWSQXEVSA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673351805 545737624 /nfs/dbraw/zinc/73/76/24/545737624.db2.gz IMZOUSBQARODEA-OLZOCXBDSA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000673351805 545737616 /nfs/dbraw/zinc/73/76/16/545737616.db2.gz IMZOUSBQARODEA-OLZOCXBDSA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000673351806 545736770 /nfs/dbraw/zinc/73/67/70/545736770.db2.gz IMZOUSBQARODEA-QWHCGFSZSA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000673351806 545736768 /nfs/dbraw/zinc/73/67/68/545736768.db2.gz IMZOUSBQARODEA-QWHCGFSZSA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673351807 545738069 /nfs/dbraw/zinc/73/80/69/545738069.db2.gz IMZOUSBQARODEA-STQMWFEESA-N 2 1 330.429 -1.484 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000673351807 545738064 /nfs/dbraw/zinc/73/80/64/545738064.db2.gz IMZOUSBQARODEA-STQMWFEESA-N 2 1 330.429 -1.484 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339887 545782797 /nfs/dbraw/zinc/78/27/97/545782797.db2.gz ATAFCCHEBUYMBS-KBPBESRZSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685339887 545782790 /nfs/dbraw/zinc/78/27/90/545782790.db2.gz ATAFCCHEBUYMBS-KBPBESRZSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339888 545783366 /nfs/dbraw/zinc/78/33/66/545783366.db2.gz ATAFCCHEBUYMBS-KGLIPLIRSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685339888 545783363 /nfs/dbraw/zinc/78/33/63/545783363.db2.gz ATAFCCHEBUYMBS-KGLIPLIRSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685339889 545782709 /nfs/dbraw/zinc/78/27/09/545782709.db2.gz ATAFCCHEBUYMBS-UONOGXRCSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685339889 545782701 /nfs/dbraw/zinc/78/27/01/545782701.db2.gz ATAFCCHEBUYMBS-UONOGXRCSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685339890 545783230 /nfs/dbraw/zinc/78/32/30/545783230.db2.gz ATAFCCHEBUYMBS-ZIAGYGMSSA-N 2 1 344.456 -1.142 20 0 EAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685339890 545783225 /nfs/dbraw/zinc/78/32/25/545783225.db2.gz ATAFCCHEBUYMBS-ZIAGYGMSSA-N 2 1 344.456 -1.142 20 0 EAADMP C[NH+](C)CCN1C[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000746112588 583245658 /nfs/dbraw/zinc/24/56/58/583245658.db2.gz PVDGRNCKEYRSPS-GFCCVEGCSA-N 2 1 339.440 -1.538 20 0 EAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)CC1=O ZINC000746112589 583245700 /nfs/dbraw/zinc/24/57/00/583245700.db2.gz PVDGRNCKEYRSPS-LBPRGKRZSA-N 2 1 339.440 -1.538 20 0 EAADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC000801512486 583307871 /nfs/dbraw/zinc/30/78/71/583307871.db2.gz XAECNJNAKJLMJD-UHFFFAOYSA-N 2 1 326.441 -1.029 20 0 EAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055007 583310364 /nfs/dbraw/zinc/31/03/64/583310364.db2.gz CMPWLSLGNPSXKP-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055008 583310212 /nfs/dbraw/zinc/31/02/12/583310212.db2.gz CMPWLSLGNPSXKP-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804055009 583310162 /nfs/dbraw/zinc/31/01/62/583310162.db2.gz CMPWLSLGNPSXKP-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804055010 583310536 /nfs/dbraw/zinc/31/05/36/583310536.db2.gz CMPWLSLGNPSXKP-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057963 583311142 /nfs/dbraw/zinc/31/11/42/583311142.db2.gz RZJKEIYWSFJKTD-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804057963 583311140 /nfs/dbraw/zinc/31/11/40/583311140.db2.gz RZJKEIYWSFJKTD-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804057963 583311137 /nfs/dbraw/zinc/31/11/37/583311137.db2.gz RZJKEIYWSFJKTD-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057964 583310871 /nfs/dbraw/zinc/31/08/71/583310871.db2.gz RZJKEIYWSFJKTD-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804057964 583310867 /nfs/dbraw/zinc/31/08/67/583310867.db2.gz RZJKEIYWSFJKTD-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804057964 583310863 /nfs/dbraw/zinc/31/08/63/583310863.db2.gz RZJKEIYWSFJKTD-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804057965 583310950 /nfs/dbraw/zinc/31/09/50/583310950.db2.gz RZJKEIYWSFJKTD-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804057965 583310947 /nfs/dbraw/zinc/31/09/47/583310947.db2.gz RZJKEIYWSFJKTD-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804057965 583310945 /nfs/dbraw/zinc/31/09/45/583310945.db2.gz RZJKEIYWSFJKTD-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804057966 583310810 /nfs/dbraw/zinc/31/08/10/583310810.db2.gz RZJKEIYWSFJKTD-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804057966 583310809 /nfs/dbraw/zinc/31/08/09/583310809.db2.gz RZJKEIYWSFJKTD-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804057966 583310807 /nfs/dbraw/zinc/31/08/07/583310807.db2.gz RZJKEIYWSFJKTD-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000828287330 686370287 /nfs/dbraw/zinc/37/02/87/686370287.db2.gz FEHHDFFCRCXOOM-GFCCVEGCSA-N 2 1 331.442 -1.967 20 0 EAADMP O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000828287331 686370154 /nfs/dbraw/zinc/37/01/54/686370154.db2.gz FEHHDFFCRCXOOM-LBPRGKRZSA-N 2 1 331.442 -1.967 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843258292 583388743 /nfs/dbraw/zinc/38/87/43/583388743.db2.gz CKYIFQJUIGYBOE-UHFFFAOYSA-N 2 1 341.456 -1.098 20 0 EAADMP Cn1c(N)c(C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000843364425 583389210 /nfs/dbraw/zinc/38/92/10/583389210.db2.gz BTKUTZWYSIFXKN-UHFFFAOYSA-N 2 1 335.408 -1.076 20 0 EAADMP Cn1c(N)c(C(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000843364425 583389208 /nfs/dbraw/zinc/38/92/08/583389208.db2.gz BTKUTZWYSIFXKN-UHFFFAOYSA-N 2 1 335.408 -1.076 20 0 EAADMP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843501009 583389478 /nfs/dbraw/zinc/38/94/78/583389478.db2.gz GUFVSRHIGRBFDJ-GFCCVEGCSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C(CO[C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843501010 583389674 /nfs/dbraw/zinc/38/96/74/583389674.db2.gz GUFVSRHIGRBFDJ-LBPRGKRZSA-N 2 1 346.453 -1.799 20 0 EAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000848636818 583402963 /nfs/dbraw/zinc/40/29/63/583402963.db2.gz BQLIHFLJIMBEHD-UONOGXRCSA-N 2 1 336.436 -1.134 20 0 EAADMP CS(=O)(=O)CCOCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849093134 583403905 /nfs/dbraw/zinc/40/39/05/583403905.db2.gz RGGBSWMUMZCOTN-UHFFFAOYSA-N 2 1 336.458 -1.116 20 0 EAADMP CS(=O)(=O)N1CC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000849097376 583403880 /nfs/dbraw/zinc/40/38/80/583403880.db2.gz DOZIOZAISTVGNR-UHFFFAOYSA-N 2 1 333.458 -1.286 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851685918 583408776 /nfs/dbraw/zinc/40/87/76/583408776.db2.gz XPNBUFPNRQVEFA-FDYHWXHSSA-N 2 1 328.388 -1.137 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC[C@H]1F ZINC000851685935 583408961 /nfs/dbraw/zinc/40/89/61/583408961.db2.gz XPNBUFPNRQVEFA-UMSGYPCISA-N 2 1 328.388 -1.137 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[C@H]1F ZINC000851685938 583408815 /nfs/dbraw/zinc/40/88/15/583408815.db2.gz XPNBUFPNRQVEFA-WUHRBBMRSA-N 2 1 328.388 -1.137 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851685941 583408911 /nfs/dbraw/zinc/40/89/11/583408911.db2.gz XPNBUFPNRQVEFA-YVECIDJPSA-N 2 1 328.388 -1.137 20 0 EAADMP [NH3+]C[C@H]1CC(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)=NO1 ZINC000852893151 583410859 /nfs/dbraw/zinc/41/08/59/583410859.db2.gz RQJKPYJBBHLPEH-SECBINFHSA-N 2 1 331.398 -2.464 20 0 EAADMP [NH3+]C[C@@H]1CC(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)=NO1 ZINC000852893155 583411363 /nfs/dbraw/zinc/41/13/63/583411363.db2.gz RQJKPYJBBHLPEH-VIFPVBQESA-N 2 1 331.398 -2.464 20 0 EAADMP O=C(C=C1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000852893223 583411392 /nfs/dbraw/zinc/41/13/92/583411392.db2.gz SNUKAUGWIYJHMP-UHFFFAOYSA-N 2 1 328.438 -1.258 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861754000 583427366 /nfs/dbraw/zinc/42/73/66/583427366.db2.gz BFIUNPIKBMUTBA-CHWSQXEVSA-N 2 1 328.413 -1.601 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861754002 583427444 /nfs/dbraw/zinc/42/74/44/583427444.db2.gz BFIUNPIKBMUTBA-OLZOCXBDSA-N 2 1 328.413 -1.601 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861754005 583427245 /nfs/dbraw/zinc/42/72/45/583427245.db2.gz BFIUNPIKBMUTBA-QWHCGFSZSA-N 2 1 328.413 -1.601 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861754008 583427433 /nfs/dbraw/zinc/42/74/33/583427433.db2.gz BFIUNPIKBMUTBA-STQMWFEESA-N 2 1 328.413 -1.601 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000861754663 583427441 /nfs/dbraw/zinc/42/74/41/583427441.db2.gz JPWJDCCEOOHQCT-NEPJUHHUSA-N 2 1 327.429 -1.504 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000861754676 583427309 /nfs/dbraw/zinc/42/73/09/583427309.db2.gz JPWJDCCEOOHQCT-NWDGAFQWSA-N 2 1 327.429 -1.504 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000861754677 583427396 /nfs/dbraw/zinc/42/73/96/583427396.db2.gz JPWJDCCEOOHQCT-RYUDHWBXSA-N 2 1 327.429 -1.504 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000861754678 583427406 /nfs/dbraw/zinc/42/74/06/583427406.db2.gz JPWJDCCEOOHQCT-VXGBXAGGSA-N 2 1 327.429 -1.504 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755200 583427269 /nfs/dbraw/zinc/42/72/69/583427269.db2.gz MJWWVROKAITCRP-AGIUHOORSA-N 2 1 326.397 -1.930 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755216 583427417 /nfs/dbraw/zinc/42/74/17/583427417.db2.gz MJWWVROKAITCRP-FRRDWIJNSA-N 2 1 326.397 -1.930 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755219 583427375 /nfs/dbraw/zinc/42/73/75/583427375.db2.gz MJWWVROKAITCRP-JHJVBQTASA-N 2 1 326.397 -1.930 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755222 583427354 /nfs/dbraw/zinc/42/73/54/583427354.db2.gz MJWWVROKAITCRP-UPJWGTAASA-N 2 1 326.397 -1.930 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755333 583427204 /nfs/dbraw/zinc/42/72/04/583427204.db2.gz NDIOOGLLOYMIOV-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755334 583427284 /nfs/dbraw/zinc/42/72/84/583427284.db2.gz NDIOOGLLOYMIOV-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755335 583427826 /nfs/dbraw/zinc/42/78/26/583427826.db2.gz NDIOOGLLOYMIOV-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755336 583427808 /nfs/dbraw/zinc/42/78/08/583427808.db2.gz NDIOOGLLOYMIOV-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755744 583427760 /nfs/dbraw/zinc/42/77/60/583427760.db2.gz PJJZBSYPRUYVSU-CHWSQXEVSA-N 2 1 328.413 -1.553 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861755748 583427720 /nfs/dbraw/zinc/42/77/20/583427720.db2.gz PJJZBSYPRUYVSU-OLZOCXBDSA-N 2 1 328.413 -1.553 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755750 583427786 /nfs/dbraw/zinc/42/77/86/583427786.db2.gz PJJZBSYPRUYVSU-QWHCGFSZSA-N 2 1 328.413 -1.553 20 0 EAADMP [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861755752 583427729 /nfs/dbraw/zinc/42/77/29/583427729.db2.gz PJJZBSYPRUYVSU-STQMWFEESA-N 2 1 328.413 -1.553 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861756384 583427797 /nfs/dbraw/zinc/42/77/97/583427797.db2.gz YPQBTEBUUABTKY-CHWSQXEVSA-N 2 1 328.413 -1.682 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000861756385 583427706 /nfs/dbraw/zinc/42/77/06/583427706.db2.gz YPQBTEBUUABTKY-OLZOCXBDSA-N 2 1 328.413 -1.682 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861756386 583427769 /nfs/dbraw/zinc/42/77/69/583427769.db2.gz YPQBTEBUUABTKY-QWHCGFSZSA-N 2 1 328.413 -1.682 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000861756387 583427780 /nfs/dbraw/zinc/42/77/80/583427780.db2.gz YPQBTEBUUABTKY-STQMWFEESA-N 2 1 328.413 -1.682 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000861759977 583427716 /nfs/dbraw/zinc/42/77/16/583427716.db2.gz RWVQJXZVUBGNDK-CHWSQXEVSA-N 2 1 341.456 -1.149 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000861759980 583427790 /nfs/dbraw/zinc/42/77/90/583427790.db2.gz RWVQJXZVUBGNDK-OLZOCXBDSA-N 2 1 341.456 -1.149 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000861759981 583427817 /nfs/dbraw/zinc/42/78/17/583427817.db2.gz RWVQJXZVUBGNDK-QWHCGFSZSA-N 2 1 341.456 -1.149 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000861759982 583427755 /nfs/dbraw/zinc/42/77/55/583427755.db2.gz RWVQJXZVUBGNDK-STQMWFEESA-N 2 1 341.456 -1.149 20 0 EAADMP CS(=O)(=O)NCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549719 583433641 /nfs/dbraw/zinc/43/36/41/583433641.db2.gz PUMXXJKWZGAQEV-NEPJUHHUSA-N 2 1 332.426 -1.207 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000863765707 583434981 /nfs/dbraw/zinc/43/49/81/583434981.db2.gz SMHGPAJTIAIICK-CHWSQXEVSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000863765708 583434972 /nfs/dbraw/zinc/43/49/72/583434972.db2.gz SMHGPAJTIAIICK-OLZOCXBDSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000863765709 583434867 /nfs/dbraw/zinc/43/48/67/583434867.db2.gz SMHGPAJTIAIICK-QWHCGFSZSA-N 2 1 339.440 -1.443 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000863765710 583434824 /nfs/dbraw/zinc/43/48/24/583434824.db2.gz SMHGPAJTIAIICK-STQMWFEESA-N 2 1 339.440 -1.443 20 0 EAADMP CN1C(=O)[C@H]2C[N@H+]([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1=O ZINC000864352134 583436184 /nfs/dbraw/zinc/43/61/84/583436184.db2.gz SHIPGLPVBKEYES-GRYCIOLGSA-N 2 1 336.392 -1.388 20 0 EAADMP CN1C(=O)[C@H]2C[N@H+]([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)C[C@H]2C1=O ZINC000864352135 583436379 /nfs/dbraw/zinc/43/63/79/583436379.db2.gz SHIPGLPVBKEYES-TUAOUCFPSA-N 2 1 336.392 -1.388 20 0 EAADMP CCS(=O)(=O)NCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707984 583438589 /nfs/dbraw/zinc/43/85/89/583438589.db2.gz CGQSRRKEWYDRAV-TUAOUCFPSA-N 2 1 332.426 -1.207 20 0 EAADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707984 583438585 /nfs/dbraw/zinc/43/85/85/583438585.db2.gz CGQSRRKEWYDRAV-TUAOUCFPSA-N 2 1 332.426 -1.207 20 0 EAADMP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708008 583438557 /nfs/dbraw/zinc/43/85/57/583438557.db2.gz CGQSRRKEWYDRAV-UTUOFQBUSA-N 2 1 332.426 -1.207 20 0 EAADMP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708008 583438555 /nfs/dbraw/zinc/43/85/55/583438555.db2.gz CGQSRRKEWYDRAV-UTUOFQBUSA-N 2 1 332.426 -1.207 20 0 EAADMP CNS(=O)(=O)CCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710389 583438676 /nfs/dbraw/zinc/43/86/76/583438676.db2.gz QBENZISQFVEBMX-TUAOUCFPSA-N 2 1 332.426 -1.207 20 0 EAADMP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710390 583438502 /nfs/dbraw/zinc/43/85/02/583438502.db2.gz QBENZISQFVEBMX-UTUOFQBUSA-N 2 1 332.426 -1.207 20 0 EAADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711098 583438597 /nfs/dbraw/zinc/43/85/97/583438597.db2.gz BVUOZFOSDVDQAF-TUAOUCFPSA-N 2 1 332.426 -1.255 20 0 EAADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711098 583438594 /nfs/dbraw/zinc/43/85/94/583438594.db2.gz BVUOZFOSDVDQAF-TUAOUCFPSA-N 2 1 332.426 -1.255 20 0 EAADMP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711099 583438540 /nfs/dbraw/zinc/43/85/40/583438540.db2.gz BVUOZFOSDVDQAF-UTUOFQBUSA-N 2 1 332.426 -1.255 20 0 EAADMP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711099 583438537 /nfs/dbraw/zinc/43/85/37/583438537.db2.gz BVUOZFOSDVDQAF-UTUOFQBUSA-N 2 1 332.426 -1.255 20 0 EAADMP O=C(CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCNCC1 ZINC000866714694 583438646 /nfs/dbraw/zinc/43/86/46/583438646.db2.gz VKFNSMDGSJUPIK-MCIONIFRSA-N 2 1 337.424 -1.325 20 0 EAADMP O=C(CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCNCC1 ZINC000866714694 583438644 /nfs/dbraw/zinc/43/86/44/583438644.db2.gz VKFNSMDGSJUPIK-MCIONIFRSA-N 2 1 337.424 -1.325 20 0 EAADMP O=C(CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1 ZINC000866714694 583438640 /nfs/dbraw/zinc/43/86/40/583438640.db2.gz VKFNSMDGSJUPIK-MCIONIFRSA-N 3 1 337.424 -1.325 20 0 EAADMP O=C(CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCNCC1 ZINC000866714695 583438691 /nfs/dbraw/zinc/43/86/91/583438691.db2.gz VKFNSMDGSJUPIK-MJBXVCDLSA-N 2 1 337.424 -1.325 20 0 EAADMP O=C(CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCNCC1 ZINC000866714695 583438688 /nfs/dbraw/zinc/43/86/88/583438688.db2.gz VKFNSMDGSJUPIK-MJBXVCDLSA-N 2 1 337.424 -1.325 20 0 EAADMP O=C(CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CC[NH2+]CC1 ZINC000866714695 583438686 /nfs/dbraw/zinc/43/86/86/583438686.db2.gz VKFNSMDGSJUPIK-MJBXVCDLSA-N 3 1 337.424 -1.325 20 0 EAADMP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000866786436 583438626 /nfs/dbraw/zinc/43/86/26/583438626.db2.gz SLKBIGAHBUNCHM-KFWWJZLASA-N 2 1 348.513 -1.024 20 0 EAADMP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)C[C@H]1C[NH+](C)C ZINC000866786437 583438986 /nfs/dbraw/zinc/43/89/86/583438986.db2.gz SLKBIGAHBUNCHM-RBSFLKMASA-N 2 1 348.513 -1.024 20 0 EAADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000867627724 583439497 /nfs/dbraw/zinc/43/94/97/583439497.db2.gz KWOMVWHTIQMFLO-BARDWOONSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000867627724 583439496 /nfs/dbraw/zinc/43/94/96/583439496.db2.gz KWOMVWHTIQMFLO-BARDWOONSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000867627742 583439432 /nfs/dbraw/zinc/43/94/32/583439432.db2.gz KWOMVWHTIQMFLO-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000867627742 583439429 /nfs/dbraw/zinc/43/94/29/583439429.db2.gz KWOMVWHTIQMFLO-BYNSBNAKSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000867627745 583439460 /nfs/dbraw/zinc/43/94/60/583439460.db2.gz KWOMVWHTIQMFLO-LXTVHRRPSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@H]21 ZINC000867627745 583439457 /nfs/dbraw/zinc/43/94/57/583439457.db2.gz KWOMVWHTIQMFLO-LXTVHRRPSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000867627747 583439487 /nfs/dbraw/zinc/43/94/87/583439487.db2.gz KWOMVWHTIQMFLO-XQLPTFJDSA-N 2 1 336.436 -1.184 20 0 EAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC[C@@H]21 ZINC000867627747 583439485 /nfs/dbraw/zinc/43/94/85/583439485.db2.gz KWOMVWHTIQMFLO-XQLPTFJDSA-N 2 1 336.436 -1.184 20 0 EAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCNCC2)C[C@H]1C[NH+](C)C ZINC000868385129 583441783 /nfs/dbraw/zinc/44/17/83/583441783.db2.gz KQHXODVTGJDLDA-ZIAGYGMSSA-N 2 1 325.457 -1.384 20 0 EAADMP O=C(CCC12CC(C1)C[NH2+]2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000870947541 583444441 /nfs/dbraw/zinc/44/44/41/583444441.db2.gz COVQWMBGKIUFDL-UHFFFAOYSA-N 2 1 342.465 -1.036 20 0 EAADMP [NH3+][C@H]1CC[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000870948570 583444702 /nfs/dbraw/zinc/44/47/02/583444702.db2.gz SJWIEKBJKGUBDG-HAQNSBGRSA-N 2 1 330.454 -1.050 20 0 EAADMP [NH3+][C@H]1CC[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000870948571 583444469 /nfs/dbraw/zinc/44/44/69/583444469.db2.gz SJWIEKBJKGUBDG-TXEJJXNPSA-N 2 1 330.454 -1.050 20 0 EAADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000870948643 583444399 /nfs/dbraw/zinc/44/43/99/583444399.db2.gz UAEHJVRQDZGWNT-MISXGVKJSA-N 2 1 328.438 -1.440 20 0 EAADMP O=C(CC[NH2+]CC1CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000870948989 583445023 /nfs/dbraw/zinc/44/50/23/583445023.db2.gz ZKQRQJGOJQMZTF-UHFFFAOYSA-N 2 1 330.454 -1.178 20 0 EAADMP Cn1c2ncn(CC[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2c(=O)n(C)c1=O ZINC000872153183 583445237 /nfs/dbraw/zinc/44/52/37/583445237.db2.gz AIYMAIMNPODGFX-MEDUHNTESA-N 2 1 332.408 -1.025 20 0 EAADMP Cn1c2ncn(CC[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2c(=O)n(C)c1=O ZINC000872153183 583445235 /nfs/dbraw/zinc/44/52/35/583445235.db2.gz AIYMAIMNPODGFX-MEDUHNTESA-N 2 1 332.408 -1.025 20 0 EAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872190043 583445514 /nfs/dbraw/zinc/44/55/14/583445514.db2.gz MRKKNLIBBBVWSR-SUMWQHHRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C2 ZINC000872194731 583445845 /nfs/dbraw/zinc/44/58/45/583445845.db2.gz KHWAZIXCRKIFHD-SUMWQHHRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)C2 ZINC000872194731 583445841 /nfs/dbraw/zinc/44/58/41/583445841.db2.gz KHWAZIXCRKIFHD-SUMWQHHRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[C@H](C)[N@@H+]1CCO ZINC000872195339 583445763 /nfs/dbraw/zinc/44/57/63/583445763.db2.gz OWCVZELYXCSHRH-QDEZUTFSSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[C@H](C)[N@H+]1CCO ZINC000872195339 583445758 /nfs/dbraw/zinc/44/57/58/583445758.db2.gz OWCVZELYXCSHRH-QDEZUTFSSA-N 2 1 338.452 -1.032 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875209275 583449187 /nfs/dbraw/zinc/44/91/87/583449187.db2.gz OLVBMWSJGGCQBX-KFWWJZLASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875209275 583449185 /nfs/dbraw/zinc/44/91/85/583449185.db2.gz OLVBMWSJGGCQBX-KFWWJZLASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875209275 583449182 /nfs/dbraw/zinc/44/91/82/583449182.db2.gz OLVBMWSJGGCQBX-KFWWJZLASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875209276 583449210 /nfs/dbraw/zinc/44/92/10/583449210.db2.gz OLVBMWSJGGCQBX-RBSFLKMASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875209276 583449208 /nfs/dbraw/zinc/44/92/08/583449208.db2.gz OLVBMWSJGGCQBX-RBSFLKMASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875209276 583449206 /nfs/dbraw/zinc/44/92/06/583449206.db2.gz OLVBMWSJGGCQBX-RBSFLKMASA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875209277 583449029 /nfs/dbraw/zinc/44/90/29/583449029.db2.gz OLVBMWSJGGCQBX-RRFJBIMHSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875209277 583449025 /nfs/dbraw/zinc/44/90/25/583449025.db2.gz OLVBMWSJGGCQBX-RRFJBIMHSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000875209277 583449022 /nfs/dbraw/zinc/44/90/22/583449022.db2.gz OLVBMWSJGGCQBX-RRFJBIMHSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875209278 583449260 /nfs/dbraw/zinc/44/92/60/583449260.db2.gz OLVBMWSJGGCQBX-ZNMIVQPWSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875209278 583449258 /nfs/dbraw/zinc/44/92/58/583449258.db2.gz OLVBMWSJGGCQBX-ZNMIVQPWSA-N 2 1 337.468 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000875209278 583449256 /nfs/dbraw/zinc/44/92/56/583449256.db2.gz OLVBMWSJGGCQBX-ZNMIVQPWSA-N 2 1 337.468 -1.099 20 0 EAADMP C[NH+](C)C[C@H](N)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000876781956 583452178 /nfs/dbraw/zinc/45/21/78/583452178.db2.gz SRXONEFMECHVRS-AWEZNQCLSA-N 2 1 335.456 -1.006 20 0 EAADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876922917 583452644 /nfs/dbraw/zinc/45/26/44/583452644.db2.gz BAGIWOCODJFCKU-DHCBQETCSA-N 2 1 342.465 -1.012 20 0 EAADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876922918 583452700 /nfs/dbraw/zinc/45/27/00/583452700.db2.gz BAGIWOCODJFCKU-ITDFMYJTSA-N 2 1 342.465 -1.012 20 0 EAADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876922919 583452446 /nfs/dbraw/zinc/45/24/46/583452446.db2.gz BAGIWOCODJFCKU-OOPCZODUSA-N 2 1 342.465 -1.012 20 0 EAADMP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876922920 583452667 /nfs/dbraw/zinc/45/26/67/583452667.db2.gz BAGIWOCODJFCKU-SCOBNMCVSA-N 2 1 342.465 -1.012 20 0 EAADMP [NH3+]C[C@@H]1[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1(F)F ZINC000876924125 583452510 /nfs/dbraw/zinc/45/25/10/583452510.db2.gz LIDZZHSPRPIZKA-NXEZZACHSA-N 2 1 338.380 -1.728 20 0 EAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876924402 583452452 /nfs/dbraw/zinc/45/24/52/583452452.db2.gz RHZTWMRXJHYPTM-HIFRSBDPSA-N 2 1 342.465 -1.036 20 0 EAADMP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924595 583452662 /nfs/dbraw/zinc/45/26/62/583452662.db2.gz UDLFTOBGOJVCAT-CMPLNLGQSA-N 2 1 334.417 -1.620 20 0 EAADMP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924596 583452591 /nfs/dbraw/zinc/45/25/91/583452591.db2.gz UDLFTOBGOJVCAT-JQWIXIFHSA-N 2 1 334.417 -1.620 20 0 EAADMP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924597 583452543 /nfs/dbraw/zinc/45/25/43/583452543.db2.gz UDLFTOBGOJVCAT-PWSUYJOCSA-N 2 1 334.417 -1.620 20 0 EAADMP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924598 583452529 /nfs/dbraw/zinc/45/25/29/583452529.db2.gz UDLFTOBGOJVCAT-ZYHUDNBSSA-N 2 1 334.417 -1.620 20 0 EAADMP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924795 583452433 /nfs/dbraw/zinc/45/24/33/583452433.db2.gz WKJTXJIGURMPFU-BTBCPRSTSA-N 2 1 342.465 -1.156 20 0 EAADMP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924796 583452627 /nfs/dbraw/zinc/45/26/27/583452627.db2.gz WKJTXJIGURMPFU-SDEBIZQBSA-N 2 1 342.465 -1.156 20 0 EAADMP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876925013 583452696 /nfs/dbraw/zinc/45/26/96/583452696.db2.gz ZKCXNQKUBTVOHQ-NEPJUHHUSA-N 2 1 330.454 -1.194 20 0 EAADMP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876925014 583452426 /nfs/dbraw/zinc/45/24/26/583452426.db2.gz ZKCXNQKUBTVOHQ-NWDGAFQWSA-N 2 1 330.454 -1.194 20 0 EAADMP CC1(C)[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@@H]1[NH3+] ZINC000876925015 583452691 /nfs/dbraw/zinc/45/26/91/583452691.db2.gz ZKCXNQKUBTVOHQ-RYUDHWBXSA-N 2 1 330.454 -1.194 20 0 EAADMP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876925016 583452514 /nfs/dbraw/zinc/45/25/14/583452514.db2.gz ZKCXNQKUBTVOHQ-VXGBXAGGSA-N 2 1 330.454 -1.194 20 0 EAADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)CN1CCOCC1 ZINC000878180338 583453740 /nfs/dbraw/zinc/45/37/40/583453740.db2.gz ZUWWDYJEYZWJQS-HNNXBMFYSA-N 2 1 328.457 -1.178 20 0 EAADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)CN1CCOCC1 ZINC000878180338 583453738 /nfs/dbraw/zinc/45/37/38/583453738.db2.gz ZUWWDYJEYZWJQS-HNNXBMFYSA-N 2 1 328.457 -1.178 20 0 EAADMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000878180339 583453796 /nfs/dbraw/zinc/45/37/96/583453796.db2.gz ZUWWDYJEYZWJQS-OAHLLOKOSA-N 2 1 328.457 -1.178 20 0 EAADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)CN1CCOCC1 ZINC000878180339 583453794 /nfs/dbraw/zinc/45/37/94/583453794.db2.gz ZUWWDYJEYZWJQS-OAHLLOKOSA-N 2 1 328.457 -1.178 20 0 EAADMP CN(CC(=O)NC1CC[NH+](C)CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355408 583454794 /nfs/dbraw/zinc/45/47/94/583454794.db2.gz DNYMXGXPIRFTRE-UHFFFAOYSA-N 2 1 325.457 -1.097 20 0 EAADMP CN1C(=O)[C@H]2C[NH+](CCC[N@@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)C[C@H]2C1=O ZINC000879533155 583454756 /nfs/dbraw/zinc/45/47/56/583454756.db2.gz ASZVWODYIFFESG-MPZDIEGVSA-N 2 1 348.403 -1.530 20 0 EAADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693716 583455221 /nfs/dbraw/zinc/45/52/21/583455221.db2.gz UKWMTJJIIFZVJB-OWCLPIDISA-N 2 1 343.468 -1.008 20 0 EAADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693716 583455218 /nfs/dbraw/zinc/45/52/18/583455218.db2.gz UKWMTJJIIFZVJB-OWCLPIDISA-N 2 1 343.468 -1.008 20 0 EAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693716 583455215 /nfs/dbraw/zinc/45/52/15/583455215.db2.gz UKWMTJJIIFZVJB-OWCLPIDISA-N 2 1 343.468 -1.008 20 0 EAADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693717 583455240 /nfs/dbraw/zinc/45/52/40/583455240.db2.gz UKWMTJJIIFZVJB-XHSDSOJGSA-N 2 1 343.468 -1.008 20 0 EAADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693717 583455236 /nfs/dbraw/zinc/45/52/36/583455236.db2.gz UKWMTJJIIFZVJB-XHSDSOJGSA-N 2 1 343.468 -1.008 20 0 EAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](CO)[C@H](CO)C2)C1 ZINC000879693717 583455232 /nfs/dbraw/zinc/45/52/32/583455232.db2.gz UKWMTJJIIFZVJB-XHSDSOJGSA-N 2 1 343.468 -1.008 20 0 EAADMP COC(=O)[C@]1(O)CC[NH+](CCCC[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564398 583456858 /nfs/dbraw/zinc/45/68/58/583456858.db2.gz LSEGLJFQBONXGH-HOTGVXAUSA-N 2 1 344.408 -1.014 20 0 EAADMP COC(=O)[C@@]1(O)CC[NH+](CCCC[N@@H+]2CC[C@](O)(C(=O)OC)C2)C1 ZINC000880564399 583456876 /nfs/dbraw/zinc/45/68/76/583456876.db2.gz LSEGLJFQBONXGH-HZPDHXFCSA-N 2 1 344.408 -1.014 20 0 EAADMP COC(=O)[C@@]1(O)CC[N@H+](CCCC[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564400 583456573 /nfs/dbraw/zinc/45/65/73/583456573.db2.gz LSEGLJFQBONXGH-IYBDPMFKSA-N 2 1 344.408 -1.014 20 0 EAADMP COC(=O)[C@@]1(O)CC[N@@H+](CCCC[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564400 583456570 /nfs/dbraw/zinc/45/65/70/583456570.db2.gz LSEGLJFQBONXGH-IYBDPMFKSA-N 2 1 344.408 -1.014 20 0 EAADMP COC(=O)[C@@]1(O)CC[NH+](CCCC[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880564400 583456568 /nfs/dbraw/zinc/45/65/68/583456568.db2.gz LSEGLJFQBONXGH-IYBDPMFKSA-N 2 1 344.408 -1.014 20 0 EAADMP COC(=O)[C@]1(O)CC[NH+](C/C=C\C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565734 583456738 /nfs/dbraw/zinc/45/67/38/583456738.db2.gz GYWHEHOGFTTYSK-HFZJXRFXSA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@]1(O)CC[NH+](C/C=C/C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565735 583456524 /nfs/dbraw/zinc/45/65/24/583456524.db2.gz GYWHEHOGFTTYSK-PIGHNIFASA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@@]1(O)CC[N@H+](C/C=C\C[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565736 583456771 /nfs/dbraw/zinc/45/67/71/583456771.db2.gz GYWHEHOGFTTYSK-SSGMOAHOSA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@@]1(O)CC[N@@H+](C/C=C\C[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565736 583456768 /nfs/dbraw/zinc/45/67/68/583456768.db2.gz GYWHEHOGFTTYSK-SSGMOAHOSA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@@]1(O)CC[NH+](C/C=C\C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565736 583456765 /nfs/dbraw/zinc/45/67/65/583456765.db2.gz GYWHEHOGFTTYSK-SSGMOAHOSA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@@]1(O)CC[N@H+](C/C=C/C[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565737 583456813 /nfs/dbraw/zinc/45/68/13/583456813.db2.gz GYWHEHOGFTTYSK-ZOSBBBERSA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@@]1(O)CC[N@@H+](C/C=C/C[NH+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565737 583456810 /nfs/dbraw/zinc/45/68/10/583456810.db2.gz GYWHEHOGFTTYSK-ZOSBBBERSA-N 2 1 342.392 -1.238 20 0 EAADMP COC(=O)[C@@]1(O)CC[NH+](C/C=C/C[N@@H+]2CC[C@@](O)(C(=O)OC)C2)C1 ZINC000880565737 583456807 /nfs/dbraw/zinc/45/68/07/583456807.db2.gz GYWHEHOGFTTYSK-ZOSBBBERSA-N 2 1 342.392 -1.238 20 0 EAADMP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000884345160 583463483 /nfs/dbraw/zinc/46/34/83/583463483.db2.gz XVUHAXVYFAPKFZ-GFCCVEGCSA-N 2 1 330.454 -1.322 20 0 EAADMP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000884345161 583463608 /nfs/dbraw/zinc/46/36/08/583463608.db2.gz XVUHAXVYFAPKFZ-LBPRGKRZSA-N 2 1 330.454 -1.322 20 0 EAADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884558727 583464037 /nfs/dbraw/zinc/46/40/37/583464037.db2.gz CPGIVXJAIPNBQU-NEPJUHHUSA-N 2 1 325.413 -1.785 20 0 EAADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884558728 583464063 /nfs/dbraw/zinc/46/40/63/583464063.db2.gz CPGIVXJAIPNBQU-NWDGAFQWSA-N 2 1 325.413 -1.785 20 0 EAADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884558729 583463993 /nfs/dbraw/zinc/46/39/93/583463993.db2.gz CPGIVXJAIPNBQU-RYUDHWBXSA-N 2 1 325.413 -1.785 20 0 EAADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000884558730 583463997 /nfs/dbraw/zinc/46/39/97/583463997.db2.gz CPGIVXJAIPNBQU-VXGBXAGGSA-N 2 1 325.413 -1.785 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000884558827 583463972 /nfs/dbraw/zinc/46/39/72/583463972.db2.gz FQKMORUWYKMYAW-CHWSQXEVSA-N 2 1 339.440 -1.680 20 0 EAADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884559072 583463944 /nfs/dbraw/zinc/46/39/44/583463944.db2.gz LWOSKQQRGFDBAT-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000884559073 583463970 /nfs/dbraw/zinc/46/39/70/583463970.db2.gz LWOSKQQRGFDBAT-ZDUSSCGKSA-N 2 1 339.440 -1.523 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884559522 583463960 /nfs/dbraw/zinc/46/39/60/583463960.db2.gz XAVMCHIOBLXHKL-GFCCVEGCSA-N 2 1 325.413 -1.784 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884559574 583464014 /nfs/dbraw/zinc/46/40/14/583464014.db2.gz YJWWJZCUPJMTPN-BETUJISGSA-N 2 1 337.424 -1.771 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000884669681 583464387 /nfs/dbraw/zinc/46/43/87/583464387.db2.gz CVZGAEAWSXBNSW-UONOGXRCSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])CN1CC[NH+](C)CC1 ZINC000884669682 583464554 /nfs/dbraw/zinc/46/45/54/583464554.db2.gz CVZGAEAWSXBNSW-ZIAGYGMSSA-N 2 1 325.457 -1.064 20 0 EAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884669833 583464312 /nfs/dbraw/zinc/46/43/12/583464312.db2.gz IBFCTYNLIFWIMA-ILXRZTDVSA-N 2 1 337.468 -1.051 20 0 EAADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884669834 583464452 /nfs/dbraw/zinc/46/44/52/583464452.db2.gz IBFCTYNLIFWIMA-KKUMJFAQSA-N 2 1 337.468 -1.051 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CC[NH+](C)CC1 ZINC000884670228 583464525 /nfs/dbraw/zinc/46/45/25/583464525.db2.gz SAELBVLASVJNTJ-KFWWJZLASA-N 2 1 337.468 -1.051 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)CN1CC[NH+](C)CC1 ZINC000884670229 583464436 /nfs/dbraw/zinc/46/44/36/583464436.db2.gz SAELBVLASVJNTJ-SOUVJXGZSA-N 2 1 337.468 -1.051 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000884670294 583464590 /nfs/dbraw/zinc/46/45/90/583464590.db2.gz UXSVPTCBHUHMOG-HZSPNIEDSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000884670295 583464416 /nfs/dbraw/zinc/46/44/16/583464416.db2.gz UXSVPTCBHUHMOG-MCIONIFRSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000884670296 583464578 /nfs/dbraw/zinc/46/45/78/583464578.db2.gz UXSVPTCBHUHMOG-MGPQQGTHSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000884670297 583464408 /nfs/dbraw/zinc/46/44/08/583464408.db2.gz UXSVPTCBHUHMOG-RDBSUJKOSA-N 2 1 325.457 -1.066 20 0 EAADMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884674243 583464466 /nfs/dbraw/zinc/46/44/66/583464466.db2.gz QNTAODJQJFTNHQ-AWEZNQCLSA-N 2 1 341.456 -1.636 20 0 EAADMP [NH3+]CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884674243 583464464 /nfs/dbraw/zinc/46/44/64/583464464.db2.gz QNTAODJQJFTNHQ-AWEZNQCLSA-N 2 1 341.456 -1.636 20 0 EAADMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884674244 583464548 /nfs/dbraw/zinc/46/45/48/583464548.db2.gz QNTAODJQJFTNHQ-CQSZACIVSA-N 2 1 341.456 -1.636 20 0 EAADMP [NH3+]CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884674244 583464545 /nfs/dbraw/zinc/46/45/45/583464545.db2.gz QNTAODJQJFTNHQ-CQSZACIVSA-N 2 1 341.456 -1.636 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000884676396 583464473 /nfs/dbraw/zinc/46/44/73/583464473.db2.gz MBZQBFQQRUBYPH-CABCVRRESA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@@H]21 ZINC000884676397 583464327 /nfs/dbraw/zinc/46/43/27/583464327.db2.gz MBZQBFQQRUBYPH-GJZGRUSLSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000884676398 583464423 /nfs/dbraw/zinc/46/44/23/583464423.db2.gz MBZQBFQQRUBYPH-HUUCEWRRSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC[C@H]21 ZINC000884676399 583464492 /nfs/dbraw/zinc/46/44/92/583464492.db2.gz MBZQBFQQRUBYPH-LSDHHAIUSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CCC1(C)C ZINC000884677142 583464514 /nfs/dbraw/zinc/46/45/14/583464514.db2.gz IRTCVSDZCDKFFM-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1(C)C ZINC000884677577 583464339 /nfs/dbraw/zinc/46/43/39/583464339.db2.gz XUQKTXMKSOESEN-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP C[N@@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1(C)C ZINC000884677577 583464336 /nfs/dbraw/zinc/46/43/36/583464336.db2.gz XUQKTXMKSOESEN-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000884679428 583465021 /nfs/dbraw/zinc/46/50/21/583465021.db2.gz HQVUWPKMSBJGIY-CHWSQXEVSA-N 2 1 337.424 -1.913 20 0 EAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000884679429 583465154 /nfs/dbraw/zinc/46/51/54/583465154.db2.gz HQVUWPKMSBJGIY-OLZOCXBDSA-N 2 1 337.424 -1.913 20 0 EAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@H]21 ZINC000884679430 583465067 /nfs/dbraw/zinc/46/50/67/583465067.db2.gz HQVUWPKMSBJGIY-QWHCGFSZSA-N 2 1 337.424 -1.913 20 0 EAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)CC[C@@H]21 ZINC000884679431 583465039 /nfs/dbraw/zinc/46/50/39/583465039.db2.gz HQVUWPKMSBJGIY-STQMWFEESA-N 2 1 337.424 -1.913 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000884679570 583464940 /nfs/dbraw/zinc/46/49/40/583464940.db2.gz NCNAXNWGWUGWSJ-UHFFFAOYSA-N 2 1 325.413 -1.913 20 0 EAADMP C[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1(C)C ZINC000884679570 583464936 /nfs/dbraw/zinc/46/49/36/583464936.db2.gz NCNAXNWGWUGWSJ-UHFFFAOYSA-N 2 1 325.413 -1.913 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CCC1(C)C ZINC000884679668 583464987 /nfs/dbraw/zinc/46/49/87/583464987.db2.gz PFBRTFYMLAIKMT-UHFFFAOYSA-N 2 1 339.440 -1.523 20 0 EAADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884684891 583464985 /nfs/dbraw/zinc/46/49/85/583464985.db2.gz RZQMFARTGNZVJI-KBPBESRZSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884684891 583464984 /nfs/dbraw/zinc/46/49/84/583464984.db2.gz RZQMFARTGNZVJI-KBPBESRZSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884684892 583465088 /nfs/dbraw/zinc/46/50/88/583465088.db2.gz RZQMFARTGNZVJI-KGLIPLIRSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884684892 583465086 /nfs/dbraw/zinc/46/50/86/583465086.db2.gz RZQMFARTGNZVJI-KGLIPLIRSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884684893 583465175 /nfs/dbraw/zinc/46/51/75/583465175.db2.gz RZQMFARTGNZVJI-UONOGXRCSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884684893 583465174 /nfs/dbraw/zinc/46/51/74/583465174.db2.gz RZQMFARTGNZVJI-UONOGXRCSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884684894 583464891 /nfs/dbraw/zinc/46/48/91/583464891.db2.gz RZQMFARTGNZVJI-ZIAGYGMSSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884684894 583464887 /nfs/dbraw/zinc/46/48/87/583464887.db2.gz RZQMFARTGNZVJI-ZIAGYGMSSA-N 2 1 341.456 -1.637 20 0 EAADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884687367 583465163 /nfs/dbraw/zinc/46/51/63/583465163.db2.gz SEUJKQVRDMPVDB-AWEZNQCLSA-N 2 1 341.456 -1.765 20 0 EAADMP C[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884687367 583465161 /nfs/dbraw/zinc/46/51/61/583465161.db2.gz SEUJKQVRDMPVDB-AWEZNQCLSA-N 2 1 341.456 -1.765 20 0 EAADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884687368 583465114 /nfs/dbraw/zinc/46/51/14/583465114.db2.gz SEUJKQVRDMPVDB-CQSZACIVSA-N 2 1 341.456 -1.765 20 0 EAADMP C[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884687368 583465112 /nfs/dbraw/zinc/46/51/12/583465112.db2.gz SEUJKQVRDMPVDB-CQSZACIVSA-N 2 1 341.456 -1.765 20 0 EAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884693308 583465145 /nfs/dbraw/zinc/46/51/45/583465145.db2.gz UPGDKYFIWBSQRM-CYBMUJFWSA-N 2 1 339.440 -2.013 20 0 EAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884693308 583465142 /nfs/dbraw/zinc/46/51/42/583465142.db2.gz UPGDKYFIWBSQRM-CYBMUJFWSA-N 2 1 339.440 -2.013 20 0 EAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884693309 583464979 /nfs/dbraw/zinc/46/49/79/583464979.db2.gz UPGDKYFIWBSQRM-ZDUSSCGKSA-N 2 1 339.440 -2.013 20 0 EAADMP O=C(NC1C[NH2+]C1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884693309 583464977 /nfs/dbraw/zinc/46/49/77/583464977.db2.gz UPGDKYFIWBSQRM-ZDUSSCGKSA-N 2 1 339.440 -2.013 20 0 EAADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884704588 583465051 /nfs/dbraw/zinc/46/50/51/583465051.db2.gz MEXLBWIBKFDMIL-KGLIPLIRSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884704588 583465050 /nfs/dbraw/zinc/46/50/50/583465050.db2.gz MEXLBWIBKFDMIL-KGLIPLIRSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884704589 583465079 /nfs/dbraw/zinc/46/50/79/583465079.db2.gz MEXLBWIBKFDMIL-ZIAGYGMSSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884704589 583465077 /nfs/dbraw/zinc/46/50/77/583465077.db2.gz MEXLBWIBKFDMIL-ZIAGYGMSSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884705247 583464960 /nfs/dbraw/zinc/46/49/60/583464960.db2.gz MEXLBWIBKFDMIL-KBPBESRZSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884705247 583464958 /nfs/dbraw/zinc/46/49/58/583464958.db2.gz MEXLBWIBKFDMIL-KBPBESRZSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884705248 583465492 /nfs/dbraw/zinc/46/54/92/583465492.db2.gz MEXLBWIBKFDMIL-UONOGXRCSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884705248 583465489 /nfs/dbraw/zinc/46/54/89/583465489.db2.gz MEXLBWIBKFDMIL-UONOGXRCSA-N 2 1 341.456 -1.637 20 0 EAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)C[NH3+])C[C@H]1C[NH+](C)C ZINC000884721999 583465377 /nfs/dbraw/zinc/46/53/77/583465377.db2.gz CJKYTWBDTUTWDR-VXGBXAGGSA-N 3 1 349.426 -1.106 20 0 EAADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000885005369 583466002 /nfs/dbraw/zinc/46/60/02/583466002.db2.gz VQZBFVRETRSILD-AIEDFZFUSA-N 2 1 336.436 -1.089 20 0 EAADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885223816 583466459 /nfs/dbraw/zinc/46/64/59/583466459.db2.gz ITIHJJGRDAVQMR-AWEZNQCLSA-N 2 1 341.456 -1.684 20 0 EAADMP CN(CC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885223816 583466456 /nfs/dbraw/zinc/46/64/56/583466456.db2.gz ITIHJJGRDAVQMR-AWEZNQCLSA-N 2 1 341.456 -1.684 20 0 EAADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885223818 583466331 /nfs/dbraw/zinc/46/63/31/583466331.db2.gz ITIHJJGRDAVQMR-CQSZACIVSA-N 2 1 341.456 -1.684 20 0 EAADMP CN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885223818 583466329 /nfs/dbraw/zinc/46/63/29/583466329.db2.gz ITIHJJGRDAVQMR-CQSZACIVSA-N 2 1 341.456 -1.684 20 0 EAADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(O)(COCCO)CC2)CC1 ZINC000886748910 583468805 /nfs/dbraw/zinc/46/88/05/583468805.db2.gz CMGLOEOOLUUDEI-UHFFFAOYSA-N 2 1 329.441 -1.014 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000891871451 583178510 /nfs/dbraw/zinc/17/85/10/583178510.db2.gz MKFPDBYGSRGVPK-UHFFFAOYSA-N 2 1 341.456 -1.094 20 0 EAADMP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891971701 583178850 /nfs/dbraw/zinc/17/88/50/583178850.db2.gz XUPRCQAXHOVAJS-LBPRGKRZSA-N 2 1 327.429 -1.437 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000895666396 583187187 /nfs/dbraw/zinc/18/71/87/583187187.db2.gz MMOJOSZDWXUUGD-NSHDSACASA-N 2 1 340.428 -1.138 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000895666396 583187186 /nfs/dbraw/zinc/18/71/86/583187186.db2.gz MMOJOSZDWXUUGD-NSHDSACASA-N 2 1 340.428 -1.138 20 0 EAADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000897444411 583191596 /nfs/dbraw/zinc/19/15/96/583191596.db2.gz FCBUAAAFKAIIMR-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000897444411 583191595 /nfs/dbraw/zinc/19/15/95/583191595.db2.gz FCBUAAAFKAIIMR-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000897444412 583191465 /nfs/dbraw/zinc/19/14/65/583191465.db2.gz FCBUAAAFKAIIMR-ZDUSSCGKSA-N 2 1 339.440 -1.523 20 0 EAADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000897444412 583191462 /nfs/dbraw/zinc/19/14/62/583191462.db2.gz FCBUAAAFKAIIMR-ZDUSSCGKSA-N 2 1 339.440 -1.523 20 0 EAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C2 ZINC000903492099 674086359 /nfs/dbraw/zinc/08/63/59/674086359.db2.gz JMMKGKSHAOQZAP-USBNGQNGSA-N 2 1 336.392 -1.204 20 0 EAADMP O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000903511794 674087887 /nfs/dbraw/zinc/08/78/87/674087887.db2.gz ZZEAECHLZKWZDD-GASCZTMLSA-N 2 1 335.452 -1.155 20 0 EAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000903714071 674095513 /nfs/dbraw/zinc/09/55/13/674095513.db2.gz LXAZHBGVORQNQQ-OKILXGFUSA-N 2 1 349.435 -1.628 20 0 EAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCNC(=O)C1 ZINC000903714071 674095512 /nfs/dbraw/zinc/09/55/12/674095512.db2.gz LXAZHBGVORQNQQ-OKILXGFUSA-N 2 1 349.435 -1.628 20 0 EAADMP O=S(=O)(C1CN(C[C@H](O)C[NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000903786297 674097089 /nfs/dbraw/zinc/09/70/89/674097089.db2.gz HDYZYLKHZUYYDD-CYBMUJFWSA-N 2 1 332.470 -1.638 20 0 EAADMP O=S(=O)(C1CN(C[C@@H](O)C[NH+]2CCCC2)C1)N1CC[NH2+]CC1 ZINC000903786306 674097223 /nfs/dbraw/zinc/09/72/23/674097223.db2.gz HDYZYLKHZUYYDD-ZDUSSCGKSA-N 2 1 332.470 -1.638 20 0 EAADMP O=S(=O)(C1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903787773 674097716 /nfs/dbraw/zinc/09/77/16/674097716.db2.gz ZHNDDADKJKAWNI-DZGCQCFKSA-N 2 1 344.481 -1.326 20 0 EAADMP O=S(=O)(C1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903787774 674097502 /nfs/dbraw/zinc/09/75/02/674097502.db2.gz ZHNDDADKJKAWNI-HIFRSBDPSA-N 2 1 344.481 -1.326 20 0 EAADMP O=S(=O)(C1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903787775 674097641 /nfs/dbraw/zinc/09/76/41/674097641.db2.gz ZHNDDADKJKAWNI-UKRRQHHQSA-N 2 1 344.481 -1.326 20 0 EAADMP O=S(=O)(C1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903787776 674097482 /nfs/dbraw/zinc/09/74/82/674097482.db2.gz ZHNDDADKJKAWNI-ZFWWWQNUSA-N 2 1 344.481 -1.326 20 0 EAADMP O=S1(=O)NC[C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788514 674097677 /nfs/dbraw/zinc/09/76/77/674097677.db2.gz MVQPFOOLLTWRIZ-CHWSQXEVSA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788514 674097675 /nfs/dbraw/zinc/09/76/75/674097675.db2.gz MVQPFOOLLTWRIZ-CHWSQXEVSA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788515 674097596 /nfs/dbraw/zinc/09/75/96/674097596.db2.gz MVQPFOOLLTWRIZ-OLZOCXBDSA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788515 674097594 /nfs/dbraw/zinc/09/75/94/674097594.db2.gz MVQPFOOLLTWRIZ-OLZOCXBDSA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788516 674097669 /nfs/dbraw/zinc/09/76/69/674097669.db2.gz MVQPFOOLLTWRIZ-QWHCGFSZSA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788516 674097667 /nfs/dbraw/zinc/09/76/67/674097667.db2.gz MVQPFOOLLTWRIZ-QWHCGFSZSA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788517 674097541 /nfs/dbraw/zinc/09/75/41/674097541.db2.gz MVQPFOOLLTWRIZ-STQMWFEESA-N 2 1 330.454 -1.021 20 0 EAADMP O=S1(=O)NC[C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCN21 ZINC000903788517 674097538 /nfs/dbraw/zinc/09/75/38/674097538.db2.gz MVQPFOOLLTWRIZ-STQMWFEESA-N 2 1 330.454 -1.021 20 0 EAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC000903979133 674100344 /nfs/dbraw/zinc/10/03/44/674100344.db2.gz WJYVJMFDWCWNKN-OZVIIMIRSA-N 2 1 336.392 -1.204 20 0 EAADMP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973299 669324186 /nfs/dbraw/zinc/32/41/86/669324186.db2.gz PLNZAAJYHIHRJK-OEUWWYETSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973300 669324224 /nfs/dbraw/zinc/32/42/24/669324224.db2.gz PLNZAAJYHIHRJK-SZOQZIPDSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973301 669324245 /nfs/dbraw/zinc/32/42/45/669324245.db2.gz PLNZAAJYHIHRJK-UMPJEAMMSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000904973302 669324208 /nfs/dbraw/zinc/32/42/08/669324208.db2.gz PLNZAAJYHIHRJK-ZJOBFFGXSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[C@H]1F ZINC000904986124 669325796 /nfs/dbraw/zinc/32/57/96/669325796.db2.gz GVNKKPBETKRHJM-AAVRWANBSA-N 2 1 342.415 -1.058 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[C@H]1F ZINC000904986125 669325774 /nfs/dbraw/zinc/32/57/74/669325774.db2.gz GVNKKPBETKRHJM-MQYQWHSLSA-N 2 1 342.415 -1.058 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[C@H]1F ZINC000904986126 669326756 /nfs/dbraw/zinc/32/67/56/669326756.db2.gz GVNKKPBETKRHJM-SYQHCUMBSA-N 2 1 342.415 -1.058 20 0 EAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[C@H]1F ZINC000904986127 669326323 /nfs/dbraw/zinc/32/63/23/669326323.db2.gz GVNKKPBETKRHJM-YIYPIFLZSA-N 2 1 342.415 -1.058 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CCO1 ZINC000904986257 669326666 /nfs/dbraw/zinc/32/66/66/669326666.db2.gz INYRDUWXXWJOKL-HZSPNIEDSA-N 2 1 340.424 -1.770 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CCO1 ZINC000904986258 669326801 /nfs/dbraw/zinc/32/68/01/669326801.db2.gz INYRDUWXXWJOKL-MCIONIFRSA-N 2 1 340.424 -1.770 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CCO1 ZINC000904986259 669326825 /nfs/dbraw/zinc/32/68/25/669326825.db2.gz INYRDUWXXWJOKL-MGPQQGTHSA-N 2 1 340.424 -1.770 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CCO1 ZINC000904986260 669326713 /nfs/dbraw/zinc/32/67/13/669326713.db2.gz INYRDUWXXWJOKL-RDBSUJKOSA-N 2 1 340.424 -1.770 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)C[C@]2(C)C1 ZINC000904986622 669326789 /nfs/dbraw/zinc/32/67/89/669326789.db2.gz JVQGSEDSEVYDLS-RKVPGOIHSA-N 2 1 349.479 -1.097 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)C[C@]2(C)C1 ZINC000904986629 669326717 /nfs/dbraw/zinc/32/67/17/669326717.db2.gz JVQGSEDSEVYDLS-VKJFTORMSA-N 2 1 349.479 -1.097 20 0 EAADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904987183 669326683 /nfs/dbraw/zinc/32/66/83/669326683.db2.gz MYXZKTQFQVQMSR-BARDWOONSA-N 2 1 336.436 -1.278 20 0 EAADMP O=C(C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904987184 669326642 /nfs/dbraw/zinc/32/66/42/669326642.db2.gz MYXZKTQFQVQMSR-LJISPDSOSA-N 2 1 336.436 -1.278 20 0 EAADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904987185 669326795 /nfs/dbraw/zinc/32/67/95/669326795.db2.gz MYXZKTQFQVQMSR-LXTVHRRPSA-N 2 1 336.436 -1.278 20 0 EAADMP O=C(C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904987186 669326777 /nfs/dbraw/zinc/32/67/77/669326777.db2.gz MYXZKTQFQVQMSR-XGUBFFRZSA-N 2 1 336.436 -1.278 20 0 EAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904988389 669326673 /nfs/dbraw/zinc/32/66/73/669326673.db2.gz SVCBGRCHZYLVDL-CWVKQELPSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904988391 669326529 /nfs/dbraw/zinc/32/65/29/669326529.db2.gz SVCBGRCHZYLVDL-DLOXAQCQSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904988393 669326607 /nfs/dbraw/zinc/32/66/07/669326607.db2.gz SVCBGRCHZYLVDL-YRTQGLMCSA-N 2 1 336.436 -1.006 20 0 EAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904988395 669326728 /nfs/dbraw/zinc/32/67/28/669326728.db2.gz SVCBGRCHZYLVDL-YXXKGXSTSA-N 2 1 336.436 -1.006 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904989583 669326631 /nfs/dbraw/zinc/32/66/31/669326631.db2.gz ZVKMYPZJBDKSLP-KBPBESRZSA-N 2 1 342.440 -1.522 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904989585 669326423 /nfs/dbraw/zinc/32/64/23/669326423.db2.gz ZVKMYPZJBDKSLP-KGLIPLIRSA-N 2 1 342.440 -1.522 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904989586 669326764 /nfs/dbraw/zinc/32/67/64/669326764.db2.gz ZVKMYPZJBDKSLP-UONOGXRCSA-N 2 1 342.440 -1.522 20 0 EAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904989587 669326735 /nfs/dbraw/zinc/32/67/35/669326735.db2.gz ZVKMYPZJBDKSLP-ZIAGYGMSSA-N 2 1 342.440 -1.522 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)C[C@]2(C)C1 ZINC000904991904 669326501 /nfs/dbraw/zinc/32/65/01/669326501.db2.gz YSIVHVNKZJUIFJ-RKVPGOIHSA-N 2 1 349.479 -1.097 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)C[C@]2(C)C1 ZINC000904991905 669326618 /nfs/dbraw/zinc/32/66/18/669326618.db2.gz YSIVHVNKZJUIFJ-VKJFTORMSA-N 2 1 349.479 -1.097 20 0 EAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000904994967 669326688 /nfs/dbraw/zinc/32/66/88/669326688.db2.gz NATPUBRZMAJOPV-HZSPNIEDSA-N 2 1 340.424 -1.899 20 0 EAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000904994971 669326472 /nfs/dbraw/zinc/32/64/72/669326472.db2.gz NATPUBRZMAJOPV-MELADBBJSA-N 2 1 340.424 -1.899 20 0 EAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000905021914 669327712 /nfs/dbraw/zinc/32/77/12/669327712.db2.gz OSMGDYVKYZYZPS-RWMBFGLXSA-N 2 1 326.397 -2.289 20 0 EAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000905021924 669327481 /nfs/dbraw/zinc/32/74/81/669327481.db2.gz OSMGDYVKYZYZPS-YNEHKIRRSA-N 2 1 326.397 -2.289 20 0 EAADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000906081616 669331501 /nfs/dbraw/zinc/33/15/01/669331501.db2.gz GPEIZQKCJVLTDO-UHFFFAOYSA-N 2 1 325.457 -1.288 20 0 EAADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000910732656 669387065 /nfs/dbraw/zinc/38/70/65/669387065.db2.gz SUDXMBSUACUUSY-CYBMUJFWSA-N 2 1 339.440 -1.571 20 0 EAADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000910732656 669387058 /nfs/dbraw/zinc/38/70/58/669387058.db2.gz SUDXMBSUACUUSY-CYBMUJFWSA-N 2 1 339.440 -1.571 20 0 EAADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000910732663 669386647 /nfs/dbraw/zinc/38/66/47/669386647.db2.gz SUDXMBSUACUUSY-ZDUSSCGKSA-N 2 1 339.440 -1.571 20 0 EAADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000910732663 669386644 /nfs/dbraw/zinc/38/66/44/669386644.db2.gz SUDXMBSUACUUSY-ZDUSSCGKSA-N 2 1 339.440 -1.571 20 0 EAADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C[C@]2(C)C1 ZINC000910734182 669386777 /nfs/dbraw/zinc/38/67/77/669386777.db2.gz ASNQFCZEOXLFEC-OEUWWYETSA-N 2 1 336.436 -1.326 20 0 EAADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)C[C@]2(C)C1 ZINC000910734182 669386772 /nfs/dbraw/zinc/38/67/72/669386772.db2.gz ASNQFCZEOXLFEC-OEUWWYETSA-N 2 1 336.436 -1.326 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)C[C@]2(C)C1 ZINC000910734182 669386767 /nfs/dbraw/zinc/38/67/67/669386767.db2.gz ASNQFCZEOXLFEC-OEUWWYETSA-N 2 1 336.436 -1.326 20 0 EAADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911014394 669400679 /nfs/dbraw/zinc/40/06/79/669400679.db2.gz JVUHPAGSLDEYNF-AWEZNQCLSA-N 2 1 325.457 -1.144 20 0 EAADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911014395 669400461 /nfs/dbraw/zinc/40/04/61/669400461.db2.gz JVUHPAGSLDEYNF-CQSZACIVSA-N 2 1 325.457 -1.144 20 0 EAADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CC1 ZINC000911016281 669400319 /nfs/dbraw/zinc/40/03/19/669400319.db2.gz BVXTYRUSRXUANN-UHFFFAOYSA-N 2 1 325.457 -1.002 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911029052 669400414 /nfs/dbraw/zinc/40/04/14/669400414.db2.gz BJUICDFBTNATRH-CKEIUWERSA-N 2 1 337.468 -1.003 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911029053 669400300 /nfs/dbraw/zinc/40/03/00/669400300.db2.gz BJUICDFBTNATRH-JJRVBVJISA-N 2 1 337.468 -1.003 20 0 EAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911030990 669400365 /nfs/dbraw/zinc/40/03/65/669400365.db2.gz OEUZXBVCLNCOEK-KBPBESRZSA-N 2 1 341.456 -1.815 20 0 EAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911030991 669400168 /nfs/dbraw/zinc/40/01/68/669400168.db2.gz OEUZXBVCLNCOEK-KGLIPLIRSA-N 2 1 341.456 -1.815 20 0 EAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911030992 669400662 /nfs/dbraw/zinc/40/06/62/669400662.db2.gz OEUZXBVCLNCOEK-UONOGXRCSA-N 2 1 341.456 -1.815 20 0 EAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911030993 669400592 /nfs/dbraw/zinc/40/05/92/669400592.db2.gz OEUZXBVCLNCOEK-ZIAGYGMSSA-N 2 1 341.456 -1.815 20 0 EAADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000911031652 669400623 /nfs/dbraw/zinc/40/06/23/669400623.db2.gz SDIDOTZLNVOUCG-KBPBESRZSA-N 2 1 325.457 -1.051 20 0 EAADMP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000911031653 669400087 /nfs/dbraw/zinc/40/00/87/669400087.db2.gz SDIDOTZLNVOUCG-UONOGXRCSA-N 2 1 325.457 -1.051 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911032428 669400277 /nfs/dbraw/zinc/40/02/77/669400277.db2.gz UZYVXGNESXFQCW-KBPBESRZSA-N 2 1 325.457 -1.003 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911032429 669400533 /nfs/dbraw/zinc/40/05/33/669400533.db2.gz UZYVXGNESXFQCW-KGLIPLIRSA-N 2 1 325.457 -1.003 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911032430 669400515 /nfs/dbraw/zinc/40/05/15/669400515.db2.gz UZYVXGNESXFQCW-UONOGXRCSA-N 2 1 325.457 -1.003 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911032431 669400564 /nfs/dbraw/zinc/40/05/64/669400564.db2.gz UZYVXGNESXFQCW-ZIAGYGMSSA-N 2 1 325.457 -1.003 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000911033808 669401162 /nfs/dbraw/zinc/40/11/62/669401162.db2.gz LABSWCNFIYGTIQ-UMVBOHGHSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000911033808 669401158 /nfs/dbraw/zinc/40/11/58/669401158.db2.gz LABSWCNFIYGTIQ-UMVBOHGHSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000911033809 669401331 /nfs/dbraw/zinc/40/13/31/669401331.db2.gz LABSWCNFIYGTIQ-VNHYZAJKSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000911033809 669401327 /nfs/dbraw/zinc/40/13/27/669401327.db2.gz LABSWCNFIYGTIQ-VNHYZAJKSA-N 2 1 337.468 -1.005 20 0 EAADMP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000911067186 669402021 /nfs/dbraw/zinc/40/20/21/669402021.db2.gz DCMIPHNRTCBJTA-CYBMUJFWSA-N 2 1 325.457 -1.018 20 0 EAADMP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000911067187 669402373 /nfs/dbraw/zinc/40/23/73/669402373.db2.gz DCMIPHNRTCBJTA-ZDUSSCGKSA-N 2 1 325.457 -1.018 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1[NH3+] ZINC000911095550 669402975 /nfs/dbraw/zinc/40/29/75/669402975.db2.gz CEJLMRJFCXMSDR-CHWSQXEVSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000911096252 669403026 /nfs/dbraw/zinc/40/30/26/669403026.db2.gz IRFBQJLVZJPTPW-CHWSQXEVSA-N 2 1 325.457 -1.147 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000911099364 669402925 /nfs/dbraw/zinc/40/29/25/669402925.db2.gz MBOSJCLRIQWAMR-TZMCWYRMSA-N 2 1 325.457 -1.147 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1[NH3+] ZINC000911100451 669403651 /nfs/dbraw/zinc/40/36/51/669403651.db2.gz GSGJNJHGXBKKSC-TZMCWYRMSA-N 2 1 325.457 -1.066 20 0 EAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147469 669405303 /nfs/dbraw/zinc/40/53/03/669405303.db2.gz IRVILMGMYSYMKJ-KBPBESRZSA-N 2 1 339.440 -2.013 20 0 EAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147470 669405321 /nfs/dbraw/zinc/40/53/21/669405321.db2.gz IRVILMGMYSYMKJ-KGLIPLIRSA-N 2 1 339.440 -2.013 20 0 EAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147471 669405280 /nfs/dbraw/zinc/40/52/80/669405280.db2.gz IRVILMGMYSYMKJ-UONOGXRCSA-N 2 1 339.440 -2.013 20 0 EAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911147472 669405223 /nfs/dbraw/zinc/40/52/23/669405223.db2.gz IRVILMGMYSYMKJ-ZIAGYGMSSA-N 2 1 339.440 -2.013 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC000911148919 669405622 /nfs/dbraw/zinc/40/56/22/669405622.db2.gz BGRYIVPPNARXGW-CYBMUJFWSA-N 2 1 339.440 -1.536 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC000911148928 669405682 /nfs/dbraw/zinc/40/56/82/669405682.db2.gz BGRYIVPPNARXGW-ZDUSSCGKSA-N 2 1 339.440 -1.536 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000911149143 669405600 /nfs/dbraw/zinc/40/56/00/669405600.db2.gz DPSVZGIDLZAWSX-VXGBXAGGSA-N 2 1 325.413 -1.928 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000911149234 669405424 /nfs/dbraw/zinc/40/54/24/669405424.db2.gz GMWJZYRWNZTUDV-VXGBXAGGSA-N 2 1 325.413 -2.009 20 0 EAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911149675 669405265 /nfs/dbraw/zinc/40/52/65/669405265.db2.gz YMDDXPLRJLPWOV-HZSPNIEDSA-N 2 1 340.424 -1.587 20 0 EAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911149676 669405346 /nfs/dbraw/zinc/40/53/46/669405346.db2.gz YMDDXPLRJLPWOV-IHRRRGAJSA-N 2 1 340.424 -1.587 20 0 EAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000911149677 669405542 /nfs/dbraw/zinc/40/55/42/669405542.db2.gz YMDDXPLRJLPWOV-MELADBBJSA-N 2 1 340.424 -1.587 20 0 EAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000911149678 669405505 /nfs/dbraw/zinc/40/55/05/669405505.db2.gz YMDDXPLRJLPWOV-RDBSUJKOSA-N 2 1 340.424 -1.587 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000911149758 669405391 /nfs/dbraw/zinc/40/53/91/669405391.db2.gz LHGALDNVZXUTHW-OLZOCXBDSA-N 2 1 339.440 -1.762 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911149812 669405186 /nfs/dbraw/zinc/40/51/86/669405186.db2.gz MWVACIVKVBRUPE-LBPRGKRZSA-N 2 1 325.413 -1.784 20 0 EAADMP C[NH2+]CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000911149834 669405364 /nfs/dbraw/zinc/40/53/64/669405364.db2.gz NUPKXZLQMCCGCL-UHFFFAOYSA-N 2 1 341.456 -1.277 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911149896 669405408 /nfs/dbraw/zinc/40/54/08/669405408.db2.gz PTCZXKNPIXOVHM-FRRDWIJNSA-N 2 1 337.424 -1.724 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911149897 669405635 /nfs/dbraw/zinc/40/56/35/669405635.db2.gz PTCZXKNPIXOVHM-YNEHKIRRSA-N 2 1 337.424 -1.724 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911150283 669405494 /nfs/dbraw/zinc/40/54/94/669405494.db2.gz XBCGYDMNXYTSEF-GFCCVEGCSA-N 2 1 339.440 -1.538 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911150284 669405378 /nfs/dbraw/zinc/40/53/78/669405378.db2.gz XBCGYDMNXYTSEF-LBPRGKRZSA-N 2 1 339.440 -1.538 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911150442 669405714 /nfs/dbraw/zinc/40/57/14/669405714.db2.gz YHNMKCYUMIDUEW-GFCCVEGCSA-N 2 1 339.440 -1.619 20 0 EAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911150443 669405673 /nfs/dbraw/zinc/40/56/73/669405673.db2.gz YHNMKCYUMIDUEW-LBPRGKRZSA-N 2 1 339.440 -1.619 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911154877 669405482 /nfs/dbraw/zinc/40/54/82/669405482.db2.gz GOELQNIVNVFOIU-UHFFFAOYSA-N 2 1 330.429 -1.353 20 0 EAADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911155809 669405208 /nfs/dbraw/zinc/40/52/08/669405208.db2.gz LZIPKRWQCDLMTQ-UHFFFAOYSA-N 2 1 329.445 -1.780 20 0 EAADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911161513 669406247 /nfs/dbraw/zinc/40/62/47/669406247.db2.gz LCPICCORNGACFG-AWEZNQCLSA-N 2 1 325.457 -1.144 20 0 EAADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911161514 669406190 /nfs/dbraw/zinc/40/61/90/669406190.db2.gz LCPICCORNGACFG-CQSZACIVSA-N 2 1 325.457 -1.144 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000911162592 669406106 /nfs/dbraw/zinc/40/61/06/669406106.db2.gz QPNTXCMIEFVXBV-GXTWGEPZSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1C[N@H+](C)CCO1 ZINC000911162592 669406100 /nfs/dbraw/zinc/40/61/00/669406100.db2.gz QPNTXCMIEFVXBV-GXTWGEPZSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911162593 669406118 /nfs/dbraw/zinc/40/61/18/669406118.db2.gz QPNTXCMIEFVXBV-JSGCOSHPSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000911162593 669406113 /nfs/dbraw/zinc/40/61/13/669406113.db2.gz QPNTXCMIEFVXBV-JSGCOSHPSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000911162594 669406315 /nfs/dbraw/zinc/40/63/15/669406315.db2.gz QPNTXCMIEFVXBV-OCCSQVGLSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000911162594 669406313 /nfs/dbraw/zinc/40/63/13/669406313.db2.gz QPNTXCMIEFVXBV-OCCSQVGLSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000911162595 669406204 /nfs/dbraw/zinc/40/62/04/669406204.db2.gz QPNTXCMIEFVXBV-TZMCWYRMSA-N 2 1 341.456 -1.639 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1C[N@H+](C)CCO1 ZINC000911162595 669406200 /nfs/dbraw/zinc/40/62/00/669406200.db2.gz QPNTXCMIEFVXBV-TZMCWYRMSA-N 2 1 341.456 -1.639 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911178240 669407807 /nfs/dbraw/zinc/40/78/07/669407807.db2.gz ZJZARHSXLYYBGM-UHFFFAOYSA-N 2 1 329.445 -1.908 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911193001 669407055 /nfs/dbraw/zinc/40/70/55/669407055.db2.gz GGUZCLFYDVEAGK-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911193002 669406919 /nfs/dbraw/zinc/40/69/19/669406919.db2.gz GGUZCLFYDVEAGK-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911193003 669407099 /nfs/dbraw/zinc/40/70/99/669407099.db2.gz GGUZCLFYDVEAGK-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911193004 669407004 /nfs/dbraw/zinc/40/70/04/669407004.db2.gz GGUZCLFYDVEAGK-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911196891 669409412 /nfs/dbraw/zinc/40/94/12/669409412.db2.gz YQZANSINUNUPLV-AWEZNQCLSA-N 2 1 341.456 -1.765 20 0 EAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911196896 669409288 /nfs/dbraw/zinc/40/92/88/669409288.db2.gz YQZANSINUNUPLV-CQSZACIVSA-N 2 1 341.456 -1.765 20 0 EAADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911209979 669408464 /nfs/dbraw/zinc/40/84/64/669408464.db2.gz OYMMIJAQAZSCNT-AWEZNQCLSA-N 2 1 325.457 -1.002 20 0 EAADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911209980 669408573 /nfs/dbraw/zinc/40/85/73/669408573.db2.gz OYMMIJAQAZSCNT-CQSZACIVSA-N 2 1 325.457 -1.002 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911230557 669410691 /nfs/dbraw/zinc/41/06/91/669410691.db2.gz ICMUDFLKNHTSFO-UHFFFAOYSA-N 2 1 329.445 -1.908 20 0 EAADMP C[N@@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C1CCCC1 ZINC000911235896 669409423 /nfs/dbraw/zinc/40/94/23/669409423.db2.gz KKHQMBNPIMEHRM-UHFFFAOYSA-N 2 1 325.457 -1.002 20 0 EAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911239542 669409472 /nfs/dbraw/zinc/40/94/72/669409472.db2.gz BJOXNRRKIAEGDV-CYBMUJFWSA-N 2 1 342.440 -1.210 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911239545 669409300 /nfs/dbraw/zinc/40/93/00/669409300.db2.gz BJOXNRRKIAEGDV-ZDUSSCGKSA-N 2 1 342.440 -1.210 20 0 EAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000911240195 669409442 /nfs/dbraw/zinc/40/94/42/669409442.db2.gz HVCWIBKPTZVBLT-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000911240196 669409216 /nfs/dbraw/zinc/40/92/16/669409216.db2.gz HVCWIBKPTZVBLT-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000911240197 669409348 /nfs/dbraw/zinc/40/93/48/669409348.db2.gz HVCWIBKPTZVBLT-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000911240199 669409079 /nfs/dbraw/zinc/40/90/79/669409079.db2.gz HVCWIBKPTZVBLT-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911242165 669410013 /nfs/dbraw/zinc/41/00/13/669410013.db2.gz OXMRANRKWKVAPZ-CYBMUJFWSA-N 2 1 327.429 -2.155 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911242166 669410280 /nfs/dbraw/zinc/41/02/80/669410280.db2.gz OXMRANRKWKVAPZ-ZDUSSCGKSA-N 2 1 327.429 -2.155 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911243713 669410446 /nfs/dbraw/zinc/41/04/46/669410446.db2.gz YWHCMXAYOOATHW-AWEZNQCLSA-N 2 1 341.456 -1.637 20 0 EAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911243714 669410151 /nfs/dbraw/zinc/41/01/51/669410151.db2.gz YWHCMXAYOOATHW-CQSZACIVSA-N 2 1 341.456 -1.637 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000911267850 669412389 /nfs/dbraw/zinc/41/23/89/669412389.db2.gz AFTUOPNZKRGHAK-BFHYXJOUSA-N 2 1 325.457 -1.290 20 0 EAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000911267863 669412519 /nfs/dbraw/zinc/41/25/19/669412519.db2.gz AFTUOPNZKRGHAK-MGPQQGTHSA-N 2 1 325.457 -1.290 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000911268352 669412427 /nfs/dbraw/zinc/41/24/27/669412427.db2.gz DMDGAABDIBCERL-BFHYXJOUSA-N 2 1 325.457 -1.208 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000911268693 669412253 /nfs/dbraw/zinc/41/22/53/669412253.db2.gz DMDGAABDIBCERL-MGPQQGTHSA-N 2 1 325.457 -1.208 20 0 EAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911269018 669411283 /nfs/dbraw/zinc/41/12/83/669411283.db2.gz GYWBGSWVAKDKNR-CYBMUJFWSA-N 2 1 325.457 -1.016 20 0 EAADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911269019 669410902 /nfs/dbraw/zinc/41/09/02/669410902.db2.gz GYWBGSWVAKDKNR-ZDUSSCGKSA-N 2 1 325.457 -1.016 20 0 EAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)CN1CC[NH+](C)CC1 ZINC000911269728 669410942 /nfs/dbraw/zinc/41/09/42/669410942.db2.gz OTSQMTKAGFQRJB-APIJFGDWSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)CN1CC[NH+](C)CC1 ZINC000911269729 669411321 /nfs/dbraw/zinc/41/13/21/669411321.db2.gz OTSQMTKAGFQRJB-BYNSBNAKSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)CN1CC[NH+](C)CC1 ZINC000911269730 669410859 /nfs/dbraw/zinc/41/08/59/669410859.db2.gz OTSQMTKAGFQRJB-LJISPDSOSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)CN1CC[NH+](C)CC1 ZINC000911269731 669410787 /nfs/dbraw/zinc/41/07/87/669410787.db2.gz OTSQMTKAGFQRJB-LXTVHRRPSA-N 2 1 337.468 -1.005 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000911270064 669410994 /nfs/dbraw/zinc/41/09/94/669410994.db2.gz ROBKWYYDTLZQRJ-KBPBESRZSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC000911270065 669411009 /nfs/dbraw/zinc/41/10/09/669411009.db2.gz ROBKWYYDTLZQRJ-KGLIPLIRSA-N 2 1 325.457 -1.064 20 0 EAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000911272453 669411141 /nfs/dbraw/zinc/41/11/41/669411141.db2.gz AZCMPCLKZNXSIT-UHFFFAOYSA-N 2 1 325.457 -1.144 20 0 EAADMP Cc1cccc(NCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)[nH+]1 ZINC000911272465 669410828 /nfs/dbraw/zinc/41/08/28/669410828.db2.gz BHLWAUFWXGZHQO-UHFFFAOYSA-N 2 1 334.424 -1.060 20 0 EAADMP Cc1ccc(NCCNC(=O)C(=O)NCCN2CC[NH2+]CC2)[nH+]c1 ZINC000911272476 669411102 /nfs/dbraw/zinc/41/11/02/669411102.db2.gz BOZYKAQLQXTZOP-UHFFFAOYSA-N 2 1 334.424 -1.060 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911274392 669411707 /nfs/dbraw/zinc/41/17/07/669411707.db2.gz QEFGMERAWVZIMJ-WBMJQRKESA-N 2 1 337.424 -2.056 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)C[C@]2(C)C1 ZINC000911275120 669411799 /nfs/dbraw/zinc/41/17/99/669411799.db2.gz VIUMNVKOZMFIQB-PBHICJAKSA-N 2 1 337.468 -1.192 20 0 EAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000911275172 669411806 /nfs/dbraw/zinc/41/18/06/669411806.db2.gz VWUOPXIHKKAVQZ-UHFFFAOYSA-N 2 1 339.440 -1.618 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911305012 669413545 /nfs/dbraw/zinc/41/35/45/669413545.db2.gz DXCPGDYGMIDFQR-GHMZBOCLSA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911305012 669413538 /nfs/dbraw/zinc/41/35/38/669413538.db2.gz DXCPGDYGMIDFQR-GHMZBOCLSA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911305033 669413857 /nfs/dbraw/zinc/41/38/57/669413857.db2.gz DXCPGDYGMIDFQR-MNOVXSKESA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911305033 669413855 /nfs/dbraw/zinc/41/38/55/669413855.db2.gz DXCPGDYGMIDFQR-MNOVXSKESA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911305034 669413917 /nfs/dbraw/zinc/41/39/17/669413917.db2.gz DXCPGDYGMIDFQR-QWRGUYRKSA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911305034 669413914 /nfs/dbraw/zinc/41/39/14/669413914.db2.gz DXCPGDYGMIDFQR-QWRGUYRKSA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911305035 669413887 /nfs/dbraw/zinc/41/38/87/669413887.db2.gz DXCPGDYGMIDFQR-WDEREUQCSA-N 2 1 334.367 -1.246 20 0 EAADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911305035 669413886 /nfs/dbraw/zinc/41/38/86/669413886.db2.gz DXCPGDYGMIDFQR-WDEREUQCSA-N 2 1 334.367 -1.246 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911306803 669413896 /nfs/dbraw/zinc/41/38/96/669413896.db2.gz QIGNIPHIRZKUDM-KBPBESRZSA-N 2 1 342.440 -1.604 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911306824 669413871 /nfs/dbraw/zinc/41/38/71/669413871.db2.gz QIGNIPHIRZKUDM-KGLIPLIRSA-N 2 1 342.440 -1.604 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911306827 669413789 /nfs/dbraw/zinc/41/37/89/669413789.db2.gz QIGNIPHIRZKUDM-UONOGXRCSA-N 2 1 342.440 -1.604 20 0 EAADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911306830 669413776 /nfs/dbraw/zinc/41/37/76/669413776.db2.gz QIGNIPHIRZKUDM-ZIAGYGMSSA-N 2 1 342.440 -1.604 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911311543 669414334 /nfs/dbraw/zinc/41/43/34/669414334.db2.gz RMQAPVZVSZLTKB-AVGNSLFASA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911311543 669414330 /nfs/dbraw/zinc/41/43/30/669414330.db2.gz RMQAPVZVSZLTKB-AVGNSLFASA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911311544 669414425 /nfs/dbraw/zinc/41/44/25/669414425.db2.gz RMQAPVZVSZLTKB-RWMBFGLXSA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911311544 669414421 /nfs/dbraw/zinc/41/44/21/669414421.db2.gz RMQAPVZVSZLTKB-RWMBFGLXSA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911311546 669414411 /nfs/dbraw/zinc/41/44/11/669414411.db2.gz RMQAPVZVSZLTKB-XQQFMLRXSA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911311546 669414407 /nfs/dbraw/zinc/41/44/07/669414407.db2.gz RMQAPVZVSZLTKB-XQQFMLRXSA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911311547 669414213 /nfs/dbraw/zinc/41/42/13/669414213.db2.gz RMQAPVZVSZLTKB-YNEHKIRRSA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911311547 669414208 /nfs/dbraw/zinc/41/42/08/669414208.db2.gz RMQAPVZVSZLTKB-YNEHKIRRSA-N 2 1 342.465 -1.213 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911312304 669415115 /nfs/dbraw/zinc/41/51/15/669415115.db2.gz WJAOCNHBCLGCEM-BFHYXJOUSA-N 2 1 340.424 -1.851 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911312307 669414990 /nfs/dbraw/zinc/41/49/90/669414990.db2.gz WJAOCNHBCLGCEM-IHRRRGAJSA-N 2 1 340.424 -1.851 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911312310 669415044 /nfs/dbraw/zinc/41/50/44/669415044.db2.gz WJAOCNHBCLGCEM-MELADBBJSA-N 2 1 340.424 -1.851 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911312312 669414944 /nfs/dbraw/zinc/41/49/44/669414944.db2.gz WJAOCNHBCLGCEM-MJBXVCDLSA-N 2 1 340.424 -1.851 20 0 EAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911336748 669414248 /nfs/dbraw/zinc/41/42/48/669414248.db2.gz MSFWSAOAWBMYDZ-CWVKQELPSA-N 2 1 336.436 -1.088 20 0 EAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911336749 669414519 /nfs/dbraw/zinc/41/45/19/669414519.db2.gz MSFWSAOAWBMYDZ-DLOXAQCQSA-N 2 1 336.436 -1.088 20 0 EAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911336750 669414282 /nfs/dbraw/zinc/41/42/82/669414282.db2.gz MSFWSAOAWBMYDZ-YRTQGLMCSA-N 2 1 336.436 -1.088 20 0 EAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911336751 669414570 /nfs/dbraw/zinc/41/45/70/669414570.db2.gz MSFWSAOAWBMYDZ-YXXKGXSTSA-N 2 1 336.436 -1.088 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911344657 669416579 /nfs/dbraw/zinc/41/65/79/669416579.db2.gz BPFHBMIQFMLOGK-KBPBESRZSA-N 2 1 342.440 -1.604 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911344658 669416363 /nfs/dbraw/zinc/41/63/63/669416363.db2.gz BPFHBMIQFMLOGK-KGLIPLIRSA-N 2 1 342.440 -1.604 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911344659 669416465 /nfs/dbraw/zinc/41/64/65/669416465.db2.gz BPFHBMIQFMLOGK-UONOGXRCSA-N 2 1 342.440 -1.604 20 0 EAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911344661 669416387 /nfs/dbraw/zinc/41/63/87/669416387.db2.gz BPFHBMIQFMLOGK-ZIAGYGMSSA-N 2 1 342.440 -1.604 20 0 EAADMP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911345204 669417298 /nfs/dbraw/zinc/41/72/98/669417298.db2.gz GQJZFZKLUJVWCT-RDBSUJKOSA-N 2 1 340.424 -1.851 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000911374761 669419839 /nfs/dbraw/zinc/41/98/39/669419839.db2.gz NRWVRKJLKPSJQD-ZIAGYGMSSA-N 2 1 325.457 -1.194 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000911375402 669419648 /nfs/dbraw/zinc/41/96/48/669419648.db2.gz WNUGBTUUNJDTOA-QLFBSQMISA-N 2 1 337.468 -1.051 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000911375403 669419788 /nfs/dbraw/zinc/41/97/88/669419788.db2.gz WNUGBTUUNJDTOA-RBSFLKMASA-N 2 1 337.468 -1.051 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000911377925 669419852 /nfs/dbraw/zinc/41/98/52/669419852.db2.gz IHBOAULFCUGLLQ-OLZOCXBDSA-N 2 1 326.441 -1.127 20 0 EAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)C[C@]2(C)C1 ZINC000911411896 669421813 /nfs/dbraw/zinc/42/18/13/669421813.db2.gz VHVRQIOEFSDXNU-DYVFJYSZSA-N 2 1 337.468 -1.064 20 0 EAADMP [NH3+]C1CCN(CCNC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000911413942 669421653 /nfs/dbraw/zinc/42/16/53/669421653.db2.gz WWKYKEAUMLZCNN-UHFFFAOYSA-N 2 1 343.497 -1.309 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCO1 ZINC000911417627 669420530 /nfs/dbraw/zinc/42/05/30/669420530.db2.gz AWKRTBWZHPEWRK-AGIUHOORSA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCO1 ZINC000911417627 669420529 /nfs/dbraw/zinc/42/05/29/669420529.db2.gz AWKRTBWZHPEWRK-AGIUHOORSA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCO1 ZINC000911417645 669420521 /nfs/dbraw/zinc/42/05/21/669420521.db2.gz AWKRTBWZHPEWRK-FRRDWIJNSA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCO1 ZINC000911417645 669420519 /nfs/dbraw/zinc/42/05/19/669420519.db2.gz AWKRTBWZHPEWRK-FRRDWIJNSA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCO1 ZINC000911417648 669420592 /nfs/dbraw/zinc/42/05/92/669420592.db2.gz AWKRTBWZHPEWRK-JHJVBQTASA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCO1 ZINC000911417648 669420590 /nfs/dbraw/zinc/42/05/90/669420590.db2.gz AWKRTBWZHPEWRK-JHJVBQTASA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCO1 ZINC000911417650 669420429 /nfs/dbraw/zinc/42/04/29/669420429.db2.gz AWKRTBWZHPEWRK-UPJWGTAASA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCO1 ZINC000911417650 669420421 /nfs/dbraw/zinc/42/04/21/669420421.db2.gz AWKRTBWZHPEWRK-UPJWGTAASA-N 2 1 342.465 -1.132 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911421854 669423763 /nfs/dbraw/zinc/42/37/63/669423763.db2.gz XCCDRGFDWMDZKA-NEPJUHHUSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911421854 669423761 /nfs/dbraw/zinc/42/37/61/669423761.db2.gz XCCDRGFDWMDZKA-NEPJUHHUSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911421855 669423781 /nfs/dbraw/zinc/42/37/81/669423781.db2.gz XCCDRGFDWMDZKA-NWDGAFQWSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911421855 669423778 /nfs/dbraw/zinc/42/37/78/669423778.db2.gz XCCDRGFDWMDZKA-NWDGAFQWSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000911421856 669423425 /nfs/dbraw/zinc/42/34/25/669423425.db2.gz XCCDRGFDWMDZKA-RYUDHWBXSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000911421856 669423422 /nfs/dbraw/zinc/42/34/22/669423422.db2.gz XCCDRGFDWMDZKA-RYUDHWBXSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000911421857 669423610 /nfs/dbraw/zinc/42/36/10/669423610.db2.gz XCCDRGFDWMDZKA-VXGBXAGGSA-N 2 1 330.454 -1.538 20 0 EAADMP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000911421857 669423607 /nfs/dbraw/zinc/42/36/07/669423607.db2.gz XCCDRGFDWMDZKA-VXGBXAGGSA-N 2 1 330.454 -1.538 20 0 EAADMP O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000911432738 669421736 /nfs/dbraw/zinc/42/17/36/669421736.db2.gz QZCBGRBAKXRSBH-ZOMKSWQUSA-N 2 1 336.436 -1.088 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506328 669427619 /nfs/dbraw/zinc/42/76/19/669427619.db2.gz ZMZQGZHCGAOBAG-GFCCVEGCSA-N 2 1 337.424 -1.641 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506329 669427914 /nfs/dbraw/zinc/42/79/14/669427914.db2.gz ZMZQGZHCGAOBAG-LBPRGKRZSA-N 2 1 337.424 -1.641 20 0 EAADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911531986 669428575 /nfs/dbraw/zinc/42/85/75/669428575.db2.gz IFRCNFZGFHIJFC-UHFFFAOYSA-N 2 1 325.457 -1.144 20 0 EAADMP CN1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000911533253 669428408 /nfs/dbraw/zinc/42/84/08/669428408.db2.gz OIPAXAZVLUBMIM-CYBMUJFWSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CCN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000911533254 669428386 /nfs/dbraw/zinc/42/83/86/669428386.db2.gz OIPAXAZVLUBMIM-ZDUSSCGKSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CC[N@@H+](C)CC(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000911876135 669438635 /nfs/dbraw/zinc/43/86/35/669438635.db2.gz XZBPMZQAWOOLKG-UHFFFAOYSA-N 2 1 325.457 -1.288 20 0 EAADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000912463609 669449572 /nfs/dbraw/zinc/44/95/72/669449572.db2.gz ROFKYPFHKGDTIQ-UHFFFAOYSA-N 2 1 327.473 -1.042 20 0 EAADMP CN1CC[NH+](C)CC(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000912991996 669465270 /nfs/dbraw/zinc/46/52/70/669465270.db2.gz UFSKHEPTYFLVIR-AWEZNQCLSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CC[NH+](C)CC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000912991996 669465267 /nfs/dbraw/zinc/46/52/67/669465267.db2.gz UFSKHEPTYFLVIR-AWEZNQCLSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CC[N@@H+](C)CC(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000912991996 669465265 /nfs/dbraw/zinc/46/52/65/669465265.db2.gz UFSKHEPTYFLVIR-AWEZNQCLSA-N 2 1 325.457 -1.064 20 0 EAADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@]2(CO)COCC[NH2+]2)CC1 ZINC000913184853 669472069 /nfs/dbraw/zinc/47/20/69/669472069.db2.gz UPXNVFGREQNFKI-INIZCTEOSA-N 2 1 328.457 -1.130 20 0 EAADMP CC(C)[NH+]1CCN(CCC(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1 ZINC000913184854 669471787 /nfs/dbraw/zinc/47/17/87/669471787.db2.gz UPXNVFGREQNFKI-MRXNPFEDSA-N 2 1 328.457 -1.130 20 0 EAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC000913187666 669472031 /nfs/dbraw/zinc/47/20/31/669472031.db2.gz DVYBLHRYJLKHKN-DOMZBBRYSA-N 2 1 328.413 -2.136 20 0 EAADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC000913187667 669471840 /nfs/dbraw/zinc/47/18/40/669471840.db2.gz DVYBLHRYJLKHKN-IUODEOHRSA-N 2 1 328.413 -2.136 20 0 EAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2(CO)COCC[NH2+]2)CC1=O ZINC000913187668 669471651 /nfs/dbraw/zinc/47/16/51/669471651.db2.gz DVYBLHRYJLKHKN-SWLSCSKDSA-N 2 1 328.413 -2.136 20 0 EAADMP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2(CO)COCC[NH2+]2)CC1=O ZINC000913187669 669471729 /nfs/dbraw/zinc/47/17/29/669471729.db2.gz DVYBLHRYJLKHKN-WFASDCNBSA-N 2 1 328.413 -2.136 20 0 EAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(S(N)(=O)=O)C1 ZINC000923201095 669594687 /nfs/dbraw/zinc/59/46/87/669594687.db2.gz JVBMDLCKBANEFN-NSHDSACASA-N 2 1 335.474 -1.059 20 0 EAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(S(N)(=O)=O)C1 ZINC000923201095 669594686 /nfs/dbraw/zinc/59/46/86/669594686.db2.gz JVBMDLCKBANEFN-NSHDSACASA-N 2 1 335.474 -1.059 20 0 EAADMP O=C(CN1CCOCC1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923319241 669601717 /nfs/dbraw/zinc/60/17/17/669601717.db2.gz MFYABWCVZMZJST-HNNXBMFYSA-N 2 1 338.452 -1.159 20 0 EAADMP O=C(CN1CCOCC1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923319243 669601738 /nfs/dbraw/zinc/60/17/38/669601738.db2.gz MFYABWCVZMZJST-OAHLLOKOSA-N 2 1 338.452 -1.159 20 0 EAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333826 669602305 /nfs/dbraw/zinc/60/23/05/669602305.db2.gz TWRCCBLKKNCVCB-CABCVRRESA-N 2 1 328.457 -1.178 20 0 EAADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333827 669602734 /nfs/dbraw/zinc/60/27/34/669602734.db2.gz TWRCCBLKKNCVCB-GJZGRUSLSA-N 2 1 328.457 -1.178 20 0 EAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923333828 669602663 /nfs/dbraw/zinc/60/26/63/669602663.db2.gz TWRCCBLKKNCVCB-HUUCEWRRSA-N 2 1 328.457 -1.178 20 0 EAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000923333829 669602613 /nfs/dbraw/zinc/60/26/13/669602613.db2.gz TWRCCBLKKNCVCB-LSDHHAIUSA-N 2 1 328.457 -1.178 20 0 EAADMP COCC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400609 669604088 /nfs/dbraw/zinc/60/40/88/669604088.db2.gz XGIQDTIDSHFUSX-HNNXBMFYSA-N 2 1 343.472 -1.432 20 0 EAADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000923400617 669604161 /nfs/dbraw/zinc/60/41/61/669604161.db2.gz XGIQDTIDSHFUSX-OAHLLOKOSA-N 2 1 343.472 -1.432 20 0 EAADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604139 /nfs/dbraw/zinc/60/41/39/669604139.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 2 1 342.440 -1.208 20 0 EAADMP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604136 /nfs/dbraw/zinc/60/41/36/669604136.db2.gz LWRKRHCYGJSXEK-BARDWOONSA-N 2 1 342.440 -1.208 20 0 EAADMP COCC[N@@H+](C)C[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923414542 669604134 /nfs/dbraw/zinc/60/41/34/669604134.db2.gz 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338.452 -1.032 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1C ZINC000926330747 670107439 /nfs/dbraw/zinc/10/74/39/670107439.db2.gz CKJWRIMWLREUDI-APIJFGDWSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000926330833 670107378 /nfs/dbraw/zinc/10/73/78/670107378.db2.gz CKJWRIMWLREUDI-LJISPDSOSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1C ZINC000926330833 670107374 /nfs/dbraw/zinc/10/73/74/670107374.db2.gz CKJWRIMWLREUDI-LJISPDSOSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926331517 668374403 /nfs/dbraw/zinc/37/44/03/668374403.db2.gz BASDSKTYWLKZJY-AWEZNQCLSA-N 2 1 325.457 -1.050 20 0 EAADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926331521 668374760 /nfs/dbraw/zinc/37/47/60/668374760.db2.gz BASDSKTYWLKZJY-CQSZACIVSA-N 2 1 325.457 -1.050 20 0 EAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1C ZINC000926334387 670107806 /nfs/dbraw/zinc/10/78/06/670107806.db2.gz VUPCUISYMLDABV-AAVRWANBSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1C ZINC000926334387 670107803 /nfs/dbraw/zinc/10/78/03/670107803.db2.gz VUPCUISYMLDABV-AAVRWANBSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1C ZINC000926334389 670107817 /nfs/dbraw/zinc/10/78/17/670107817.db2.gz VUPCUISYMLDABV-XJFOESAGSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1C ZINC000926334389 670107814 /nfs/dbraw/zinc/10/78/14/670107814.db2.gz VUPCUISYMLDABV-XJFOESAGSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1C ZINC000926334392 670107730 /nfs/dbraw/zinc/10/77/30/670107730.db2.gz VUPCUISYMLDABV-YIYPIFLZSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@H]1C ZINC000926334392 670107726 /nfs/dbraw/zinc/10/77/26/670107726.db2.gz VUPCUISYMLDABV-YIYPIFLZSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1C ZINC000926334393 670107312 /nfs/dbraw/zinc/10/73/12/670107312.db2.gz VUPCUISYMLDABV-ZOBORPQBSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C[C@@H]1C ZINC000926334393 670107306 /nfs/dbraw/zinc/10/73/06/670107306.db2.gz VUPCUISYMLDABV-ZOBORPQBSA-N 2 1 326.441 -1.047 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C[C@H]1[NH3+] ZINC000926334624 670107455 /nfs/dbraw/zinc/10/74/55/670107455.db2.gz KLISGEOYLSQUDD-ZIAGYGMSSA-N 2 1 325.457 -1.112 20 0 EAADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349597 670107774 /nfs/dbraw/zinc/10/77/74/670107774.db2.gz IDQXSICMSMWROA-CABCVRRESA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349600 670107614 /nfs/dbraw/zinc/10/76/14/670107614.db2.gz IDQXSICMSMWROA-GJZGRUSLSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349603 668377465 /nfs/dbraw/zinc/37/74/65/668377465.db2.gz IDQXSICMSMWROA-HUUCEWRRSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926349606 668377480 /nfs/dbraw/zinc/37/74/80/668377480.db2.gz IDQXSICMSMWROA-LSDHHAIUSA-N 2 1 337.468 -1.050 20 0 EAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926350964 668377630 /nfs/dbraw/zinc/37/76/30/668377630.db2.gz DYOBVPOMJDHDAT-AWEZNQCLSA-N 2 1 325.457 -1.192 20 0 EAADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926350968 668377667 /nfs/dbraw/zinc/37/76/67/668377667.db2.gz DYOBVPOMJDHDAT-CQSZACIVSA-N 2 1 325.457 -1.192 20 0 EAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21 ZINC000926368619 670108424 /nfs/dbraw/zinc/10/84/24/670108424.db2.gz VGEHGRFPTLKPSJ-CABCVRRESA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@@H]21 ZINC000926368620 670108337 /nfs/dbraw/zinc/10/83/37/670108337.db2.gz VGEHGRFPTLKPSJ-GJZGRUSLSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21 ZINC000926368621 670108588 /nfs/dbraw/zinc/10/85/88/670108588.db2.gz VGEHGRFPTLKPSJ-HUUCEWRRSA-N 2 1 337.468 -1.050 20 0 EAADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC[C@H]21 ZINC000926368622 670108567 /nfs/dbraw/zinc/10/85/67/670108567.db2.gz VGEHGRFPTLKPSJ-LSDHHAIUSA-N 2 1 337.468 -1.050 20 0 EAADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926379296 670108372 /nfs/dbraw/zinc/10/83/72/670108372.db2.gz GFAIOZHFQROSPB-AWEZNQCLSA-N 2 1 325.457 -1.051 20 0 EAADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926379298 670108104 /nfs/dbraw/zinc/10/81/04/670108104.db2.gz GFAIOZHFQROSPB-CQSZACIVSA-N 2 1 325.457 -1.051 20 0 EAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CCC1(C)C ZINC000926389068 668387287 /nfs/dbraw/zinc/38/72/87/668387287.db2.gz DCMRPPULGBMDJD-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)[N@@H+](C)C1 ZINC000926406203 670109071 /nfs/dbraw/zinc/10/90/71/670109071.db2.gz HTGBWFNMTKJZQM-KBPBESRZSA-N 2 1 341.456 -1.815 20 0 EAADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1 ZINC000926407669 668391808 /nfs/dbraw/zinc/39/18/08/668391808.db2.gz OXQWWVJEXAEXJE-KRWDZBQOSA-N 2 1 337.468 -1.048 20 0 EAADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)C2)C1 ZINC000926407671 668391923 /nfs/dbraw/zinc/39/19/23/668391923.db2.gz OXQWWVJEXAEXJE-QGZVFWFLSA-N 2 1 337.468 -1.048 20 0 EAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)[N@@H+](C)C1 ZINC000926408183 670109017 /nfs/dbraw/zinc/10/90/17/670109017.db2.gz BHTPFXWBKDMLOE-HEHGZKQESA-N 2 1 342.440 -1.524 20 0 EAADMP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)[N@@H+](C)C1 ZINC000926408190 670109030 /nfs/dbraw/zinc/10/90/30/670109030.db2.gz BHTPFXWBKDMLOE-XEZPLFJOSA-N 2 1 342.440 -1.524 20 0 EAADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@H+]1CCO ZINC000926425567 670109702 /nfs/dbraw/zinc/10/97/02/670109702.db2.gz DTXVHOHINVNKHW-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP CC1(C)CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1CCO ZINC000926425567 670109699 /nfs/dbraw/zinc/10/96/99/670109699.db2.gz DTXVHOHINVNKHW-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000930148981 670117115 /nfs/dbraw/zinc/11/71/15/670117115.db2.gz JKFSOBQKSKHCEO-CPUCHLNUSA-N 2 1 337.468 -1.242 20 0 EAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930148981 670117112 /nfs/dbraw/zinc/11/71/12/670117112.db2.gz JKFSOBQKSKHCEO-CPUCHLNUSA-N 2 1 337.468 -1.242 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000930148981 670117109 /nfs/dbraw/zinc/11/71/09/670117109.db2.gz JKFSOBQKSKHCEO-CPUCHLNUSA-N 2 1 337.468 -1.242 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000930148982 670116928 /nfs/dbraw/zinc/11/69/28/670116928.db2.gz JKFSOBQKSKHCEO-KEYYUXOJSA-N 2 1 337.468 -1.242 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000930148982 670116926 /nfs/dbraw/zinc/11/69/26/670116926.db2.gz JKFSOBQKSKHCEO-KEYYUXOJSA-N 2 1 337.468 -1.242 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000930148982 670116923 /nfs/dbraw/zinc/11/69/23/670116923.db2.gz JKFSOBQKSKHCEO-KEYYUXOJSA-N 2 1 337.468 -1.242 20 0 EAADMP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C[NH+](C)C ZINC000930149408 670116841 /nfs/dbraw/zinc/11/68/41/670116841.db2.gz PTFFHSDNSYIGCG-KBPBESRZSA-N 2 1 343.472 -1.569 20 0 EAADMP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C[NH+](C)C ZINC000930149409 670116941 /nfs/dbraw/zinc/11/69/41/670116941.db2.gz PTFFHSDNSYIGCG-KGLIPLIRSA-N 2 1 343.472 -1.569 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C[NH+](C)C ZINC000930149410 670116948 /nfs/dbraw/zinc/11/69/48/670116948.db2.gz PTFFHSDNSYIGCG-UONOGXRCSA-N 2 1 343.472 -1.569 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C[NH+](C)C ZINC000930149411 670088868 /nfs/dbraw/zinc/08/88/68/670088868.db2.gz PTFFHSDNSYIGCG-ZIAGYGMSSA-N 2 1 343.472 -1.569 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000930516031 670117535 /nfs/dbraw/zinc/11/75/35/670117535.db2.gz TVXZSLCOMIRGBV-BFHYXJOUSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000930516031 670117533 /nfs/dbraw/zinc/11/75/33/670117533.db2.gz TVXZSLCOMIRGBV-BFHYXJOUSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000930516033 670117702 /nfs/dbraw/zinc/11/77/02/670117702.db2.gz TVXZSLCOMIRGBV-MCIONIFRSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000930516033 670117698 /nfs/dbraw/zinc/11/76/98/670117698.db2.gz TVXZSLCOMIRGBV-MCIONIFRSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000930516034 670117646 /nfs/dbraw/zinc/11/76/46/670117646.db2.gz TVXZSLCOMIRGBV-MGPQQGTHSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000930516034 670117645 /nfs/dbraw/zinc/11/76/45/670117645.db2.gz TVXZSLCOMIRGBV-MGPQQGTHSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C[NH+](C)C ZINC000930516036 670117556 /nfs/dbraw/zinc/11/75/56/670117556.db2.gz TVXZSLCOMIRGBV-MJBXVCDLSA-N 2 1 344.456 -1.095 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C[NH+](C)C ZINC000930516036 670117555 /nfs/dbraw/zinc/11/75/55/670117555.db2.gz TVXZSLCOMIRGBV-MJBXVCDLSA-N 2 1 344.456 -1.095 20 0 EAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1=O ZINC000931886908 670122659 /nfs/dbraw/zinc/12/26/59/670122659.db2.gz QQNQHTJDUGRDBB-GFCCVEGCSA-N 2 1 325.413 -1.961 20 0 EAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1=O ZINC000931886908 670122657 /nfs/dbraw/zinc/12/26/57/670122657.db2.gz QQNQHTJDUGRDBB-GFCCVEGCSA-N 2 1 325.413 -1.961 20 0 EAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1=O ZINC000931886909 670122556 /nfs/dbraw/zinc/12/25/56/670122556.db2.gz QQNQHTJDUGRDBB-LBPRGKRZSA-N 2 1 325.413 -1.961 20 0 EAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1=O ZINC000931886909 670122553 /nfs/dbraw/zinc/12/25/53/670122553.db2.gz QQNQHTJDUGRDBB-LBPRGKRZSA-N 2 1 325.413 -1.961 20 0 EAADMP CCO[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+](C)C ZINC000932467054 670124986 /nfs/dbraw/zinc/12/49/86/670124986.db2.gz CMKOOYQOKOJVSZ-BFHYXJOUSA-N 2 1 342.440 -1.653 20 0 EAADMP CCO[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C[NH+](C)C ZINC000932467055 670125118 /nfs/dbraw/zinc/12/51/18/670125118.db2.gz CMKOOYQOKOJVSZ-MJBXVCDLSA-N 2 1 342.440 -1.653 20 0 EAADMP O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413901 669258482 /nfs/dbraw/zinc/25/84/82/669258482.db2.gz JDMLJOOUYXEVAJ-GDBMZVCRSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413901 669258480 /nfs/dbraw/zinc/25/84/80/669258480.db2.gz JDMLJOOUYXEVAJ-GDBMZVCRSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413902 669258495 /nfs/dbraw/zinc/25/84/95/669258495.db2.gz JDMLJOOUYXEVAJ-GOEBONIOSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413902 669258494 /nfs/dbraw/zinc/25/84/94/669258494.db2.gz JDMLJOOUYXEVAJ-GOEBONIOSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413903 669258541 /nfs/dbraw/zinc/25/85/41/669258541.db2.gz JDMLJOOUYXEVAJ-HOCLYGCPSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413903 669258537 /nfs/dbraw/zinc/25/85/37/669258537.db2.gz JDMLJOOUYXEVAJ-HOCLYGCPSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413904 669258879 /nfs/dbraw/zinc/25/88/79/669258879.db2.gz JDMLJOOUYXEVAJ-ZBFHGGJFSA-N 2 1 338.452 -1.330 20 0 EAADMP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C2C[NH+](CCO)C2)CC1 ZINC000941413904 669258874 /nfs/dbraw/zinc/25/88/74/669258874.db2.gz JDMLJOOUYXEVAJ-ZBFHGGJFSA-N 2 1 338.452 -1.330 20 0 EAADMP C[NH+]1CCC(OCC(=O)N2CCN(C3C[NH+](CCO)C3)CC2)CC1 ZINC000941622550 669296181 /nfs/dbraw/zinc/29/61/81/669296181.db2.gz IXOWAJCFYYXJIG-UHFFFAOYSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946918924 669613302 /nfs/dbraw/zinc/61/33/02/669613302.db2.gz VPZZGOBDEOLAOX-CHWSQXEVSA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946918924 669613298 /nfs/dbraw/zinc/61/32/98/669613298.db2.gz VPZZGOBDEOLAOX-CHWSQXEVSA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946918925 669613199 /nfs/dbraw/zinc/61/31/99/669613199.db2.gz VPZZGOBDEOLAOX-OLZOCXBDSA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946918925 669613193 /nfs/dbraw/zinc/61/31/93/669613193.db2.gz VPZZGOBDEOLAOX-OLZOCXBDSA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946918926 669613093 /nfs/dbraw/zinc/61/30/93/669613093.db2.gz VPZZGOBDEOLAOX-QWHCGFSZSA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946918926 669613088 /nfs/dbraw/zinc/61/30/88/669613088.db2.gz VPZZGOBDEOLAOX-QWHCGFSZSA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946918927 669613011 /nfs/dbraw/zinc/61/30/11/669613011.db2.gz VPZZGOBDEOLAOX-STQMWFEESA-N 2 1 340.424 -1.851 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946918927 669613007 /nfs/dbraw/zinc/61/30/07/669613007.db2.gz VPZZGOBDEOLAOX-STQMWFEESA-N 2 1 340.424 -1.851 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958076657 670626624 /nfs/dbraw/zinc/62/66/24/670626624.db2.gz JECCHRDHZUTJQI-AAEUAGOBSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958076657 670626619 /nfs/dbraw/zinc/62/66/19/670626619.db2.gz JECCHRDHZUTJQI-AAEUAGOBSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958076658 670626636 /nfs/dbraw/zinc/62/66/36/670626636.db2.gz JECCHRDHZUTJQI-DGCLKSJQSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958076658 670626631 /nfs/dbraw/zinc/62/66/31/670626631.db2.gz JECCHRDHZUTJQI-DGCLKSJQSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958076659 670626910 /nfs/dbraw/zinc/62/69/10/670626910.db2.gz JECCHRDHZUTJQI-WCQYABFASA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)n1 ZINC000958076659 670626908 /nfs/dbraw/zinc/62/69/08/670626908.db2.gz JECCHRDHZUTJQI-WCQYABFASA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958076660 670626684 /nfs/dbraw/zinc/62/66/84/670626684.db2.gz JECCHRDHZUTJQI-YPMHNXCESA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)n1 ZINC000958076660 670626681 /nfs/dbraw/zinc/62/66/81/670626681.db2.gz JECCHRDHZUTJQI-YPMHNXCESA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958076709 670626584 /nfs/dbraw/zinc/62/65/84/670626584.db2.gz KFHBERYAARMPCB-DZGCQCFKSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958076710 670626654 /nfs/dbraw/zinc/62/66/54/670626654.db2.gz KFHBERYAARMPCB-HIFRSBDPSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC000958076711 670626958 /nfs/dbraw/zinc/62/69/58/670626958.db2.gz KFHBERYAARMPCB-UKRRQHHQSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC000958076712 670626761 /nfs/dbraw/zinc/62/67/61/670626761.db2.gz KFHBERYAARMPCB-ZFWWWQNUSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958077173 670626700 /nfs/dbraw/zinc/62/67/00/670626700.db2.gz QTMZEALNAJSTJW-GXTWGEPZSA-N 2 1 325.413 -1.541 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958077174 670627243 /nfs/dbraw/zinc/62/72/43/670627243.db2.gz QTMZEALNAJSTJW-JSGCOSHPSA-N 2 1 325.413 -1.541 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)n1 ZINC000958077175 670626931 /nfs/dbraw/zinc/62/69/31/670626931.db2.gz QTMZEALNAJSTJW-OCCSQVGLSA-N 2 1 325.413 -1.541 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)n1 ZINC000958077176 670626730 /nfs/dbraw/zinc/62/67/30/670626730.db2.gz QTMZEALNAJSTJW-TZMCWYRMSA-N 2 1 325.413 -1.541 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958372925 670684035 /nfs/dbraw/zinc/68/40/35/670684035.db2.gz BTWJBEKRFVVKTB-KBPBESRZSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958372925 670684030 /nfs/dbraw/zinc/68/40/30/670684030.db2.gz BTWJBEKRFVVKTB-KBPBESRZSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958372926 670683926 /nfs/dbraw/zinc/68/39/26/670683926.db2.gz BTWJBEKRFVVKTB-KGLIPLIRSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958372926 670683922 /nfs/dbraw/zinc/68/39/22/670683922.db2.gz BTWJBEKRFVVKTB-KGLIPLIRSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958372927 670683874 /nfs/dbraw/zinc/68/38/74/670683874.db2.gz BTWJBEKRFVVKTB-UONOGXRCSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958372927 670683871 /nfs/dbraw/zinc/68/38/71/670683871.db2.gz BTWJBEKRFVVKTB-UONOGXRCSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958372928 670683767 /nfs/dbraw/zinc/68/37/67/670683767.db2.gz BTWJBEKRFVVKTB-ZIAGYGMSSA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958372928 670683763 /nfs/dbraw/zinc/68/37/63/670683763.db2.gz BTWJBEKRFVVKTB-ZIAGYGMSSA-N 2 1 326.441 -1.175 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC000958373289 670683994 /nfs/dbraw/zinc/68/39/94/670683994.db2.gz FQAXSNMBIPGVPC-CABCVRRESA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC000958373289 670683990 /nfs/dbraw/zinc/68/39/90/670683990.db2.gz FQAXSNMBIPGVPC-CABCVRRESA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC000958373290 670683812 /nfs/dbraw/zinc/68/38/12/670683812.db2.gz FQAXSNMBIPGVPC-GJZGRUSLSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)CC1 ZINC000958373290 670683811 /nfs/dbraw/zinc/68/38/11/670683811.db2.gz FQAXSNMBIPGVPC-GJZGRUSLSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC000958373291 670683805 /nfs/dbraw/zinc/68/38/05/670683805.db2.gz FQAXSNMBIPGVPC-HUUCEWRRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC000958373291 670683804 /nfs/dbraw/zinc/68/38/04/670683804.db2.gz FQAXSNMBIPGVPC-HUUCEWRRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC000958373292 670683696 /nfs/dbraw/zinc/68/36/96/670683696.db2.gz FQAXSNMBIPGVPC-LSDHHAIUSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2O)CC1 ZINC000958373292 670683692 /nfs/dbraw/zinc/68/36/92/670683692.db2.gz FQAXSNMBIPGVPC-LSDHHAIUSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415189 670692208 /nfs/dbraw/zinc/69/22/08/670692208.db2.gz QMUAWVHBPJLJGM-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415189 670692203 /nfs/dbraw/zinc/69/22/03/670692203.db2.gz QMUAWVHBPJLJGM-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415189 670692200 /nfs/dbraw/zinc/69/22/00/670692200.db2.gz QMUAWVHBPJLJGM-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415189 670692196 /nfs/dbraw/zinc/69/21/96/670692196.db2.gz QMUAWVHBPJLJGM-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415190 670692111 /nfs/dbraw/zinc/69/21/11/670692111.db2.gz QMUAWVHBPJLJGM-KNCOVGOOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415190 670692109 /nfs/dbraw/zinc/69/21/09/670692109.db2.gz QMUAWVHBPJLJGM-KNCOVGOOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415190 670692107 /nfs/dbraw/zinc/69/21/07/670692107.db2.gz QMUAWVHBPJLJGM-KNCOVGOOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000958415190 670692104 /nfs/dbraw/zinc/69/21/04/670692104.db2.gz QMUAWVHBPJLJGM-KNCOVGOOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415680 670692148 /nfs/dbraw/zinc/69/21/48/670692148.db2.gz YVCAAQMYKMRXGQ-CZXHOFHRSA-N 2 1 335.408 -1.321 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415680 670692144 /nfs/dbraw/zinc/69/21/44/670692144.db2.gz YVCAAQMYKMRXGQ-CZXHOFHRSA-N 2 1 335.408 -1.321 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415680 670692142 /nfs/dbraw/zinc/69/21/42/670692142.db2.gz YVCAAQMYKMRXGQ-CZXHOFHRSA-N 2 1 335.408 -1.321 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415682 670692291 /nfs/dbraw/zinc/69/22/91/670692291.db2.gz YVCAAQMYKMRXGQ-KZVDOYCCSA-N 2 1 335.408 -1.321 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415682 670692290 /nfs/dbraw/zinc/69/22/90/670692290.db2.gz YVCAAQMYKMRXGQ-KZVDOYCCSA-N 2 1 335.408 -1.321 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000958415682 670692287 /nfs/dbraw/zinc/69/22/87/670692287.db2.gz YVCAAQMYKMRXGQ-KZVDOYCCSA-N 2 1 335.408 -1.321 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958467593 670699438 /nfs/dbraw/zinc/69/94/38/670699438.db2.gz KCBGKRYLIAOODM-AAEUAGOBSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958467593 670699433 /nfs/dbraw/zinc/69/94/33/670699433.db2.gz KCBGKRYLIAOODM-AAEUAGOBSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958467594 670699360 /nfs/dbraw/zinc/69/93/60/670699360.db2.gz KCBGKRYLIAOODM-DGCLKSJQSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958467594 670699351 /nfs/dbraw/zinc/69/93/51/670699351.db2.gz KCBGKRYLIAOODM-DGCLKSJQSA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958467595 670699193 /nfs/dbraw/zinc/69/91/93/670699193.db2.gz KCBGKRYLIAOODM-WCQYABFASA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)C[C@H]2O)cn1 ZINC000958467595 670699190 /nfs/dbraw/zinc/69/91/90/670699190.db2.gz KCBGKRYLIAOODM-WCQYABFASA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958467596 670699812 /nfs/dbraw/zinc/69/98/12/670699812.db2.gz KCBGKRYLIAOODM-YPMHNXCESA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2O)cn1 ZINC000958467596 670699808 /nfs/dbraw/zinc/69/98/08/670699808.db2.gz KCBGKRYLIAOODM-YPMHNXCESA-N 2 1 338.412 -2.048 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958467825 670699858 /nfs/dbraw/zinc/69/98/58/670699858.db2.gz NLAQYYNGOIRCIT-DZGCQCFKSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958467826 670699177 /nfs/dbraw/zinc/69/91/77/670699177.db2.gz NLAQYYNGOIRCIT-HIFRSBDPSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC000958467827 670699706 /nfs/dbraw/zinc/69/97/06/670699706.db2.gz NLAQYYNGOIRCIT-UKRRQHHQSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC000958467828 670699235 /nfs/dbraw/zinc/69/92/35/670699235.db2.gz NLAQYYNGOIRCIT-ZFWWWQNUSA-N 2 1 339.440 -1.150 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958468301 670699486 /nfs/dbraw/zinc/69/94/86/670699486.db2.gz WDGSPQUOOUWFER-GXTWGEPZSA-N 2 1 325.413 -1.541 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958468302 670699720 /nfs/dbraw/zinc/69/97/20/670699720.db2.gz WDGSPQUOOUWFER-JSGCOSHPSA-N 2 1 325.413 -1.541 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)cn1 ZINC000958468303 670699613 /nfs/dbraw/zinc/69/96/13/670699613.db2.gz WDGSPQUOOUWFER-OCCSQVGLSA-N 2 1 325.413 -1.541 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)cn1 ZINC000958468304 670699269 /nfs/dbraw/zinc/69/92/69/670699269.db2.gz WDGSPQUOOUWFER-TZMCWYRMSA-N 2 1 325.413 -1.541 20 0 EAADMP O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590974 670724061 /nfs/dbraw/zinc/72/40/61/670724061.db2.gz DJULEUDUOMULRE-KBPBESRZSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590974 670724058 /nfs/dbraw/zinc/72/40/58/670724058.db2.gz DJULEUDUOMULRE-KBPBESRZSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590975 670723964 /nfs/dbraw/zinc/72/39/64/670723964.db2.gz DJULEUDUOMULRE-KGLIPLIRSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590975 670723959 /nfs/dbraw/zinc/72/39/59/670723959.db2.gz DJULEUDUOMULRE-KGLIPLIRSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590976 670724114 /nfs/dbraw/zinc/72/41/14/670724114.db2.gz DJULEUDUOMULRE-UONOGXRCSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC000958590976 670724111 /nfs/dbraw/zinc/72/41/11/670724111.db2.gz DJULEUDUOMULRE-UONOGXRCSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC000958590977 670724052 /nfs/dbraw/zinc/72/40/52/670724052.db2.gz DJULEUDUOMULRE-ZIAGYGMSSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC000958590977 670724049 /nfs/dbraw/zinc/72/40/49/670724049.db2.gz DJULEUDUOMULRE-ZIAGYGMSSA-N 2 1 336.436 -1.277 20 0 EAADMP O=C(C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591459 670723996 /nfs/dbraw/zinc/72/39/96/670723996.db2.gz GZEKZUFXCITMSG-GXTWGEPZSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591459 670723993 /nfs/dbraw/zinc/72/39/93/670723993.db2.gz GZEKZUFXCITMSG-GXTWGEPZSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591468 670724081 /nfs/dbraw/zinc/72/40/81/670724081.db2.gz GZEKZUFXCITMSG-JSGCOSHPSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591468 670724079 /nfs/dbraw/zinc/72/40/79/670724079.db2.gz GZEKZUFXCITMSG-JSGCOSHPSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591470 670724326 /nfs/dbraw/zinc/72/43/26/670724326.db2.gz GZEKZUFXCITMSG-OCCSQVGLSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC000958591470 670724322 /nfs/dbraw/zinc/72/43/22/670724322.db2.gz GZEKZUFXCITMSG-OCCSQVGLSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC000958591472 670724297 /nfs/dbraw/zinc/72/42/97/670724297.db2.gz GZEKZUFXCITMSG-TZMCWYRMSA-N 2 1 336.436 -1.230 20 0 EAADMP O=C(C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)NC1CC1 ZINC000958591472 670724294 /nfs/dbraw/zinc/72/42/94/670724294.db2.gz GZEKZUFXCITMSG-TZMCWYRMSA-N 2 1 336.436 -1.230 20 0 EAADMP Cn1nncc1C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592122 670725245 /nfs/dbraw/zinc/72/52/45/670725245.db2.gz MASIZQQEIXNGPY-GXTWGEPZSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592122 670725241 /nfs/dbraw/zinc/72/52/41/670725241.db2.gz MASIZQQEIXNGPY-GXTWGEPZSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592123 670725032 /nfs/dbraw/zinc/72/50/32/670725032.db2.gz MASIZQQEIXNGPY-JSGCOSHPSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592123 670725026 /nfs/dbraw/zinc/72/50/26/670725026.db2.gz MASIZQQEIXNGPY-JSGCOSHPSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592124 670725167 /nfs/dbraw/zinc/72/51/67/670725167.db2.gz MASIZQQEIXNGPY-OCCSQVGLSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592124 670725162 /nfs/dbraw/zinc/72/51/62/670725162.db2.gz MASIZQQEIXNGPY-OCCSQVGLSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592125 670725225 /nfs/dbraw/zinc/72/52/25/670725225.db2.gz MASIZQQEIXNGPY-TZMCWYRMSA-N 2 1 334.424 -1.180 20 0 EAADMP Cn1nncc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592125 670725222 /nfs/dbraw/zinc/72/52/22/670725222.db2.gz MASIZQQEIXNGPY-TZMCWYRMSA-N 2 1 334.424 -1.180 20 0 EAADMP O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958596006 670725821 /nfs/dbraw/zinc/72/58/21/670725821.db2.gz XVKXTGFNULZIFT-KBPBESRZSA-N 2 1 334.424 -1.217 20 0 EAADMP O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958596007 670725686 /nfs/dbraw/zinc/72/56/86/670725686.db2.gz XVKXTGFNULZIFT-KGLIPLIRSA-N 2 1 334.424 -1.217 20 0 EAADMP O=C(NC[C@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958596008 670725528 /nfs/dbraw/zinc/72/55/28/670725528.db2.gz XVKXTGFNULZIFT-UONOGXRCSA-N 2 1 334.424 -1.217 20 0 EAADMP O=C(NC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958596009 670725806 /nfs/dbraw/zinc/72/58/06/670725806.db2.gz XVKXTGFNULZIFT-ZIAGYGMSSA-N 2 1 334.424 -1.217 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000959953455 671919966 /nfs/dbraw/zinc/91/99/66/671919966.db2.gz MNWLOCBMZBSSNH-MYZSUADSSA-N 2 1 346.435 -1.007 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000959953464 671919815 /nfs/dbraw/zinc/91/98/15/671919815.db2.gz MNWLOCBMZBSSNH-OSRDXIQISA-N 2 1 346.435 -1.007 20 0 EAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959954841 671919858 /nfs/dbraw/zinc/91/98/58/671919858.db2.gz QNSYQIOEFWEGTB-CIQGVGRVSA-N 2 1 334.424 -1.022 20 0 EAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959954841 671919855 /nfs/dbraw/zinc/91/98/55/671919855.db2.gz QNSYQIOEFWEGTB-CIQGVGRVSA-N 2 1 334.424 -1.022 20 0 EAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959954848 671919884 /nfs/dbraw/zinc/91/98/84/671919884.db2.gz QNSYQIOEFWEGTB-NMKXLXIOSA-N 2 1 334.424 -1.022 20 0 EAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959954848 671919879 /nfs/dbraw/zinc/91/98/79/671919879.db2.gz QNSYQIOEFWEGTB-NMKXLXIOSA-N 2 1 334.424 -1.022 20 0 EAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959955538 671919930 /nfs/dbraw/zinc/91/99/30/671919930.db2.gz RICWDCIXLWWISX-JYAVWHMHSA-N 2 1 334.424 -1.149 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959955538 671919925 /nfs/dbraw/zinc/91/99/25/671919925.db2.gz RICWDCIXLWWISX-JYAVWHMHSA-N 2 1 334.424 -1.149 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC000959963278 671920429 /nfs/dbraw/zinc/92/04/29/671920429.db2.gz CHTYKQFWFDMWCN-NTASLKFISA-N 2 1 349.435 -1.075 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC000959963278 671920426 /nfs/dbraw/zinc/92/04/26/671920426.db2.gz CHTYKQFWFDMWCN-NTASLKFISA-N 2 1 349.435 -1.075 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)CC[N@H+]1C ZINC000959963278 671920423 /nfs/dbraw/zinc/92/04/23/671920423.db2.gz CHTYKQFWFDMWCN-NTASLKFISA-N 2 1 349.435 -1.075 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000961147428 671981078 /nfs/dbraw/zinc/98/10/78/671981078.db2.gz IINLMTLBXNGRFL-JYAVWHMHSA-N 2 1 346.391 -1.210 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000961147428 671981074 /nfs/dbraw/zinc/98/10/74/671981074.db2.gz IINLMTLBXNGRFL-JYAVWHMHSA-N 2 1 346.391 -1.210 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279077 671987174 /nfs/dbraw/zinc/98/71/74/671987174.db2.gz HGABUQFMEOOIIM-GAQFHYGKSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279077 671987171 /nfs/dbraw/zinc/98/71/71/671987171.db2.gz HGABUQFMEOOIIM-GAQFHYGKSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279077 671987169 /nfs/dbraw/zinc/98/71/69/671987169.db2.gz HGABUQFMEOOIIM-GAQFHYGKSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279077 671987165 /nfs/dbraw/zinc/98/71/65/671987165.db2.gz HGABUQFMEOOIIM-GAQFHYGKSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279082 671987085 /nfs/dbraw/zinc/98/70/85/671987085.db2.gz HGABUQFMEOOIIM-OOWVRBHJSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279082 671987084 /nfs/dbraw/zinc/98/70/84/671987084.db2.gz HGABUQFMEOOIIM-OOWVRBHJSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279082 671987083 /nfs/dbraw/zinc/98/70/83/671987083.db2.gz HGABUQFMEOOIIM-OOWVRBHJSA-N 2 1 334.420 -1.358 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279082 671987082 /nfs/dbraw/zinc/98/70/82/671987082.db2.gz HGABUQFMEOOIIM-OOWVRBHJSA-N 2 1 334.420 -1.358 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279132 671987123 /nfs/dbraw/zinc/98/71/23/671987123.db2.gz HJYXLYMINXMJNI-CZFFNBFHSA-N 2 1 348.447 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279132 671987121 /nfs/dbraw/zinc/98/71/21/671987121.db2.gz HJYXLYMINXMJNI-CZFFNBFHSA-N 2 1 348.447 -1.016 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279132 671987118 /nfs/dbraw/zinc/98/71/18/671987118.db2.gz HJYXLYMINXMJNI-CZFFNBFHSA-N 2 1 348.447 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961279138 671987058 /nfs/dbraw/zinc/98/70/58/671987058.db2.gz HJYXLYMINXMJNI-JEIQVTSHSA-N 2 1 348.447 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961279138 671987056 /nfs/dbraw/zinc/98/70/56/671987056.db2.gz HJYXLYMINXMJNI-JEIQVTSHSA-N 2 1 348.447 -1.016 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961279138 671987055 /nfs/dbraw/zinc/98/70/55/671987055.db2.gz HJYXLYMINXMJNI-JEIQVTSHSA-N 2 1 348.447 -1.016 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)CC1 ZINC000961665246 672019334 /nfs/dbraw/zinc/01/93/34/672019334.db2.gz SBRFQFTUJMPSTP-NHAGDIPZSA-N 2 1 349.435 -1.074 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[nH]4)C[C@H]32)C1 ZINC000961787089 672029452 /nfs/dbraw/zinc/02/94/52/672029452.db2.gz JLDFPXBNETZKFE-FJJYHAOUSA-N 2 1 334.424 -1.003 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000961791737 672029799 /nfs/dbraw/zinc/02/97/99/672029799.db2.gz VGWBDHZSWBNEPA-BCUIYNNISA-N 2 1 349.435 -1.074 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000961791737 672029795 /nfs/dbraw/zinc/02/97/95/672029795.db2.gz VGWBDHZSWBNEPA-BCUIYNNISA-N 2 1 349.435 -1.074 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000961791737 672029792 /nfs/dbraw/zinc/02/97/92/672029792.db2.gz VGWBDHZSWBNEPA-BCUIYNNISA-N 2 1 349.435 -1.074 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000961791740 672029595 /nfs/dbraw/zinc/02/95/95/672029595.db2.gz VGWBDHZSWBNEPA-FOCJUVANSA-N 2 1 349.435 -1.074 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000961791740 672029592 /nfs/dbraw/zinc/02/95/92/672029592.db2.gz VGWBDHZSWBNEPA-FOCJUVANSA-N 2 1 349.435 -1.074 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000961791740 672029590 /nfs/dbraw/zinc/02/95/90/672029590.db2.gz VGWBDHZSWBNEPA-FOCJUVANSA-N 2 1 349.435 -1.074 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000961928815 672042117 /nfs/dbraw/zinc/04/21/17/672042117.db2.gz UOKKTZLZQBHSJY-MCIONIFRSA-N 2 1 336.436 -1.136 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000961928817 672041899 /nfs/dbraw/zinc/04/18/99/672041899.db2.gz UOKKTZLZQBHSJY-RDBSUJKOSA-N 2 1 336.436 -1.136 20 0 EAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962009761 672049775 /nfs/dbraw/zinc/04/97/75/672049775.db2.gz KTXMVVDEVOPVBI-SCUASFONSA-N 2 1 334.424 -1.022 20 0 EAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962009761 672049773 /nfs/dbraw/zinc/04/97/73/672049773.db2.gz KTXMVVDEVOPVBI-SCUASFONSA-N 2 1 334.424 -1.022 20 0 EAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962009765 672049802 /nfs/dbraw/zinc/04/98/02/672049802.db2.gz KTXMVVDEVOPVBI-ZZVYKPCYSA-N 2 1 334.424 -1.022 20 0 EAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962009765 672049798 /nfs/dbraw/zinc/04/97/98/672049798.db2.gz KTXMVVDEVOPVBI-ZZVYKPCYSA-N 2 1 334.424 -1.022 20 0 EAADMP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962012329 672050343 /nfs/dbraw/zinc/05/03/43/672050343.db2.gz SGUYSTNAJXHMGU-NHAGDIPZSA-N 2 1 334.424 -1.149 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962012329 672050341 /nfs/dbraw/zinc/05/03/41/672050341.db2.gz SGUYSTNAJXHMGU-NHAGDIPZSA-N 2 1 334.424 -1.149 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)cn1 ZINC000962016522 672051074 /nfs/dbraw/zinc/05/10/74/672051074.db2.gz KXVDEHWZDAMCEN-BARDWOONSA-N 2 1 346.435 -1.007 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC000962016527 672051208 /nfs/dbraw/zinc/05/12/08/672051208.db2.gz KXVDEHWZDAMCEN-LJISPDSOSA-N 2 1 346.435 -1.007 20 0 EAADMP O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)N1CCOCC1 ZINC000962295603 672073300 /nfs/dbraw/zinc/07/33/00/672073300.db2.gz GECDXRDNTVTBIN-FOLVSLTJSA-N 2 1 348.447 -1.013 20 0 EAADMP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)N1CCOCC1 ZINC000962295603 672073296 /nfs/dbraw/zinc/07/32/96/672073296.db2.gz GECDXRDNTVTBIN-FOLVSLTJSA-N 2 1 348.447 -1.013 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297559 672073355 /nfs/dbraw/zinc/07/33/55/672073355.db2.gz MOMJEYUPOQAPOK-IMRBUKKESA-N 2 1 347.419 -1.320 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962299673 672073762 /nfs/dbraw/zinc/07/37/62/672073762.db2.gz SERRUWNKQCSJFZ-CZXHOFHRSA-N 2 1 332.404 -1.066 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962299675 672073911 /nfs/dbraw/zinc/07/39/11/672073911.db2.gz SERRUWNKQCSJFZ-KZVDOYCCSA-N 2 1 332.404 -1.066 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304488 672074638 /nfs/dbraw/zinc/07/46/38/672074638.db2.gz HAGATNMTTIODCG-BCUIYNNISA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304488 672074635 /nfs/dbraw/zinc/07/46/35/672074635.db2.gz HAGATNMTTIODCG-BCUIYNNISA-N 2 1 349.435 -1.074 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304488 672074632 /nfs/dbraw/zinc/07/46/32/672074632.db2.gz HAGATNMTTIODCG-BCUIYNNISA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304491 672074701 /nfs/dbraw/zinc/07/47/01/672074701.db2.gz HAGATNMTTIODCG-FOCJUVANSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304491 672074699 /nfs/dbraw/zinc/07/46/99/672074699.db2.gz HAGATNMTTIODCG-FOCJUVANSA-N 2 1 349.435 -1.074 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962304491 672074697 /nfs/dbraw/zinc/07/46/97/672074697.db2.gz HAGATNMTTIODCG-FOCJUVANSA-N 2 1 349.435 -1.074 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000962552139 672098975 /nfs/dbraw/zinc/09/89/75/672098975.db2.gz CIUNZXSSEVYDOT-HALDLXJZSA-N 2 1 336.436 -1.013 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC000962552139 672098973 /nfs/dbraw/zinc/09/89/73/672098973.db2.gz CIUNZXSSEVYDOT-HALDLXJZSA-N 2 1 336.436 -1.013 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554031 672099458 /nfs/dbraw/zinc/09/94/58/672099458.db2.gz NDTLHFDZAHYAEL-BCUIYNNISA-N 2 1 349.435 -2.057 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554031 672099457 /nfs/dbraw/zinc/09/94/57/672099457.db2.gz NDTLHFDZAHYAEL-BCUIYNNISA-N 2 1 349.435 -2.057 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554031 672099455 /nfs/dbraw/zinc/09/94/55/672099455.db2.gz NDTLHFDZAHYAEL-BCUIYNNISA-N 2 1 349.435 -2.057 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554031 672099454 /nfs/dbraw/zinc/09/94/54/672099454.db2.gz NDTLHFDZAHYAEL-BCUIYNNISA-N 2 1 349.435 -2.057 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554036 672099278 /nfs/dbraw/zinc/09/92/78/672099278.db2.gz NDTLHFDZAHYAEL-FOCJUVANSA-N 2 1 349.435 -2.057 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554036 672099273 /nfs/dbraw/zinc/09/92/73/672099273.db2.gz NDTLHFDZAHYAEL-FOCJUVANSA-N 2 1 349.435 -2.057 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554036 672099269 /nfs/dbraw/zinc/09/92/69/672099269.db2.gz NDTLHFDZAHYAEL-FOCJUVANSA-N 2 1 349.435 -2.057 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)C1 ZINC000962554036 672099264 /nfs/dbraw/zinc/09/92/64/672099264.db2.gz NDTLHFDZAHYAEL-FOCJUVANSA-N 2 1 349.435 -2.057 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556479 672099443 /nfs/dbraw/zinc/09/94/43/672099443.db2.gz RFGCFURYIIMRTA-NYTXWWLZSA-N 2 1 336.436 -1.157 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556479 672099442 /nfs/dbraw/zinc/09/94/42/672099442.db2.gz RFGCFURYIIMRTA-NYTXWWLZSA-N 2 1 336.436 -1.157 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556479 672099440 /nfs/dbraw/zinc/09/94/40/672099440.db2.gz RFGCFURYIIMRTA-NYTXWWLZSA-N 2 1 336.436 -1.157 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556479 672099439 /nfs/dbraw/zinc/09/94/39/672099439.db2.gz RFGCFURYIIMRTA-NYTXWWLZSA-N 2 1 336.436 -1.157 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556480 672099414 /nfs/dbraw/zinc/09/94/14/672099414.db2.gz RFGCFURYIIMRTA-TTZDDIAXSA-N 2 1 336.436 -1.157 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556480 672099413 /nfs/dbraw/zinc/09/94/13/672099413.db2.gz RFGCFURYIIMRTA-TTZDDIAXSA-N 2 1 336.436 -1.157 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556480 672099411 /nfs/dbraw/zinc/09/94/11/672099411.db2.gz RFGCFURYIIMRTA-TTZDDIAXSA-N 2 1 336.436 -1.157 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)C1 ZINC000962556480 672099410 /nfs/dbraw/zinc/09/94/10/672099410.db2.gz RFGCFURYIIMRTA-TTZDDIAXSA-N 2 1 336.436 -1.157 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000962574971 672100180 /nfs/dbraw/zinc/10/01/80/672100180.db2.gz HMBQTCDGZYKZQS-JYAVWHMHSA-N 2 1 335.408 -1.320 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000962580744 672100970 /nfs/dbraw/zinc/10/09/70/672100970.db2.gz UQKBHLQQYDCSRG-JYAVWHMHSA-N 2 1 346.391 -1.210 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000962580744 672100966 /nfs/dbraw/zinc/10/09/66/672100966.db2.gz UQKBHLQQYDCSRG-JYAVWHMHSA-N 2 1 346.391 -1.210 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584765 672100802 /nfs/dbraw/zinc/10/08/02/672100802.db2.gz DPTXDORYVLHZOO-CXTNEJHOSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584765 672100801 /nfs/dbraw/zinc/10/08/01/672100801.db2.gz DPTXDORYVLHZOO-CXTNEJHOSA-N 2 1 349.435 -1.074 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584765 672100798 /nfs/dbraw/zinc/10/07/98/672100798.db2.gz DPTXDORYVLHZOO-CXTNEJHOSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584775 672100906 /nfs/dbraw/zinc/10/09/06/672100906.db2.gz DPTXDORYVLHZOO-RMRHIDDWSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584775 672100904 /nfs/dbraw/zinc/10/09/04/672100904.db2.gz DPTXDORYVLHZOO-RMRHIDDWSA-N 2 1 349.435 -1.074 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962584775 672100899 /nfs/dbraw/zinc/10/08/99/672100899.db2.gz DPTXDORYVLHZOO-RMRHIDDWSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596619 672101604 /nfs/dbraw/zinc/10/16/04/672101604.db2.gz YCXRLXRLZOMMSA-CIQGVGRVSA-N 2 1 335.408 -1.464 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596619 672101603 /nfs/dbraw/zinc/10/16/03/672101603.db2.gz YCXRLXRLZOMMSA-CIQGVGRVSA-N 2 1 335.408 -1.464 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596619 672101602 /nfs/dbraw/zinc/10/16/02/672101602.db2.gz YCXRLXRLZOMMSA-CIQGVGRVSA-N 2 1 335.408 -1.464 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596620 672101924 /nfs/dbraw/zinc/10/19/24/672101924.db2.gz YCXRLXRLZOMMSA-NMKXLXIOSA-N 2 1 335.408 -1.464 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596620 672101922 /nfs/dbraw/zinc/10/19/22/672101922.db2.gz YCXRLXRLZOMMSA-NMKXLXIOSA-N 2 1 335.408 -1.464 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000962596620 672101918 /nfs/dbraw/zinc/10/19/18/672101918.db2.gz YCXRLXRLZOMMSA-NMKXLXIOSA-N 2 1 335.408 -1.464 20 0 EAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)N4CCC4)C[C@H]32)C1 ZINC000962651896 672107292 /nfs/dbraw/zinc/10/72/92/672107292.db2.gz IDMLYDCLIQIXQR-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP CCN1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000962651896 672107287 /nfs/dbraw/zinc/10/72/87/672107287.db2.gz IDMLYDCLIQIXQR-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963382285 672137165 /nfs/dbraw/zinc/13/71/65/672137165.db2.gz HMLJJIKSKVWLLJ-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963382285 672137162 /nfs/dbraw/zinc/13/71/62/672137162.db2.gz HMLJJIKSKVWLLJ-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963382286 672137138 /nfs/dbraw/zinc/13/71/38/672137138.db2.gz HMLJJIKSKVWLLJ-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963382286 672137133 /nfs/dbraw/zinc/13/71/33/672137133.db2.gz HMLJJIKSKVWLLJ-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963394838 672137912 /nfs/dbraw/zinc/13/79/12/672137912.db2.gz NGWCSANIEUJUQM-KFWWJZLASA-N 2 1 338.452 -1.032 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2O)C1 ZINC000963394840 672138030 /nfs/dbraw/zinc/13/80/30/672138030.db2.gz NGWCSANIEUJUQM-ZNMIVQPWSA-N 2 1 338.452 -1.032 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963398475 672138565 /nfs/dbraw/zinc/13/85/65/672138565.db2.gz XUSYEHXLAHRCIT-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963398475 672138562 /nfs/dbraw/zinc/13/85/62/672138562.db2.gz XUSYEHXLAHRCIT-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC000963398476 672138533 /nfs/dbraw/zinc/13/85/33/672138533.db2.gz XUSYEHXLAHRCIT-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC000963398476 672138531 /nfs/dbraw/zinc/13/85/31/672138531.db2.gz XUSYEHXLAHRCIT-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000963419739 672139184 /nfs/dbraw/zinc/13/91/84/672139184.db2.gz HUSGIHMLANTYMV-MCIONIFRSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2O)C1 ZINC000963419740 672139033 /nfs/dbraw/zinc/13/90/33/672139033.db2.gz HUSGIHMLANTYMV-MJBXVCDLSA-N 2 1 336.436 -1.278 20 0 EAADMP CN1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)C1 ZINC000963451632 672139736 /nfs/dbraw/zinc/13/97/36/672139736.db2.gz FMMUODZGQOCJIA-HZSPNIEDSA-N 2 1 340.424 -1.899 20 0 EAADMP CN1CCO[C@H](C(=O)N2C[C@@H](NC(=O)CN3CCCC3)[C@@H](O)C2)C1 ZINC000963451633 672139911 /nfs/dbraw/zinc/13/99/11/672139911.db2.gz FMMUODZGQOCJIA-RDBSUJKOSA-N 2 1 340.424 -1.899 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000963555251 672145314 /nfs/dbraw/zinc/14/53/14/672145314.db2.gz FDXKMZSUFHUSOK-MCIONIFRSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000963555251 672145311 /nfs/dbraw/zinc/14/53/11/672145311.db2.gz FDXKMZSUFHUSOK-MCIONIFRSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000963555252 672145267 /nfs/dbraw/zinc/14/52/67/672145267.db2.gz FDXKMZSUFHUSOK-RDBSUJKOSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000963555252 672145264 /nfs/dbraw/zinc/14/52/64/672145264.db2.gz FDXKMZSUFHUSOK-RDBSUJKOSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000963556147 672145342 /nfs/dbraw/zinc/14/53/42/672145342.db2.gz KCQQFFPUVVKKTB-KGLIPLIRSA-N 2 1 347.419 -1.025 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000963572187 672146110 /nfs/dbraw/zinc/14/61/10/672146110.db2.gz LXMIAJJCVAARQB-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000963572187 672146107 /nfs/dbraw/zinc/14/61/07/672146107.db2.gz LXMIAJJCVAARQB-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000963572188 672146169 /nfs/dbraw/zinc/14/61/69/672146169.db2.gz LXMIAJJCVAARQB-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000963572188 672146165 /nfs/dbraw/zinc/14/61/65/672146165.db2.gz LXMIAJJCVAARQB-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000963572232 672146209 /nfs/dbraw/zinc/14/62/09/672146209.db2.gz MRKILAUWYMHXME-KGLIPLIRSA-N 2 1 335.408 -1.025 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)C[C@@H]2O)CC[N@H+]1C ZINC000964637117 672238175 /nfs/dbraw/zinc/23/81/75/672238175.db2.gz XROHTQDLJVUNPG-SYQHCUMBSA-N 2 1 335.408 -1.089 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000967925850 672397576 /nfs/dbraw/zinc/39/75/76/672397576.db2.gz SLGTYUKNTCQZLT-CHWSQXEVSA-N 2 1 337.424 -1.771 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000967925851 672397433 /nfs/dbraw/zinc/39/74/33/672397433.db2.gz SLGTYUKNTCQZLT-OLZOCXBDSA-N 2 1 337.424 -1.771 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000968299416 672406510 /nfs/dbraw/zinc/40/65/10/672406510.db2.gz BNDUAQXHVXJOEB-NEPJUHHUSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000968299416 672406509 /nfs/dbraw/zinc/40/65/09/672406509.db2.gz BNDUAQXHVXJOEB-NEPJUHHUSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000968299417 672406547 /nfs/dbraw/zinc/40/65/47/672406547.db2.gz BNDUAQXHVXJOEB-VXGBXAGGSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000968299417 672406546 /nfs/dbraw/zinc/40/65/46/672406546.db2.gz BNDUAQXHVXJOEB-VXGBXAGGSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000968304105 672407026 /nfs/dbraw/zinc/40/70/26/672407026.db2.gz VUAPIVCETPRZNA-CHWSQXEVSA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000968304105 672407023 /nfs/dbraw/zinc/40/70/23/672407023.db2.gz VUAPIVCETPRZNA-CHWSQXEVSA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000968304110 672406965 /nfs/dbraw/zinc/40/69/65/672406965.db2.gz VUAPIVCETPRZNA-OLZOCXBDSA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000968304110 672406962 /nfs/dbraw/zinc/40/69/62/672406962.db2.gz VUAPIVCETPRZNA-OLZOCXBDSA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000968304552 672407041 /nfs/dbraw/zinc/40/70/41/672407041.db2.gz XQSWRBHQOINWNA-CHWSQXEVSA-N 2 1 338.408 -1.344 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000968304552 672407038 /nfs/dbraw/zinc/40/70/38/672407038.db2.gz XQSWRBHQOINWNA-CHWSQXEVSA-N 2 1 338.408 -1.344 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000968304554 672407032 /nfs/dbraw/zinc/40/70/32/672407032.db2.gz XQSWRBHQOINWNA-OLZOCXBDSA-N 2 1 338.408 -1.344 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000968304554 672407031 /nfs/dbraw/zinc/40/70/31/672407031.db2.gz XQSWRBHQOINWNA-OLZOCXBDSA-N 2 1 338.408 -1.344 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)C1 ZINC000968461618 672412659 /nfs/dbraw/zinc/41/26/59/672412659.db2.gz FWOHTNVKDJNYHQ-MCIONIFRSA-N 2 1 335.408 -1.087 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)C1 ZINC000968461619 672412580 /nfs/dbraw/zinc/41/25/80/672412580.db2.gz FWOHTNVKDJNYHQ-MJBXVCDLSA-N 2 1 335.408 -1.087 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)Cn3ccnc3)[C@@H](O)C2)CC[N@H+]1C ZINC000968463841 672412895 /nfs/dbraw/zinc/41/28/95/672412895.db2.gz BYQAOAGUVJJRIV-SYQHCUMBSA-N 2 1 335.408 -1.089 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466401 672412972 /nfs/dbraw/zinc/41/29/72/672412972.db2.gz IMAZWOCSCMRFID-KFWWJZLASA-N 2 1 338.452 -1.032 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)C1 ZINC000968466402 672413249 /nfs/dbraw/zinc/41/32/49/672413249.db2.gz IMAZWOCSCMRFID-ZNMIVQPWSA-N 2 1 338.452 -1.032 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000968714357 672424077 /nfs/dbraw/zinc/42/40/77/672424077.db2.gz JJTTVGNTIWUHSC-GFCCVEGCSA-N 2 1 347.427 -1.028 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000968947462 672431629 /nfs/dbraw/zinc/43/16/29/672431629.db2.gz ZALZANYJSMZMIU-MCIONIFRSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000968947462 672431626 /nfs/dbraw/zinc/43/16/26/672431626.db2.gz ZALZANYJSMZMIU-MCIONIFRSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000968947464 672431517 /nfs/dbraw/zinc/43/15/17/672431517.db2.gz ZALZANYJSMZMIU-RDBSUJKOSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000968947464 672431513 /nfs/dbraw/zinc/43/15/13/672431513.db2.gz ZALZANYJSMZMIU-RDBSUJKOSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC000968951643 672431939 /nfs/dbraw/zinc/43/19/39/672431939.db2.gz XWABYFIRHXLLIP-KGLIPLIRSA-N 2 1 347.419 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000968956358 672432703 /nfs/dbraw/zinc/43/27/03/672432703.db2.gz BMHCWWOVLTURBV-KGLIPLIRSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968956572 672432568 /nfs/dbraw/zinc/43/25/68/672432568.db2.gz HTDQDHKFWSJNGH-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000968956572 672432566 /nfs/dbraw/zinc/43/25/66/672432566.db2.gz HTDQDHKFWSJNGH-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968956572 672432563 /nfs/dbraw/zinc/43/25/63/672432563.db2.gz HTDQDHKFWSJNGH-MCIONIFRSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968956573 672432367 /nfs/dbraw/zinc/43/23/67/672432367.db2.gz HTDQDHKFWSJNGH-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC000968956573 672432365 /nfs/dbraw/zinc/43/23/65/672432365.db2.gz HTDQDHKFWSJNGH-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1cncn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000968956573 672432362 /nfs/dbraw/zinc/43/23/62/672432362.db2.gz HTDQDHKFWSJNGH-MJBXVCDLSA-N 2 1 335.408 -1.169 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC000969071917 672440710 /nfs/dbraw/zinc/44/07/10/672440710.db2.gz NBUDPUYMGWTLFX-MGPQQGTHSA-N 2 1 339.440 -1.079 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC000969071917 672440708 /nfs/dbraw/zinc/44/07/08/672440708.db2.gz NBUDPUYMGWTLFX-MGPQQGTHSA-N 2 1 339.440 -1.079 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969087612 672443642 /nfs/dbraw/zinc/44/36/42/672443642.db2.gz HJBQADCSGAUONL-MCIONIFRSA-N 2 1 336.436 -1.136 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969087617 672443297 /nfs/dbraw/zinc/44/32/97/672443297.db2.gz HJBQADCSGAUONL-RDBSUJKOSA-N 2 1 336.436 -1.136 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092263 672444528 /nfs/dbraw/zinc/44/45/28/672444528.db2.gz CRHWFAFSTCUEAG-KGLIPLIRSA-N 2 1 347.419 -1.025 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092434 672444548 /nfs/dbraw/zinc/44/45/48/672444548.db2.gz HBLQXRALRCLEGG-MCIONIFRSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1 ZINC000969092435 672444353 /nfs/dbraw/zinc/44/43/53/672444353.db2.gz HBLQXRALRCLEGG-MJBXVCDLSA-N 2 1 336.436 -1.278 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969092723 672444291 /nfs/dbraw/zinc/44/42/91/672444291.db2.gz PSIYADMKPMACFZ-KGLIPLIRSA-N 2 1 347.419 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000969356569 668097995 /nfs/dbraw/zinc/09/79/95/668097995.db2.gz KEPMSKWEAKNZMO-CYBMUJFWSA-N 2 1 348.407 -1.660 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000969356886 668098064 /nfs/dbraw/zinc/09/80/64/668098064.db2.gz UTFCCXLAJNDFKP-GFCCVEGCSA-N 2 1 334.380 -1.066 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407676 668105591 /nfs/dbraw/zinc/10/55/91/668105591.db2.gz QHHWSTFYNDOLTC-LGESCRJUSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407676 668105587 /nfs/dbraw/zinc/10/55/87/668105587.db2.gz QHHWSTFYNDOLTC-LGESCRJUSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000969407677 668105525 /nfs/dbraw/zinc/10/55/25/668105525.db2.gz QHHWSTFYNDOLTC-WULFKBJJSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407677 668105522 /nfs/dbraw/zinc/10/55/22/668105522.db2.gz QHHWSTFYNDOLTC-WULFKBJJSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970231006 668230956 /nfs/dbraw/zinc/23/09/56/668230956.db2.gz IRDFNYWYZWFOCP-CYBMUJFWSA-N 2 1 347.427 -1.028 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970272361 668234727 /nfs/dbraw/zinc/23/47/27/668234727.db2.gz GLXNTDGJDJRPNS-CHWSQXEVSA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970272362 668234901 /nfs/dbraw/zinc/23/49/01/668234901.db2.gz GLXNTDGJDJRPNS-OLZOCXBDSA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970273560 668234746 /nfs/dbraw/zinc/23/47/46/668234746.db2.gz RXVVTYHKHQGRPD-CQSZACIVSA-N 2 1 339.440 -1.076 20 0 EAADMP C[C@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2O)C1 ZINC000970642921 668268701 /nfs/dbraw/zinc/26/87/01/668268701.db2.gz FEKSMFMIMSZBNM-CFVMTHIKSA-N 2 1 349.435 -1.008 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2O)C1 ZINC000970642921 668268695 /nfs/dbraw/zinc/26/86/95/668268695.db2.gz FEKSMFMIMSZBNM-CFVMTHIKSA-N 2 1 349.435 -1.008 20 0 EAADMP C[C@@H]1CCN(CC(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2O)C1 ZINC000970642923 668268267 /nfs/dbraw/zinc/26/82/67/668268267.db2.gz FEKSMFMIMSZBNM-YUELXQCFSA-N 2 1 349.435 -1.008 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2O)C1 ZINC000970642923 668268261 /nfs/dbraw/zinc/26/82/61/668268261.db2.gz FEKSMFMIMSZBNM-YUELXQCFSA-N 2 1 349.435 -1.008 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000970713420 668281101 /nfs/dbraw/zinc/28/11/01/668281101.db2.gz WXPVRWRSBHKZJS-CHWSQXEVSA-N 2 1 337.424 -1.913 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000970713421 668280733 /nfs/dbraw/zinc/28/07/33/668280733.db2.gz WXPVRWRSBHKZJS-QWHCGFSZSA-N 2 1 337.424 -1.913 20 0 EAADMP Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC000970715407 668281146 /nfs/dbraw/zinc/28/11/46/668281146.db2.gz VRLAVYDQUBBHCW-CHWSQXEVSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC000970715409 668280839 /nfs/dbraw/zinc/28/08/39/668280839.db2.gz VRLAVYDQUBBHCW-QWHCGFSZSA-N 2 1 349.435 -1.274 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC000970723487 668281716 /nfs/dbraw/zinc/28/17/16/668281716.db2.gz AJBCDSNACOJPQL-CYBMUJFWSA-N 2 1 348.407 -1.660 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000970724952 668281472 /nfs/dbraw/zinc/28/14/72/668281472.db2.gz YXQRUEHLBIJJBN-GFCCVEGCSA-N 2 1 334.380 -1.066 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000970764758 668289627 /nfs/dbraw/zinc/28/96/27/668289627.db2.gz DOHYNJGDBPIVGC-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000970764758 668289622 /nfs/dbraw/zinc/28/96/22/668289622.db2.gz DOHYNJGDBPIVGC-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000970764768 668289742 /nfs/dbraw/zinc/28/97/42/668289742.db2.gz DOHYNJGDBPIVGC-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000970764768 668289737 /nfs/dbraw/zinc/28/97/37/668289737.db2.gz DOHYNJGDBPIVGC-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879383 668303512 /nfs/dbraw/zinc/30/35/12/668303512.db2.gz WEFWFTQIEZCABP-NEPJUHHUSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879384 668303457 /nfs/dbraw/zinc/30/34/57/668303457.db2.gz WEFWFTQIEZCABP-NWDGAFQWSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879385 668303647 /nfs/dbraw/zinc/30/36/47/668303647.db2.gz WEFWFTQIEZCABP-RYUDHWBXSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970879386 668303179 /nfs/dbraw/zinc/30/31/79/668303179.db2.gz WEFWFTQIEZCABP-VXGBXAGGSA-N 2 1 337.424 -1.074 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976309009 668234540 /nfs/dbraw/zinc/23/45/40/668234540.db2.gz HOPPNABWICEZLL-BARDWOONSA-N 2 1 348.447 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976309009 668234537 /nfs/dbraw/zinc/23/45/37/668234537.db2.gz HOPPNABWICEZLL-BARDWOONSA-N 2 1 348.447 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976309014 668234805 /nfs/dbraw/zinc/23/48/05/668234805.db2.gz HOPPNABWICEZLL-LJISPDSOSA-N 2 1 348.447 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976309014 668234803 /nfs/dbraw/zinc/23/48/03/668234803.db2.gz HOPPNABWICEZLL-LJISPDSOSA-N 2 1 348.447 -1.014 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000976310987 668235731 /nfs/dbraw/zinc/23/57/31/668235731.db2.gz GZIHIBUFDWCOHH-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000976310987 668235729 /nfs/dbraw/zinc/23/57/29/668235729.db2.gz GZIHIBUFDWCOHH-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000976310987 668235728 /nfs/dbraw/zinc/23/57/28/668235728.db2.gz GZIHIBUFDWCOHH-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000976310987 668235726 /nfs/dbraw/zinc/23/57/26/668235726.db2.gz GZIHIBUFDWCOHH-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000976310988 668235560 /nfs/dbraw/zinc/23/55/60/668235560.db2.gz GZIHIBUFDWCOHH-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000976310988 668235556 /nfs/dbraw/zinc/23/55/56/668235556.db2.gz GZIHIBUFDWCOHH-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000976310988 668235549 /nfs/dbraw/zinc/23/55/49/668235549.db2.gz GZIHIBUFDWCOHH-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000976310988 668235546 /nfs/dbraw/zinc/23/55/46/668235546.db2.gz GZIHIBUFDWCOHH-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000976310989 668235609 /nfs/dbraw/zinc/23/56/09/668235609.db2.gz GZIHIBUFDWCOHH-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000976310989 668235603 /nfs/dbraw/zinc/23/56/03/668235603.db2.gz GZIHIBUFDWCOHH-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000976310989 668235598 /nfs/dbraw/zinc/23/55/98/668235598.db2.gz GZIHIBUFDWCOHH-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000976310989 668235592 /nfs/dbraw/zinc/23/55/92/668235592.db2.gz GZIHIBUFDWCOHH-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000976310990 668235696 /nfs/dbraw/zinc/23/56/96/668235696.db2.gz GZIHIBUFDWCOHH-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000976310990 668235694 /nfs/dbraw/zinc/23/56/94/668235694.db2.gz GZIHIBUFDWCOHH-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000976310990 668235693 /nfs/dbraw/zinc/23/56/93/668235693.db2.gz GZIHIBUFDWCOHH-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000976310990 668235691 /nfs/dbraw/zinc/23/56/91/668235691.db2.gz GZIHIBUFDWCOHH-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000976538535 668260630 /nfs/dbraw/zinc/26/06/30/668260630.db2.gz YGQSDDQBMTVUOK-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000976538535 668260627 /nfs/dbraw/zinc/26/06/27/668260627.db2.gz YGQSDDQBMTVUOK-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538535 668260622 /nfs/dbraw/zinc/26/06/22/668260622.db2.gz YGQSDDQBMTVUOK-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538535 668260618 /nfs/dbraw/zinc/26/06/18/668260618.db2.gz YGQSDDQBMTVUOK-MRLBHPIUSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000976538541 668260677 /nfs/dbraw/zinc/26/06/77/668260677.db2.gz YGQSDDQBMTVUOK-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000976538541 668260675 /nfs/dbraw/zinc/26/06/75/668260675.db2.gz YGQSDDQBMTVUOK-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538541 668260670 /nfs/dbraw/zinc/26/06/70/668260670.db2.gz YGQSDDQBMTVUOK-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538541 668260666 /nfs/dbraw/zinc/26/06/66/668260666.db2.gz YGQSDDQBMTVUOK-QMIVOQANSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000976538552 668260353 /nfs/dbraw/zinc/26/03/53/668260353.db2.gz YGQSDDQBMTVUOK-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000976538552 668260347 /nfs/dbraw/zinc/26/03/47/668260347.db2.gz YGQSDDQBMTVUOK-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538552 668260344 /nfs/dbraw/zinc/26/03/44/668260344.db2.gz YGQSDDQBMTVUOK-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538552 668260340 /nfs/dbraw/zinc/26/03/40/668260340.db2.gz YGQSDDQBMTVUOK-SBJFKYEJSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]32)C1 ZINC000976538563 668260488 /nfs/dbraw/zinc/26/04/88/668260488.db2.gz YGQSDDQBMTVUOK-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]32)C1 ZINC000976538563 668260484 /nfs/dbraw/zinc/26/04/84/668260484.db2.gz YGQSDDQBMTVUOK-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538563 668260482 /nfs/dbraw/zinc/26/04/82/668260482.db2.gz YGQSDDQBMTVUOK-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]32)C1 ZINC000976538563 668260478 /nfs/dbraw/zinc/26/04/78/668260478.db2.gz YGQSDDQBMTVUOK-VQJWOFKYSA-N 2 1 336.436 -1.158 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976865336 668306239 /nfs/dbraw/zinc/30/62/39/668306239.db2.gz ULPKNHIZPSGGDU-BARDWOONSA-N 2 1 348.447 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976865336 668306235 /nfs/dbraw/zinc/30/62/35/668306235.db2.gz ULPKNHIZPSGGDU-BARDWOONSA-N 2 1 348.447 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976865339 668306368 /nfs/dbraw/zinc/30/63/68/668306368.db2.gz ULPKNHIZPSGGDU-LJISPDSOSA-N 2 1 348.447 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976865339 668306363 /nfs/dbraw/zinc/30/63/63/668306363.db2.gz ULPKNHIZPSGGDU-LJISPDSOSA-N 2 1 348.447 -1.014 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977915619 668395039 /nfs/dbraw/zinc/39/50/39/668395039.db2.gz CXHSXUUXHXNUND-FQUUOJAGSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977915619 668395033 /nfs/dbraw/zinc/39/50/33/668395033.db2.gz CXHSXUUXHXNUND-FQUUOJAGSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977915630 668395092 /nfs/dbraw/zinc/39/50/92/668395092.db2.gz CXHSXUUXHXNUND-YIYPIFLZSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977915630 668395087 /nfs/dbraw/zinc/39/50/87/668395087.db2.gz CXHSXUUXHXNUND-YIYPIFLZSA-N 2 1 349.435 -1.074 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977915630 668395083 /nfs/dbraw/zinc/39/50/83/668395083.db2.gz CXHSXUUXHXNUND-YIYPIFLZSA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC000977958741 668396718 /nfs/dbraw/zinc/39/67/18/668396718.db2.gz UOGPVCIRAXKGEE-APIJFGDWSA-N 2 1 334.424 -1.097 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000977958741 668396715 /nfs/dbraw/zinc/39/67/15/668396715.db2.gz UOGPVCIRAXKGEE-APIJFGDWSA-N 2 1 334.424 -1.097 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000977958741 668396712 /nfs/dbraw/zinc/39/67/12/668396712.db2.gz UOGPVCIRAXKGEE-APIJFGDWSA-N 2 1 334.424 -1.097 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000977958741 668396705 /nfs/dbraw/zinc/39/67/05/668396705.db2.gz UOGPVCIRAXKGEE-APIJFGDWSA-N 2 1 334.424 -1.097 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)C1 ZINC000977958746 668396405 /nfs/dbraw/zinc/39/64/05/668396405.db2.gz UOGPVCIRAXKGEE-XQLPTFJDSA-N 2 1 334.424 -1.097 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000977958746 668396402 /nfs/dbraw/zinc/39/64/02/668396402.db2.gz UOGPVCIRAXKGEE-XQLPTFJDSA-N 2 1 334.424 -1.097 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000977958746 668396400 /nfs/dbraw/zinc/39/64/00/668396400.db2.gz UOGPVCIRAXKGEE-XQLPTFJDSA-N 2 1 334.424 -1.097 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)C1 ZINC000977958746 668396395 /nfs/dbraw/zinc/39/63/95/668396395.db2.gz UOGPVCIRAXKGEE-XQLPTFJDSA-N 2 1 334.424 -1.097 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)n1 ZINC000978180857 668409560 /nfs/dbraw/zinc/40/95/60/668409560.db2.gz OXIFMUHZRNFOMO-XYYAHUGASA-N 2 1 334.424 -1.162 20 0 EAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553305 668432498 /nfs/dbraw/zinc/43/24/98/668432498.db2.gz HCSFDTTWIVMDID-PXNUUXHUSA-N 2 1 348.447 -1.110 20 0 EAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553305 668432497 /nfs/dbraw/zinc/43/24/97/668432497.db2.gz HCSFDTTWIVMDID-PXNUUXHUSA-N 2 1 348.447 -1.110 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553305 668432495 /nfs/dbraw/zinc/43/24/95/668432495.db2.gz HCSFDTTWIVMDID-PXNUUXHUSA-N 2 1 348.447 -1.110 20 0 EAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553311 668432473 /nfs/dbraw/zinc/43/24/73/668432473.db2.gz HCSFDTTWIVMDID-XMUFFDMDSA-N 2 1 348.447 -1.110 20 0 EAADMP CNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553311 668432472 /nfs/dbraw/zinc/43/24/72/668432472.db2.gz HCSFDTTWIVMDID-XMUFFDMDSA-N 2 1 348.447 -1.110 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553311 668432471 /nfs/dbraw/zinc/43/24/71/668432471.db2.gz HCSFDTTWIVMDID-XMUFFDMDSA-N 2 1 348.447 -1.110 20 0 EAADMP NC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564470 668432950 /nfs/dbraw/zinc/43/29/50/668432950.db2.gz VPYWSTTXYATBGR-BKIWLAKTSA-N 2 1 334.420 -1.371 20 0 EAADMP NC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564470 668432948 /nfs/dbraw/zinc/43/29/48/668432948.db2.gz VPYWSTTXYATBGR-BKIWLAKTSA-N 2 1 334.420 -1.371 20 0 EAADMP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564470 668432946 /nfs/dbraw/zinc/43/29/46/668432946.db2.gz VPYWSTTXYATBGR-BKIWLAKTSA-N 2 1 334.420 -1.371 20 0 EAADMP NC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564480 668432992 /nfs/dbraw/zinc/43/29/92/668432992.db2.gz VPYWSTTXYATBGR-WFAABECBSA-N 2 1 334.420 -1.371 20 0 EAADMP NC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564480 668432991 /nfs/dbraw/zinc/43/29/91/668432991.db2.gz VPYWSTTXYATBGR-WFAABECBSA-N 2 1 334.420 -1.371 20 0 EAADMP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978564480 668432989 /nfs/dbraw/zinc/43/29/89/668432989.db2.gz VPYWSTTXYATBGR-WFAABECBSA-N 2 1 334.420 -1.371 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC(N)=O)C[C@H]32)cn1 ZINC000978834613 668448286 /nfs/dbraw/zinc/44/82/86/668448286.db2.gz BAQFZFZGDGTUJX-ZSOGYDGISA-N 2 1 334.424 -1.162 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090347 668459831 /nfs/dbraw/zinc/45/98/31/668459831.db2.gz UHOPTZZTQPVPLC-SYQHCUMBSA-N 2 1 349.435 -1.216 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090347 668459828 /nfs/dbraw/zinc/45/98/28/668459828.db2.gz UHOPTZZTQPVPLC-SYQHCUMBSA-N 2 1 349.435 -1.216 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090347 668459825 /nfs/dbraw/zinc/45/98/25/668459825.db2.gz UHOPTZZTQPVPLC-SYQHCUMBSA-N 2 1 349.435 -1.216 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090362 668459720 /nfs/dbraw/zinc/45/97/20/668459720.db2.gz UHOPTZZTQPVPLC-XDQVBPFNSA-N 2 1 349.435 -1.216 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090362 668459718 /nfs/dbraw/zinc/45/97/18/668459718.db2.gz UHOPTZZTQPVPLC-XDQVBPFNSA-N 2 1 349.435 -1.216 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC000979090362 668459714 /nfs/dbraw/zinc/45/97/14/668459714.db2.gz UHOPTZZTQPVPLC-XDQVBPFNSA-N 2 1 349.435 -1.216 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397805 668828154 /nfs/dbraw/zinc/82/81/54/668828154.db2.gz NZXRQCDGELYPAD-CYDGBPFRSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397805 668828151 /nfs/dbraw/zinc/82/81/51/668828151.db2.gz NZXRQCDGELYPAD-CYDGBPFRSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397828 668828462 /nfs/dbraw/zinc/82/84/62/668828462.db2.gz NZXRQCDGELYPAD-FDYHWXHSSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397828 668828459 /nfs/dbraw/zinc/82/84/59/668828459.db2.gz NZXRQCDGELYPAD-FDYHWXHSSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397829 668828432 /nfs/dbraw/zinc/82/84/32/668828432.db2.gz NZXRQCDGELYPAD-LPWJVIDDSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397829 668828430 /nfs/dbraw/zinc/82/84/30/668828430.db2.gz NZXRQCDGELYPAD-LPWJVIDDSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397831 668828495 /nfs/dbraw/zinc/82/84/95/668828495.db2.gz NZXRQCDGELYPAD-ZDEQEGDKSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000983397831 668828494 /nfs/dbraw/zinc/82/84/94/668828494.db2.gz NZXRQCDGELYPAD-ZDEQEGDKSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571053 669237964 /nfs/dbraw/zinc/23/79/64/669237964.db2.gz SYEMGCZCZBBNIM-CHWSQXEVSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571053 669237962 /nfs/dbraw/zinc/23/79/62/669237962.db2.gz SYEMGCZCZBBNIM-CHWSQXEVSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571055 669237999 /nfs/dbraw/zinc/23/79/99/669237999.db2.gz SYEMGCZCZBBNIM-OLZOCXBDSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571055 669237996 /nfs/dbraw/zinc/23/79/96/669237996.db2.gz SYEMGCZCZBBNIM-OLZOCXBDSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571058 669238032 /nfs/dbraw/zinc/23/80/32/669238032.db2.gz SYEMGCZCZBBNIM-QWHCGFSZSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571058 669238027 /nfs/dbraw/zinc/23/80/27/669238027.db2.gz SYEMGCZCZBBNIM-QWHCGFSZSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571060 669238084 /nfs/dbraw/zinc/23/80/84/669238084.db2.gz SYEMGCZCZBBNIM-STQMWFEESA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000990571060 669238082 /nfs/dbraw/zinc/23/80/82/669238082.db2.gz SYEMGCZCZBBNIM-STQMWFEESA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000990572026 669238098 /nfs/dbraw/zinc/23/80/98/669238098.db2.gz WYGDXZLHROZMRF-AWEZNQCLSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000990572026 669238095 /nfs/dbraw/zinc/23/80/95/669238095.db2.gz WYGDXZLHROZMRF-AWEZNQCLSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000990572030 669238200 /nfs/dbraw/zinc/23/82/00/669238200.db2.gz WYGDXZLHROZMRF-CQSZACIVSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000990572030 669238196 /nfs/dbraw/zinc/23/81/96/669238196.db2.gz WYGDXZLHROZMRF-CQSZACIVSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628179 669245914 /nfs/dbraw/zinc/24/59/14/669245914.db2.gz FSPFXFQHLRRACX-CABCVRRESA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628179 669245908 /nfs/dbraw/zinc/24/59/08/669245908.db2.gz FSPFXFQHLRRACX-CABCVRRESA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628181 669245897 /nfs/dbraw/zinc/24/58/97/669245897.db2.gz FSPFXFQHLRRACX-GJZGRUSLSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628181 669245892 /nfs/dbraw/zinc/24/58/92/669245892.db2.gz FSPFXFQHLRRACX-GJZGRUSLSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628183 669246567 /nfs/dbraw/zinc/24/65/67/669246567.db2.gz FSPFXFQHLRRACX-HUUCEWRRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628183 669246561 /nfs/dbraw/zinc/24/65/61/669246561.db2.gz FSPFXFQHLRRACX-HUUCEWRRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628187 669246472 /nfs/dbraw/zinc/24/64/72/669246472.db2.gz FSPFXFQHLRRACX-LSDHHAIUSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000990628187 669246466 /nfs/dbraw/zinc/24/64/66/669246466.db2.gz FSPFXFQHLRRACX-LSDHHAIUSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892733 669751744 /nfs/dbraw/zinc/75/17/44/669751744.db2.gz HABVLGOYCHJECI-CABCVRRESA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892733 669751741 /nfs/dbraw/zinc/75/17/41/669751741.db2.gz HABVLGOYCHJECI-CABCVRRESA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892736 669751766 /nfs/dbraw/zinc/75/17/66/669751766.db2.gz HABVLGOYCHJECI-GJZGRUSLSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892736 669751763 /nfs/dbraw/zinc/75/17/63/669751763.db2.gz HABVLGOYCHJECI-GJZGRUSLSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892738 669751641 /nfs/dbraw/zinc/75/16/41/669751641.db2.gz HABVLGOYCHJECI-HUUCEWRRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892738 669751639 /nfs/dbraw/zinc/75/16/39/669751639.db2.gz HABVLGOYCHJECI-HUUCEWRRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892741 669751629 /nfs/dbraw/zinc/75/16/29/669751629.db2.gz HABVLGOYCHJECI-LSDHHAIUSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991892741 669751625 /nfs/dbraw/zinc/75/16/25/669751625.db2.gz HABVLGOYCHJECI-LSDHHAIUSA-N 2 1 336.436 -1.014 20 0 EAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998586846 669903968 /nfs/dbraw/zinc/90/39/68/669903968.db2.gz RFBIUJDPJSPCHM-JXQTWKCFSA-N 2 1 339.440 -1.079 20 0 EAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998586846 669903965 /nfs/dbraw/zinc/90/39/65/669903965.db2.gz RFBIUJDPJSPCHM-JXQTWKCFSA-N 2 1 339.440 -1.079 20 0 EAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998586852 669903734 /nfs/dbraw/zinc/90/37/34/669903734.db2.gz RFBIUJDPJSPCHM-RUXDESIVSA-N 2 1 339.440 -1.079 20 0 EAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998586852 669903731 /nfs/dbraw/zinc/90/37/31/669903731.db2.gz RFBIUJDPJSPCHM-RUXDESIVSA-N 2 1 339.440 -1.079 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824287 669913981 /nfs/dbraw/zinc/91/39/81/669913981.db2.gz JXLLYFYXYGIRSL-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824287 669913979 /nfs/dbraw/zinc/91/39/79/669913979.db2.gz JXLLYFYXYGIRSL-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824301 669914168 /nfs/dbraw/zinc/91/41/68/669914168.db2.gz JXLLYFYXYGIRSL-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824301 669914167 /nfs/dbraw/zinc/91/41/67/669914167.db2.gz JXLLYFYXYGIRSL-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824312 669914015 /nfs/dbraw/zinc/91/40/15/669914015.db2.gz JXLLYFYXYGIRSL-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824312 669914013 /nfs/dbraw/zinc/91/40/13/669914013.db2.gz JXLLYFYXYGIRSL-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824323 669914106 /nfs/dbraw/zinc/91/41/06/669914106.db2.gz JXLLYFYXYGIRSL-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000998824323 669914104 /nfs/dbraw/zinc/91/41/04/669914104.db2.gz JXLLYFYXYGIRSL-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CC(N)=O)C3)nn2)CC[NH+]1C ZINC000999987489 668924160 /nfs/dbraw/zinc/92/41/60/668924160.db2.gz OMYIADYTTGIUNE-KWCYVHTRSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CC(N)=O)C3)nn2)CC[NH+]1C ZINC000999987489 668924157 /nfs/dbraw/zinc/92/41/57/668924157.db2.gz OMYIADYTTGIUNE-KWCYVHTRSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CC(N)=O)C3)nn2)CC[N@H+]1C ZINC000999987489 668924152 /nfs/dbraw/zinc/92/41/52/668924152.db2.gz OMYIADYTTGIUNE-KWCYVHTRSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CC(N)=O)C3)nn2)CC[N@@H+]1C ZINC000999987489 668924149 /nfs/dbraw/zinc/92/41/49/668924149.db2.gz OMYIADYTTGIUNE-KWCYVHTRSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CC(N)=O)C3)nn2)CC[NH+]1C ZINC000999987491 668924377 /nfs/dbraw/zinc/92/43/77/668924377.db2.gz OMYIADYTTGIUNE-MRVWCRGKSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CC(N)=O)C3)nn2)CC[NH+]1C ZINC000999987491 668924373 /nfs/dbraw/zinc/92/43/73/668924373.db2.gz OMYIADYTTGIUNE-MRVWCRGKSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC(N)=O)C3)nn2)CC[N@H+]1C ZINC000999987491 668924370 /nfs/dbraw/zinc/92/43/70/668924370.db2.gz OMYIADYTTGIUNE-MRVWCRGKSA-N 2 1 349.439 -1.033 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC(N)=O)C3)nn2)CC[N@@H+]1C ZINC000999987491 668924366 /nfs/dbraw/zinc/92/43/66/668924366.db2.gz OMYIADYTTGIUNE-MRVWCRGKSA-N 2 1 349.439 -1.033 20 0 EAADMP C[NH+]1CCC(C(=O)NCc2cn([C@H]3CC[N@@H+](CC(N)=O)C3)nn2)CC1 ZINC001000023126 672434808 /nfs/dbraw/zinc/43/48/08/672434808.db2.gz YBLBHCVDAZWGGP-AWEZNQCLSA-N 2 1 349.439 -1.032 20 0 EAADMP C[NH+]1CCC(C(=O)NCc2cn([C@H]3CC[N@H+](CC(N)=O)C3)nn2)CC1 ZINC001000023126 672434807 /nfs/dbraw/zinc/43/48/07/672434807.db2.gz YBLBHCVDAZWGGP-AWEZNQCLSA-N 2 1 349.439 -1.032 20 0 EAADMP C[NH+]1CCC(C(=O)NCc2cn([C@@H]3CC[N@@H+](CC(N)=O)C3)nn2)CC1 ZINC001000023128 672434723 /nfs/dbraw/zinc/43/47/23/672434723.db2.gz YBLBHCVDAZWGGP-CQSZACIVSA-N 2 1 349.439 -1.032 20 0 EAADMP C[NH+]1CCC(C(=O)NCc2cn([C@@H]3CC[N@H+](CC(N)=O)C3)nn2)CC1 ZINC001000023128 672434721 /nfs/dbraw/zinc/43/47/21/672434721.db2.gz YBLBHCVDAZWGGP-CQSZACIVSA-N 2 1 349.439 -1.032 20 0 EAADMP NC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035466 672435889 /nfs/dbraw/zinc/43/58/89/672435889.db2.gz NRBKMJYKMOKFNB-CYBMUJFWSA-N 2 1 347.423 -1.278 20 0 EAADMP NC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035466 672435888 /nfs/dbraw/zinc/43/58/88/672435888.db2.gz NRBKMJYKMOKFNB-CYBMUJFWSA-N 2 1 347.423 -1.278 20 0 EAADMP NC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035472 672436019 /nfs/dbraw/zinc/43/60/19/672436019.db2.gz NRBKMJYKMOKFNB-ZDUSSCGKSA-N 2 1 347.423 -1.278 20 0 EAADMP NC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035472 672436018 /nfs/dbraw/zinc/43/60/18/672436018.db2.gz NRBKMJYKMOKFNB-ZDUSSCGKSA-N 2 1 347.423 -1.278 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CC(N)=O)C3)nn2)C1 ZINC001000044011 672436309 /nfs/dbraw/zinc/43/63/09/672436309.db2.gz LONXLRADHOSQPW-AAEUAGOBSA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCc2cn([C@H]3CC[N@H+](CC(N)=O)C3)nn2)C1 ZINC001000044011 672436305 /nfs/dbraw/zinc/43/63/05/672436305.db2.gz LONXLRADHOSQPW-AAEUAGOBSA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044011 672436300 /nfs/dbraw/zinc/43/63/00/672436300.db2.gz LONXLRADHOSQPW-AAEUAGOBSA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044011 672436293 /nfs/dbraw/zinc/43/62/93/672436293.db2.gz LONXLRADHOSQPW-AAEUAGOBSA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CC(N)=O)C3)nn2)C1 ZINC001000044014 672436432 /nfs/dbraw/zinc/43/64/32/672436432.db2.gz LONXLRADHOSQPW-DGCLKSJQSA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CC(N)=O)C3)nn2)C1 ZINC001000044014 672436431 /nfs/dbraw/zinc/43/64/31/672436431.db2.gz LONXLRADHOSQPW-DGCLKSJQSA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044014 672436430 /nfs/dbraw/zinc/43/64/30/672436430.db2.gz LONXLRADHOSQPW-DGCLKSJQSA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044014 672436428 /nfs/dbraw/zinc/43/64/28/672436428.db2.gz LONXLRADHOSQPW-DGCLKSJQSA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCc2cn([C@@H]3CC[N@@H+](CC(N)=O)C3)nn2)C1 ZINC001000044016 672436418 /nfs/dbraw/zinc/43/64/18/672436418.db2.gz LONXLRADHOSQPW-WCQYABFASA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCc2cn([C@@H]3CC[N@H+](CC(N)=O)C3)nn2)C1 ZINC001000044016 672436415 /nfs/dbraw/zinc/43/64/15/672436415.db2.gz LONXLRADHOSQPW-WCQYABFASA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044016 672436414 /nfs/dbraw/zinc/43/64/14/672436414.db2.gz LONXLRADHOSQPW-WCQYABFASA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044016 672436412 /nfs/dbraw/zinc/43/64/12/672436412.db2.gz LONXLRADHOSQPW-WCQYABFASA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCc2cn([C@H]3CC[N@@H+](CC(N)=O)C3)nn2)C1 ZINC001000044018 672436261 /nfs/dbraw/zinc/43/62/61/672436261.db2.gz LONXLRADHOSQPW-YPMHNXCESA-N 2 1 335.412 -1.422 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCc2cn([C@H]3CC[N@H+](CC(N)=O)C3)nn2)C1 ZINC001000044018 672436257 /nfs/dbraw/zinc/43/62/57/672436257.db2.gz LONXLRADHOSQPW-YPMHNXCESA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044018 672436252 /nfs/dbraw/zinc/43/62/52/672436252.db2.gz LONXLRADHOSQPW-YPMHNXCESA-N 2 1 335.412 -1.422 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CC(N)=O)C3)nn2)C1 ZINC001000044018 672436250 /nfs/dbraw/zinc/43/62/50/672436250.db2.gz LONXLRADHOSQPW-YPMHNXCESA-N 2 1 335.412 -1.422 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000047216 672436495 /nfs/dbraw/zinc/43/64/95/672436495.db2.gz ZJOYWLGZKMMOKM-GXTWGEPZSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000047216 672436494 /nfs/dbraw/zinc/43/64/94/672436494.db2.gz ZJOYWLGZKMMOKM-GXTWGEPZSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047216 672436493 /nfs/dbraw/zinc/43/64/93/672436493.db2.gz ZJOYWLGZKMMOKM-GXTWGEPZSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047216 672436492 /nfs/dbraw/zinc/43/64/92/672436492.db2.gz ZJOYWLGZKMMOKM-GXTWGEPZSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000047221 672436487 /nfs/dbraw/zinc/43/64/87/672436487.db2.gz ZJOYWLGZKMMOKM-JSGCOSHPSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000047221 672436486 /nfs/dbraw/zinc/43/64/86/672436486.db2.gz ZJOYWLGZKMMOKM-JSGCOSHPSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047221 672436485 /nfs/dbraw/zinc/43/64/85/672436485.db2.gz ZJOYWLGZKMMOKM-JSGCOSHPSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047221 672436484 /nfs/dbraw/zinc/43/64/84/672436484.db2.gz ZJOYWLGZKMMOKM-JSGCOSHPSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000047222 672436397 /nfs/dbraw/zinc/43/63/97/672436397.db2.gz ZJOYWLGZKMMOKM-OCCSQVGLSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000047222 672436395 /nfs/dbraw/zinc/43/63/95/672436395.db2.gz ZJOYWLGZKMMOKM-OCCSQVGLSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047222 672436392 /nfs/dbraw/zinc/43/63/92/672436392.db2.gz ZJOYWLGZKMMOKM-OCCSQVGLSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047222 672436389 /nfs/dbraw/zinc/43/63/89/672436389.db2.gz ZJOYWLGZKMMOKM-OCCSQVGLSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000047224 672436472 /nfs/dbraw/zinc/43/64/72/672436472.db2.gz ZJOYWLGZKMMOKM-TZMCWYRMSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000047224 672436471 /nfs/dbraw/zinc/43/64/71/672436471.db2.gz ZJOYWLGZKMMOKM-TZMCWYRMSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047224 672436470 /nfs/dbraw/zinc/43/64/70/672436470.db2.gz ZJOYWLGZKMMOKM-TZMCWYRMSA-N 2 1 349.439 -1.161 20 0 EAADMP CNC(=O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000047224 672436469 /nfs/dbraw/zinc/43/64/69/672436469.db2.gz ZJOYWLGZKMMOKM-TZMCWYRMSA-N 2 1 349.439 -1.161 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001001296997 672557260 /nfs/dbraw/zinc/55/72/60/672557260.db2.gz PMPWZGWVPQFUID-AWEZNQCLSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001001296997 672557257 /nfs/dbraw/zinc/55/72/57/672557257.db2.gz PMPWZGWVPQFUID-AWEZNQCLSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001001296999 672557218 /nfs/dbraw/zinc/55/72/18/672557218.db2.gz PMPWZGWVPQFUID-CQSZACIVSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001001296999 672557216 /nfs/dbraw/zinc/55/72/16/672557216.db2.gz PMPWZGWVPQFUID-CQSZACIVSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003330582 669090276 /nfs/dbraw/zinc/09/02/76/669090276.db2.gz GJNNFKXWFZPBMH-AWEZNQCLSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003330582 669090270 /nfs/dbraw/zinc/09/02/70/669090270.db2.gz GJNNFKXWFZPBMH-AWEZNQCLSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003330583 669090056 /nfs/dbraw/zinc/09/00/56/669090056.db2.gz GJNNFKXWFZPBMH-CQSZACIVSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003330583 669090051 /nfs/dbraw/zinc/09/00/51/669090051.db2.gz GJNNFKXWFZPBMH-CQSZACIVSA-N 2 1 336.436 -1.013 20 0 EAADMP CN1CCO[C@H](C(=O)N[C@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001006994923 672460216 /nfs/dbraw/zinc/46/02/16/672460216.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994923 672460210 /nfs/dbraw/zinc/46/02/10/672460210.db2.gz BRLHCDWOPQOZSF-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@H](C(=O)N[C@@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001006994926 672460191 /nfs/dbraw/zinc/46/01/91/672460191.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994926 672460189 /nfs/dbraw/zinc/46/01/89/672460189.db2.gz BRLHCDWOPQOZSF-KGLIPLIRSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@@H](C(=O)N[C@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001006994929 672460173 /nfs/dbraw/zinc/46/01/73/672460173.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994929 672460170 /nfs/dbraw/zinc/46/01/70/672460170.db2.gz BRLHCDWOPQOZSF-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(CCN3CCNC3=O)C2)C1 ZINC001006994930 672460119 /nfs/dbraw/zinc/46/01/19/672460119.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP CN1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001006994930 672460118 /nfs/dbraw/zinc/46/01/18/672460118.db2.gz BRLHCDWOPQOZSF-ZIAGYGMSSA-N 2 1 339.440 -1.077 20 0 EAADMP O=C(N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016004613 672872304 /nfs/dbraw/zinc/87/23/04/672872304.db2.gz ZLSDDCWKFVKUGF-GFCCVEGCSA-N 2 1 335.408 -1.176 20 0 EAADMP O=C(N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016004614 672872569 /nfs/dbraw/zinc/87/25/69/672872569.db2.gz ZLSDDCWKFVKUGF-LBPRGKRZSA-N 2 1 335.408 -1.176 20 0 EAADMP Cn1c(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250895 672883017 /nfs/dbraw/zinc/88/30/17/672883017.db2.gz RQHWUXGSEJAUEK-CHWSQXEVSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250895 672883011 /nfs/dbraw/zinc/88/30/11/672883011.db2.gz RQHWUXGSEJAUEK-CHWSQXEVSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250895 672883004 /nfs/dbraw/zinc/88/30/04/672883004.db2.gz RQHWUXGSEJAUEK-CHWSQXEVSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250895 672882998 /nfs/dbraw/zinc/88/29/98/672882998.db2.gz RQHWUXGSEJAUEK-CHWSQXEVSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250896 672883646 /nfs/dbraw/zinc/88/36/46/672883646.db2.gz RQHWUXGSEJAUEK-OLZOCXBDSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250896 672883640 /nfs/dbraw/zinc/88/36/40/672883640.db2.gz RQHWUXGSEJAUEK-OLZOCXBDSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250896 672883638 /nfs/dbraw/zinc/88/36/38/672883638.db2.gz RQHWUXGSEJAUEK-OLZOCXBDSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250896 672883633 /nfs/dbraw/zinc/88/36/33/672883633.db2.gz RQHWUXGSEJAUEK-OLZOCXBDSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250897 672883779 /nfs/dbraw/zinc/88/37/79/672883779.db2.gz RQHWUXGSEJAUEK-QWHCGFSZSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250897 672883774 /nfs/dbraw/zinc/88/37/74/672883774.db2.gz RQHWUXGSEJAUEK-QWHCGFSZSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250897 672883770 /nfs/dbraw/zinc/88/37/70/672883770.db2.gz RQHWUXGSEJAUEK-QWHCGFSZSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250897 672883766 /nfs/dbraw/zinc/88/37/66/672883766.db2.gz RQHWUXGSEJAUEK-QWHCGFSZSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250898 672883311 /nfs/dbraw/zinc/88/33/11/672883311.db2.gz RQHWUXGSEJAUEK-STQMWFEESA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250898 672883308 /nfs/dbraw/zinc/88/33/08/672883308.db2.gz RQHWUXGSEJAUEK-STQMWFEESA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250898 672883306 /nfs/dbraw/zinc/88/33/06/672883306.db2.gz RQHWUXGSEJAUEK-STQMWFEESA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc(=O)n(C)c1=O ZINC001016250898 672883302 /nfs/dbraw/zinc/88/33/02/672883302.db2.gz RQHWUXGSEJAUEK-STQMWFEESA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001018615701 672953779 /nfs/dbraw/zinc/95/37/79/672953779.db2.gz BUKCLBOCLQFGBV-GXTWGEPZSA-N 2 1 349.435 -1.131 20 0 EAADMP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001018615702 672953846 /nfs/dbraw/zinc/95/38/46/672953846.db2.gz BUKCLBOCLQFGBV-JSGCOSHPSA-N 2 1 349.435 -1.131 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018635836 672954777 /nfs/dbraw/zinc/95/47/77/672954777.db2.gz SLGTYUKNTCQZLT-QWHCGFSZSA-N 2 1 337.424 -1.771 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001018635852 672954879 /nfs/dbraw/zinc/95/48/79/672954879.db2.gz SLGTYUKNTCQZLT-STQMWFEESA-N 2 1 337.424 -1.771 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001018664291 672955747 /nfs/dbraw/zinc/95/57/47/672955747.db2.gz BNDUAQXHVXJOEB-NWDGAFQWSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001018664291 672955744 /nfs/dbraw/zinc/95/57/44/672955744.db2.gz BNDUAQXHVXJOEB-NWDGAFQWSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001018664292 672955815 /nfs/dbraw/zinc/95/58/15/672955815.db2.gz BNDUAQXHVXJOEB-RYUDHWBXSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001018664292 672955812 /nfs/dbraw/zinc/95/58/12/672955812.db2.gz BNDUAQXHVXJOEB-RYUDHWBXSA-N 2 1 339.396 -1.941 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001018665664 672955899 /nfs/dbraw/zinc/95/58/99/672955899.db2.gz VUAPIVCETPRZNA-QWHCGFSZSA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001018665664 672955896 /nfs/dbraw/zinc/95/58/96/672955896.db2.gz VUAPIVCETPRZNA-QWHCGFSZSA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001018665665 672955635 /nfs/dbraw/zinc/95/56/35/672955635.db2.gz VUAPIVCETPRZNA-STQMWFEESA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001018665665 672955632 /nfs/dbraw/zinc/95/56/32/672955632.db2.gz VUAPIVCETPRZNA-STQMWFEESA-N 2 1 325.413 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001018665809 672956022 /nfs/dbraw/zinc/95/60/22/672956022.db2.gz XQSWRBHQOINWNA-QWHCGFSZSA-N 2 1 338.408 -1.344 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001018665809 672956018 /nfs/dbraw/zinc/95/60/18/672956018.db2.gz XQSWRBHQOINWNA-QWHCGFSZSA-N 2 1 338.408 -1.344 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001018665810 672955789 /nfs/dbraw/zinc/95/57/89/672955789.db2.gz XQSWRBHQOINWNA-STQMWFEESA-N 2 1 338.408 -1.344 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001018665810 672955787 /nfs/dbraw/zinc/95/57/87/672955787.db2.gz XQSWRBHQOINWNA-STQMWFEESA-N 2 1 338.408 -1.344 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001018860868 672961832 /nfs/dbraw/zinc/96/18/32/672961832.db2.gz JJTTVGNTIWUHSC-LBPRGKRZSA-N 2 1 347.427 -1.028 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001019032245 672971442 /nfs/dbraw/zinc/97/14/42/672971442.db2.gz NBUDPUYMGWTLFX-HZSPNIEDSA-N 2 1 339.440 -1.079 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001019032245 672971439 /nfs/dbraw/zinc/97/14/39/672971439.db2.gz NBUDPUYMGWTLFX-HZSPNIEDSA-N 2 1 339.440 -1.079 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019152968 672979248 /nfs/dbraw/zinc/97/92/48/672979248.db2.gz KEPMSKWEAKNZMO-ZDUSSCGKSA-N 2 1 348.407 -1.660 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019153978 672979152 /nfs/dbraw/zinc/97/91/52/672979152.db2.gz UTFCCXLAJNDFKP-LBPRGKRZSA-N 2 1 334.380 -1.066 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168678 672980089 /nfs/dbraw/zinc/98/00/89/672980089.db2.gz QHHWSTFYNDOLTC-BTJONVMOSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168678 672980086 /nfs/dbraw/zinc/98/00/86/672980086.db2.gz QHHWSTFYNDOLTC-BTJONVMOSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001019168679 672979899 /nfs/dbraw/zinc/97/98/99/672979899.db2.gz QHHWSTFYNDOLTC-BWAOXVRWSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168679 672979893 /nfs/dbraw/zinc/97/98/93/672979893.db2.gz QHHWSTFYNDOLTC-BWAOXVRWSA-N 2 1 347.423 -1.236 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001019495983 673000176 /nfs/dbraw/zinc/00/01/76/673000176.db2.gz IRDFNYWYZWFOCP-ZDUSSCGKSA-N 2 1 347.427 -1.028 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019518266 673001551 /nfs/dbraw/zinc/00/15/51/673001551.db2.gz GLXNTDGJDJRPNS-QWHCGFSZSA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019518267 673001344 /nfs/dbraw/zinc/00/13/44/673001344.db2.gz GLXNTDGJDJRPNS-STQMWFEESA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019518540 673001329 /nfs/dbraw/zinc/00/13/29/673001329.db2.gz RXVVTYHKHQGRPD-AWEZNQCLSA-N 2 1 339.440 -1.076 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001019772929 668858502 /nfs/dbraw/zinc/85/85/02/668858502.db2.gz WXPVRWRSBHKZJS-OLZOCXBDSA-N 2 1 337.424 -1.913 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001019772930 668858337 /nfs/dbraw/zinc/85/83/37/668858337.db2.gz WXPVRWRSBHKZJS-STQMWFEESA-N 2 1 337.424 -1.913 20 0 EAADMP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001019775079 668858462 /nfs/dbraw/zinc/85/84/62/668858462.db2.gz VRLAVYDQUBBHCW-OLZOCXBDSA-N 2 1 349.435 -1.274 20 0 EAADMP Cn1c(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001019775080 668858209 /nfs/dbraw/zinc/85/82/09/668858209.db2.gz VRLAVYDQUBBHCW-STQMWFEESA-N 2 1 349.435 -1.274 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001019777825 673023568 /nfs/dbraw/zinc/02/35/68/673023568.db2.gz AJBCDSNACOJPQL-ZDUSSCGKSA-N 2 1 348.407 -1.660 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019778311 673023946 /nfs/dbraw/zinc/02/39/46/673023946.db2.gz YXQRUEHLBIJJBN-LBPRGKRZSA-N 2 1 334.380 -1.066 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019800291 673025308 /nfs/dbraw/zinc/02/53/08/673025308.db2.gz DOHYNJGDBPIVGC-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019800291 673025305 /nfs/dbraw/zinc/02/53/05/673025305.db2.gz DOHYNJGDBPIVGC-KBPBESRZSA-N 2 1 339.440 -1.077 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019800292 673025248 /nfs/dbraw/zinc/02/52/48/673025248.db2.gz DOHYNJGDBPIVGC-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019800292 673025240 /nfs/dbraw/zinc/02/52/40/673025240.db2.gz DOHYNJGDBPIVGC-UONOGXRCSA-N 2 1 339.440 -1.077 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020025947 673040942 /nfs/dbraw/zinc/04/09/42/673040942.db2.gz ATWZFCAFRDURLU-AVGNSLFASA-N 2 1 337.424 -1.724 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020025948 673041043 /nfs/dbraw/zinc/04/10/43/673041043.db2.gz ATWZFCAFRDURLU-JHJVBQTASA-N 2 1 337.424 -1.724 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001020029008 668861307 /nfs/dbraw/zinc/86/13/07/668861307.db2.gz RFGTXRQCJVOLDH-OBJOEFQTSA-N 2 1 349.435 -1.085 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001020029009 668861402 /nfs/dbraw/zinc/86/14/02/668861402.db2.gz RFGTXRQCJVOLDH-YRGRVCCFSA-N 2 1 349.435 -1.085 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020045453 673041834 /nfs/dbraw/zinc/04/18/34/673041834.db2.gz BSHIIRDATCPLPE-AVGNSLFASA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020045453 673041829 /nfs/dbraw/zinc/04/18/29/673041829.db2.gz BSHIIRDATCPLPE-AVGNSLFASA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020045454 673041855 /nfs/dbraw/zinc/04/18/55/673041855.db2.gz BSHIIRDATCPLPE-JHJVBQTASA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020045454 673041850 /nfs/dbraw/zinc/04/18/50/673041850.db2.gz BSHIIRDATCPLPE-JHJVBQTASA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045570 673042012 /nfs/dbraw/zinc/04/20/12/673042012.db2.gz FKBWQONNTKAHIT-AAVRWANBSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045570 673042011 /nfs/dbraw/zinc/04/20/11/673042011.db2.gz FKBWQONNTKAHIT-AAVRWANBSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045571 673041965 /nfs/dbraw/zinc/04/19/65/673041965.db2.gz FKBWQONNTKAHIT-SYQHCUMBSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045571 673041962 /nfs/dbraw/zinc/04/19/62/673041962.db2.gz FKBWQONNTKAHIT-SYQHCUMBSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045572 673041892 /nfs/dbraw/zinc/04/18/92/673041892.db2.gz FKBWQONNTKAHIT-XDQVBPFNSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045572 673041887 /nfs/dbraw/zinc/04/18/87/673041887.db2.gz FKBWQONNTKAHIT-XDQVBPFNSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045573 673042049 /nfs/dbraw/zinc/04/20/49/673042049.db2.gz FKBWQONNTKAHIT-XUXIUFHCSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020045573 673042045 /nfs/dbraw/zinc/04/20/45/673042045.db2.gz FKBWQONNTKAHIT-XUXIUFHCSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020046091 673042022 /nfs/dbraw/zinc/04/20/22/673042022.db2.gz TYGNBPBHKPKJFB-IHRRRGAJSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020046091 673042020 /nfs/dbraw/zinc/04/20/20/673042020.db2.gz TYGNBPBHKPKJFB-IHRRRGAJSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020046092 673042179 /nfs/dbraw/zinc/04/21/79/673042179.db2.gz TYGNBPBHKPKJFB-MGPQQGTHSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020046092 673042175 /nfs/dbraw/zinc/04/21/75/673042175.db2.gz TYGNBPBHKPKJFB-MGPQQGTHSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020046189 673042290 /nfs/dbraw/zinc/04/22/90/673042290.db2.gz XDYFGIGSXGLXPA-IJLUTSLNSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020046189 673042283 /nfs/dbraw/zinc/04/22/83/673042283.db2.gz XDYFGIGSXGLXPA-IJLUTSLNSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020046190 673042120 /nfs/dbraw/zinc/04/21/20/673042120.db2.gz XDYFGIGSXGLXPA-SRVKXCTJSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020046190 673042117 /nfs/dbraw/zinc/04/21/17/673042117.db2.gz XDYFGIGSXGLXPA-SRVKXCTJSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020047468 673042130 /nfs/dbraw/zinc/04/21/30/673042130.db2.gz OEGXBLZHIRXIIV-AVGNSLFASA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020047468 673042127 /nfs/dbraw/zinc/04/21/27/673042127.db2.gz OEGXBLZHIRXIIV-AVGNSLFASA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020047469 673041982 /nfs/dbraw/zinc/04/19/82/673041982.db2.gz OEGXBLZHIRXIIV-JHJVBQTASA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020047469 673041981 /nfs/dbraw/zinc/04/19/81/673041981.db2.gz OEGXBLZHIRXIIV-JHJVBQTASA-N 2 1 338.408 -1.297 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178661 673047203 /nfs/dbraw/zinc/04/72/03/673047203.db2.gz AUKYXJIPIUNXEZ-CYDGBPFRSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178661 673047200 /nfs/dbraw/zinc/04/72/00/673047200.db2.gz AUKYXJIPIUNXEZ-CYDGBPFRSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178662 673047050 /nfs/dbraw/zinc/04/70/50/673047050.db2.gz AUKYXJIPIUNXEZ-FDYHWXHSSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178662 673047046 /nfs/dbraw/zinc/04/70/46/673047046.db2.gz AUKYXJIPIUNXEZ-FDYHWXHSSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001020178663 673047147 /nfs/dbraw/zinc/04/71/47/673047147.db2.gz AUKYXJIPIUNXEZ-LPWJVIDDSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178663 673047143 /nfs/dbraw/zinc/04/71/43/673047143.db2.gz AUKYXJIPIUNXEZ-LPWJVIDDSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001020178664 673046876 /nfs/dbraw/zinc/04/68/76/673046876.db2.gz AUKYXJIPIUNXEZ-ZDEQEGDKSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178664 673046870 /nfs/dbraw/zinc/04/68/70/673046870.db2.gz AUKYXJIPIUNXEZ-ZDEQEGDKSA-N 2 1 335.412 -1.190 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001020286639 673052595 /nfs/dbraw/zinc/05/25/95/673052595.db2.gz HEFDZHBDRICTJG-AAVRWANBSA-N 2 1 339.440 -1.033 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001020286639 673052591 /nfs/dbraw/zinc/05/25/91/673052591.db2.gz HEFDZHBDRICTJG-AAVRWANBSA-N 2 1 339.440 -1.033 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001020286702 673052734 /nfs/dbraw/zinc/05/27/34/673052734.db2.gz JWAMJKYBFAPBJR-NJMOYASZSA-N 2 1 338.408 -1.253 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001020286702 673052731 /nfs/dbraw/zinc/05/27/31/673052731.db2.gz JWAMJKYBFAPBJR-NJMOYASZSA-N 2 1 338.408 -1.253 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001020286703 673052971 /nfs/dbraw/zinc/05/29/71/673052971.db2.gz JWAMJKYBFAPBJR-SYLRKERUSA-N 2 1 338.408 -1.253 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001020286703 673052969 /nfs/dbraw/zinc/05/29/69/673052969.db2.gz JWAMJKYBFAPBJR-SYLRKERUSA-N 2 1 338.408 -1.253 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001020396909 668070065 /nfs/dbraw/zinc/07/00/65/668070065.db2.gz IKFKAAWCIACYRS-JOCQHMNTSA-N 2 1 348.407 -1.613 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020398112 668070922 /nfs/dbraw/zinc/07/09/22/668070922.db2.gz RMXVTXZLRFYSEX-HAQNSBGRSA-N 2 1 334.380 -1.020 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406265 668076638 /nfs/dbraw/zinc/07/66/38/668076638.db2.gz OTEZWZCANFWFDM-BTWPUCDJSA-N 2 1 347.423 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406265 668076632 /nfs/dbraw/zinc/07/66/32/668076632.db2.gz OTEZWZCANFWFDM-BTWPUCDJSA-N 2 1 347.423 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001020406266 668076875 /nfs/dbraw/zinc/07/68/75/668076875.db2.gz OTEZWZCANFWFDM-VECWZWDRSA-N 2 1 347.423 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406266 668076869 /nfs/dbraw/zinc/07/68/69/668076869.db2.gz OTEZWZCANFWFDM-VECWZWDRSA-N 2 1 347.423 -1.190 20 0 EAADMP O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001020406437 668076686 /nfs/dbraw/zinc/07/66/86/668076686.db2.gz VBVCHXITJBYKAA-OCEHDEDJSA-N 2 1 334.420 -1.025 20 0 EAADMP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001020406438 668076757 /nfs/dbraw/zinc/07/67/57/668076757.db2.gz VBVCHXITJBYKAA-RJMWBIHPSA-N 2 1 334.420 -1.025 20 0 EAADMP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001020406439 668076423 /nfs/dbraw/zinc/07/64/23/668076423.db2.gz VBVCHXITJBYKAA-SNMVJIHASA-N 2 1 334.420 -1.025 20 0 EAADMP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001020406440 668076837 /nfs/dbraw/zinc/07/68/37/668076837.db2.gz VBVCHXITJBYKAA-WGQZWWLSSA-N 2 1 334.420 -1.025 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590143 668158211 /nfs/dbraw/zinc/15/82/11/668158211.db2.gz NHTRFZSHFNSGOG-CYDGBPFRSA-N 2 1 337.424 -1.027 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590144 668158266 /nfs/dbraw/zinc/15/82/66/668158266.db2.gz NHTRFZSHFNSGOG-FDYHWXHSSA-N 2 1 337.424 -1.027 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590145 668158194 /nfs/dbraw/zinc/15/81/94/668158194.db2.gz NHTRFZSHFNSGOG-LPWJVIDDSA-N 2 1 337.424 -1.027 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020590146 668158242 /nfs/dbraw/zinc/15/82/42/668158242.db2.gz NHTRFZSHFNSGOG-ZDEQEGDKSA-N 2 1 337.424 -1.027 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001021044739 668214759 /nfs/dbraw/zinc/21/47/59/668214759.db2.gz SLMZCSGCGHWYEX-AVGNSLFASA-N 2 1 349.435 -1.228 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001021044740 668214775 /nfs/dbraw/zinc/21/47/75/668214775.db2.gz SLMZCSGCGHWYEX-JHJVBQTASA-N 2 1 349.435 -1.228 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001021047442 668216682 /nfs/dbraw/zinc/21/66/82/668216682.db2.gz CYXJMEODNWTUTL-AVGNSLFASA-N 2 1 337.424 -1.867 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCNC(=O)C3)C2)C1 ZINC001021047443 668216450 /nfs/dbraw/zinc/21/64/50/668216450.db2.gz CYXJMEODNWTUTL-JHJVBQTASA-N 2 1 337.424 -1.867 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001021053531 668217037 /nfs/dbraw/zinc/21/70/37/668217037.db2.gz RRGZKZBGBWFEPY-HAQNSBGRSA-N 2 1 334.380 -1.020 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021053679 668217082 /nfs/dbraw/zinc/21/70/82/668217082.db2.gz VELUMUZYFQUNBR-JOCQHMNTSA-N 2 1 348.407 -1.613 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079683 668228481 /nfs/dbraw/zinc/22/84/81/668228481.db2.gz CNCANJYXKCANNY-CYDGBPFRSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079683 668228479 /nfs/dbraw/zinc/22/84/79/668228479.db2.gz CNCANJYXKCANNY-CYDGBPFRSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079684 668228257 /nfs/dbraw/zinc/22/82/57/668228257.db2.gz CNCANJYXKCANNY-FDYHWXHSSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079684 668228255 /nfs/dbraw/zinc/22/82/55/668228255.db2.gz CNCANJYXKCANNY-FDYHWXHSSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079685 668228212 /nfs/dbraw/zinc/22/82/12/668228212.db2.gz CNCANJYXKCANNY-LPWJVIDDSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079685 668228208 /nfs/dbraw/zinc/22/82/08/668228208.db2.gz CNCANJYXKCANNY-LPWJVIDDSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079686 668228270 /nfs/dbraw/zinc/22/82/70/668228270.db2.gz CNCANJYXKCANNY-ZDEQEGDKSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001021079686 668228268 /nfs/dbraw/zinc/22/82/68/668228268.db2.gz CNCANJYXKCANNY-ZDEQEGDKSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021080889 668228439 /nfs/dbraw/zinc/22/84/39/668228439.db2.gz RUTWXAWWYIZUAI-IHRRRGAJSA-N 2 1 339.440 -1.031 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021080889 668228437 /nfs/dbraw/zinc/22/84/37/668228437.db2.gz RUTWXAWWYIZUAI-IHRRRGAJSA-N 2 1 339.440 -1.031 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021080890 668228460 /nfs/dbraw/zinc/22/84/60/668228460.db2.gz RUTWXAWWYIZUAI-MGPQQGTHSA-N 2 1 339.440 -1.031 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021080890 668228456 /nfs/dbraw/zinc/22/84/56/668228456.db2.gz RUTWXAWWYIZUAI-MGPQQGTHSA-N 2 1 339.440 -1.031 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021896966 668333566 /nfs/dbraw/zinc/33/35/66/668333566.db2.gz ATWZFCAFRDURLU-FRRDWIJNSA-N 2 1 337.424 -1.724 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001021896967 668333339 /nfs/dbraw/zinc/33/33/39/668333339.db2.gz ATWZFCAFRDURLU-XQQFMLRXSA-N 2 1 337.424 -1.724 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001021906551 668333419 /nfs/dbraw/zinc/33/34/19/668333419.db2.gz RFGTXRQCJVOLDH-MBNYWOFBSA-N 2 1 349.435 -1.085 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc(=O)n(C)c1=O ZINC001021906552 668333237 /nfs/dbraw/zinc/33/32/37/668333237.db2.gz RFGTXRQCJVOLDH-SCRDCRAPSA-N 2 1 349.435 -1.085 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021927131 668334558 /nfs/dbraw/zinc/33/45/58/668334558.db2.gz BSHIIRDATCPLPE-FRRDWIJNSA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021927131 668334553 /nfs/dbraw/zinc/33/45/53/668334553.db2.gz BSHIIRDATCPLPE-FRRDWIJNSA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021927136 668334506 /nfs/dbraw/zinc/33/45/06/668334506.db2.gz BSHIIRDATCPLPE-XQQFMLRXSA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001021927136 668334503 /nfs/dbraw/zinc/33/45/03/668334503.db2.gz BSHIIRDATCPLPE-XQQFMLRXSA-N 2 1 325.413 -1.421 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927415 668334882 /nfs/dbraw/zinc/33/48/82/668334882.db2.gz FKBWQONNTKAHIT-FQUUOJAGSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927415 668334879 /nfs/dbraw/zinc/33/48/79/668334879.db2.gz FKBWQONNTKAHIT-FQUUOJAGSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927416 668334911 /nfs/dbraw/zinc/33/49/11/668334911.db2.gz FKBWQONNTKAHIT-IGQOVBAYSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927416 668334908 /nfs/dbraw/zinc/33/49/08/668334908.db2.gz FKBWQONNTKAHIT-IGQOVBAYSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927417 668334584 /nfs/dbraw/zinc/33/45/84/668334584.db2.gz FKBWQONNTKAHIT-MQYQWHSLSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927417 668334580 /nfs/dbraw/zinc/33/45/80/668334580.db2.gz FKBWQONNTKAHIT-MQYQWHSLSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927418 668334801 /nfs/dbraw/zinc/33/48/01/668334801.db2.gz FKBWQONNTKAHIT-YIYPIFLZSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021927418 668334798 /nfs/dbraw/zinc/33/47/98/668334798.db2.gz FKBWQONNTKAHIT-YIYPIFLZSA-N 2 1 345.465 -1.012 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001021928778 668334930 /nfs/dbraw/zinc/33/49/30/668334930.db2.gz TYGNBPBHKPKJFB-HZSPNIEDSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001021928778 668334929 /nfs/dbraw/zinc/33/49/29/668334929.db2.gz TYGNBPBHKPKJFB-HZSPNIEDSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001021928792 668334719 /nfs/dbraw/zinc/33/47/19/668334719.db2.gz TYGNBPBHKPKJFB-MJBXVCDLSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001021928792 668334716 /nfs/dbraw/zinc/33/47/16/668334716.db2.gz TYGNBPBHKPKJFB-MJBXVCDLSA-N 2 1 340.424 -1.587 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001021928998 668334733 /nfs/dbraw/zinc/33/47/33/668334733.db2.gz XDYFGIGSXGLXPA-GRYCIOLGSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001021928998 668334730 /nfs/dbraw/zinc/33/47/30/668334730.db2.gz XDYFGIGSXGLXPA-GRYCIOLGSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001021928999 668334755 /nfs/dbraw/zinc/33/47/55/668334755.db2.gz XDYFGIGSXGLXPA-TUAOUCFPSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001021928999 668334752 /nfs/dbraw/zinc/33/47/52/668334752.db2.gz XDYFGIGSXGLXPA-TUAOUCFPSA-N 2 1 339.396 -1.894 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001021929574 668334540 /nfs/dbraw/zinc/33/45/40/668334540.db2.gz OEGXBLZHIRXIIV-FRRDWIJNSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001021929574 668334538 /nfs/dbraw/zinc/33/45/38/668334538.db2.gz OEGXBLZHIRXIIV-FRRDWIJNSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001021929575 668334572 /nfs/dbraw/zinc/33/45/72/668334572.db2.gz OEGXBLZHIRXIIV-XQQFMLRXSA-N 2 1 338.408 -1.297 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001021929575 668334568 /nfs/dbraw/zinc/33/45/68/668334568.db2.gz OEGXBLZHIRXIIV-XQQFMLRXSA-N 2 1 338.408 -1.297 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121235 668346667 /nfs/dbraw/zinc/34/66/67/668346667.db2.gz AUKYXJIPIUNXEZ-QNWHQSFQSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121235 668346662 /nfs/dbraw/zinc/34/66/62/668346662.db2.gz AUKYXJIPIUNXEZ-QNWHQSFQSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001022121236 668346752 /nfs/dbraw/zinc/34/67/52/668346752.db2.gz AUKYXJIPIUNXEZ-RNJOBUHISA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121236 668346747 /nfs/dbraw/zinc/34/67/47/668346747.db2.gz AUKYXJIPIUNXEZ-RNJOBUHISA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121237 668346599 /nfs/dbraw/zinc/34/65/99/668346599.db2.gz AUKYXJIPIUNXEZ-XQHKEYJVSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121237 668346595 /nfs/dbraw/zinc/34/65/95/668346595.db2.gz AUKYXJIPIUNXEZ-XQHKEYJVSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001022121238 668346862 /nfs/dbraw/zinc/34/68/62/668346862.db2.gz AUKYXJIPIUNXEZ-YVECIDJPSA-N 2 1 335.412 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121238 668346857 /nfs/dbraw/zinc/34/68/57/668346857.db2.gz AUKYXJIPIUNXEZ-YVECIDJPSA-N 2 1 335.412 -1.190 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001022275056 668354850 /nfs/dbraw/zinc/35/48/50/668354850.db2.gz HEFDZHBDRICTJG-YIYPIFLZSA-N 2 1 339.440 -1.033 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)O1 ZINC001022275056 668354848 /nfs/dbraw/zinc/35/48/48/668354848.db2.gz HEFDZHBDRICTJG-YIYPIFLZSA-N 2 1 339.440 -1.033 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001022275308 668354462 /nfs/dbraw/zinc/35/44/62/668354462.db2.gz JWAMJKYBFAPBJR-NAWOPXAZSA-N 2 1 338.408 -1.253 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)O1 ZINC001022275308 668354460 /nfs/dbraw/zinc/35/44/60/668354460.db2.gz JWAMJKYBFAPBJR-NAWOPXAZSA-N 2 1 338.408 -1.253 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001022275313 668354792 /nfs/dbraw/zinc/35/47/92/668354792.db2.gz JWAMJKYBFAPBJR-UJPOAAIJSA-N 2 1 338.408 -1.253 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)O1 ZINC001022275313 668354787 /nfs/dbraw/zinc/35/47/87/668354787.db2.gz JWAMJKYBFAPBJR-UJPOAAIJSA-N 2 1 338.408 -1.253 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022436833 668364082 /nfs/dbraw/zinc/36/40/82/668364082.db2.gz RMXVTXZLRFYSEX-TXEJJXNPSA-N 2 1 334.380 -1.020 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001022437356 668363993 /nfs/dbraw/zinc/36/39/93/668363993.db2.gz IKFKAAWCIACYRS-BETUJISGSA-N 2 1 348.407 -1.613 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022452601 668364955 /nfs/dbraw/zinc/36/49/55/668364955.db2.gz OTEZWZCANFWFDM-AQCKVWFBSA-N 2 1 347.423 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452601 668364952 /nfs/dbraw/zinc/36/49/52/668364952.db2.gz OTEZWZCANFWFDM-AQCKVWFBSA-N 2 1 347.423 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001022452602 668364707 /nfs/dbraw/zinc/36/47/07/668364707.db2.gz OTEZWZCANFWFDM-RFVMBOSQSA-N 2 1 347.423 -1.190 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452602 668364702 /nfs/dbraw/zinc/36/47/02/668364702.db2.gz OTEZWZCANFWFDM-RFVMBOSQSA-N 2 1 347.423 -1.190 20 0 EAADMP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001022452971 668365473 /nfs/dbraw/zinc/36/54/73/668365473.db2.gz VBVCHXITJBYKAA-HELXVEOTSA-N 2 1 334.420 -1.025 20 0 EAADMP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001022452972 668365241 /nfs/dbraw/zinc/36/52/41/668365241.db2.gz VBVCHXITJBYKAA-HQMZDILOSA-N 2 1 334.420 -1.025 20 0 EAADMP O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001022452973 668365344 /nfs/dbraw/zinc/36/53/44/668365344.db2.gz VBVCHXITJBYKAA-MMAYTEPVSA-N 2 1 334.420 -1.025 20 0 EAADMP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001022452974 668365428 /nfs/dbraw/zinc/36/54/28/668365428.db2.gz VBVCHXITJBYKAA-WAVPBHNRSA-N 2 1 334.420 -1.025 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717034 668386579 /nfs/dbraw/zinc/38/65/79/668386579.db2.gz NHTRFZSHFNSGOG-FVCCEPFGSA-N 2 1 337.424 -1.027 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717035 668386720 /nfs/dbraw/zinc/38/67/20/668386720.db2.gz NHTRFZSHFNSGOG-NDBYEHHHSA-N 2 1 337.424 -1.027 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717036 668386608 /nfs/dbraw/zinc/38/66/08/668386608.db2.gz NHTRFZSHFNSGOG-RVMXOQNASA-N 2 1 337.424 -1.027 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022717037 668386714 /nfs/dbraw/zinc/38/67/14/668386714.db2.gz NHTRFZSHFNSGOG-WUHRBBMRSA-N 2 1 337.424 -1.027 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001023086649 668442361 /nfs/dbraw/zinc/44/23/61/668442361.db2.gz SLMZCSGCGHWYEX-RWMBFGLXSA-N 2 1 349.435 -1.228 20 0 EAADMP Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001023086650 668442193 /nfs/dbraw/zinc/44/21/93/668442193.db2.gz SLMZCSGCGHWYEX-UPJWGTAASA-N 2 1 349.435 -1.228 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001023091326 668442707 /nfs/dbraw/zinc/44/27/07/668442707.db2.gz VELUMUZYFQUNBR-BETUJISGSA-N 2 1 348.407 -1.613 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001023093883 668444223 /nfs/dbraw/zinc/44/42/23/668444223.db2.gz RRGZKZBGBWFEPY-TXEJJXNPSA-N 2 1 334.380 -1.020 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115197 668451180 /nfs/dbraw/zinc/45/11/80/668451180.db2.gz CNCANJYXKCANNY-QNWHQSFQSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115197 668451177 /nfs/dbraw/zinc/45/11/77/668451177.db2.gz CNCANJYXKCANNY-QNWHQSFQSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115198 668451231 /nfs/dbraw/zinc/45/12/31/668451231.db2.gz CNCANJYXKCANNY-RNJOBUHISA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115198 668451227 /nfs/dbraw/zinc/45/12/27/668451227.db2.gz CNCANJYXKCANNY-RNJOBUHISA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115199 668451323 /nfs/dbraw/zinc/45/13/23/668451323.db2.gz CNCANJYXKCANNY-XQHKEYJVSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115199 668451321 /nfs/dbraw/zinc/45/13/21/668451321.db2.gz CNCANJYXKCANNY-XQHKEYJVSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115200 668450998 /nfs/dbraw/zinc/45/09/98/668450998.db2.gz CNCANJYXKCANNY-YVECIDJPSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001023115200 668450997 /nfs/dbraw/zinc/45/09/97/668450997.db2.gz CNCANJYXKCANNY-YVECIDJPSA-N 2 1 338.408 -1.251 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001023115674 668450563 /nfs/dbraw/zinc/45/05/63/668450563.db2.gz RUTWXAWWYIZUAI-HZSPNIEDSA-N 2 1 339.440 -1.031 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001023115674 668450561 /nfs/dbraw/zinc/45/05/61/668450561.db2.gz RUTWXAWWYIZUAI-HZSPNIEDSA-N 2 1 339.440 -1.031 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001023115675 668450453 /nfs/dbraw/zinc/45/04/53/668450453.db2.gz RUTWXAWWYIZUAI-MJBXVCDLSA-N 2 1 339.440 -1.031 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001023115675 668450450 /nfs/dbraw/zinc/45/04/50/668450450.db2.gz RUTWXAWWYIZUAI-MJBXVCDLSA-N 2 1 339.440 -1.031 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023212919 668472315 /nfs/dbraw/zinc/47/23/15/668472315.db2.gz UOKKTZLZQBHSJY-HZSPNIEDSA-N 2 1 336.436 -1.136 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023212920 668472656 /nfs/dbraw/zinc/47/26/56/668472656.db2.gz UOKKTZLZQBHSJY-MGPQQGTHSA-N 2 1 336.436 -1.136 20 0 EAADMP Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001023216676 668473589 /nfs/dbraw/zinc/47/35/89/668473589.db2.gz KUPYPPCNPSZFEW-HZSPNIEDSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1nccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001023216677 668473523 /nfs/dbraw/zinc/47/35/23/668473523.db2.gz KUPYPPCNPSZFEW-MGPQQGTHSA-N 2 1 335.408 -1.026 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001023783399 668572209 /nfs/dbraw/zinc/57/22/09/668572209.db2.gz HUSGIHMLANTYMV-BFHYXJOUSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2O)C1 ZINC001023783400 668572251 /nfs/dbraw/zinc/57/22/51/668572251.db2.gz HUSGIHMLANTYMV-MGPQQGTHSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023783764 668572396 /nfs/dbraw/zinc/57/23/96/668572396.db2.gz NGWCSANIEUJUQM-RBSFLKMASA-N 2 1 338.452 -1.032 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2O)C1 ZINC001023783780 668572345 /nfs/dbraw/zinc/57/23/45/668572345.db2.gz NGWCSANIEUJUQM-RRFJBIMHSA-N 2 1 338.452 -1.032 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023787136 668573949 /nfs/dbraw/zinc/57/39/49/668573949.db2.gz HMLJJIKSKVWLLJ-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023787136 668573946 /nfs/dbraw/zinc/57/39/46/668573946.db2.gz HMLJJIKSKVWLLJ-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023787137 668573994 /nfs/dbraw/zinc/57/39/94/668573994.db2.gz HMLJJIKSKVWLLJ-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023787137 668573990 /nfs/dbraw/zinc/57/39/90/668573990.db2.gz HMLJJIKSKVWLLJ-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023788682 668573792 /nfs/dbraw/zinc/57/37/92/668573792.db2.gz XUSYEHXLAHRCIT-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023788682 668573789 /nfs/dbraw/zinc/57/37/89/668573789.db2.gz XUSYEHXLAHRCIT-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023788684 668573841 /nfs/dbraw/zinc/57/38/41/668573841.db2.gz XUSYEHXLAHRCIT-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023788684 668573837 /nfs/dbraw/zinc/57/38/37/668573837.db2.gz XUSYEHXLAHRCIT-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001023799517 668576677 /nfs/dbraw/zinc/57/66/77/668576677.db2.gz FDXKMZSUFHUSOK-HZSPNIEDSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023799517 668576675 /nfs/dbraw/zinc/57/66/75/668576675.db2.gz FDXKMZSUFHUSOK-HZSPNIEDSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001023799519 668576721 /nfs/dbraw/zinc/57/67/21/668576721.db2.gz FDXKMZSUFHUSOK-MGPQQGTHSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001023799519 668576718 /nfs/dbraw/zinc/57/67/18/668576718.db2.gz FDXKMZSUFHUSOK-MGPQQGTHSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001023801057 668576800 /nfs/dbraw/zinc/57/68/00/668576800.db2.gz KCQQFFPUVVKKTB-ZIAGYGMSSA-N 2 1 347.419 -1.025 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001023803343 668577505 /nfs/dbraw/zinc/57/75/05/668577505.db2.gz LXMIAJJCVAARQB-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023803343 668577503 /nfs/dbraw/zinc/57/75/03/668577503.db2.gz LXMIAJJCVAARQB-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001023803343 668577500 /nfs/dbraw/zinc/57/75/00/668577500.db2.gz LXMIAJJCVAARQB-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001023803344 668577517 /nfs/dbraw/zinc/57/75/17/668577517.db2.gz LXMIAJJCVAARQB-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001023803344 668577513 /nfs/dbraw/zinc/57/75/13/668577513.db2.gz LXMIAJJCVAARQB-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1nccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001023803344 668577511 /nfs/dbraw/zinc/57/75/11/668577511.db2.gz LXMIAJJCVAARQB-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001023803358 668577575 /nfs/dbraw/zinc/57/75/75/668577575.db2.gz MRKILAUWYMHXME-ZIAGYGMSSA-N 2 1 335.408 -1.025 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416861 668644643 /nfs/dbraw/zinc/64/46/43/668644643.db2.gz IMAZWOCSCMRFID-RBSFLKMASA-N 2 1 338.452 -1.032 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001024416864 668644555 /nfs/dbraw/zinc/64/45/55/668644555.db2.gz IMAZWOCSCMRFID-RRFJBIMHSA-N 2 1 338.452 -1.032 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001024700100 668687163 /nfs/dbraw/zinc/68/71/63/668687163.db2.gz XWABYFIRHXLLIP-ZIAGYGMSSA-N 2 1 347.419 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024700129 668687231 /nfs/dbraw/zinc/68/72/31/668687231.db2.gz ZALZANYJSMZMIU-HZSPNIEDSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024700129 668687229 /nfs/dbraw/zinc/68/72/29/668687229.db2.gz ZALZANYJSMZMIU-HZSPNIEDSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC001024700130 668686907 /nfs/dbraw/zinc/68/69/07/668686907.db2.gz ZALZANYJSMZMIU-MGPQQGTHSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC001024700130 668686905 /nfs/dbraw/zinc/68/69/05/668686905.db2.gz ZALZANYJSMZMIU-MGPQQGTHSA-N 2 1 335.408 -1.026 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024703360 668686709 /nfs/dbraw/zinc/68/67/09/668686709.db2.gz BMHCWWOVLTURBV-ZIAGYGMSSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024703474 668686354 /nfs/dbraw/zinc/68/63/54/668686354.db2.gz HTDQDHKFWSJNGH-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024703474 668686352 /nfs/dbraw/zinc/68/63/52/668686352.db2.gz HTDQDHKFWSJNGH-BFHYXJOUSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024703475 668686337 /nfs/dbraw/zinc/68/63/37/668686337.db2.gz HTDQDHKFWSJNGH-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1O ZINC001024703475 668686334 /nfs/dbraw/zinc/68/63/34/668686334.db2.gz HTDQDHKFWSJNGH-MGPQQGTHSA-N 2 1 335.408 -1.169 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787271 668697759 /nfs/dbraw/zinc/69/77/59/668697759.db2.gz HJBQADCSGAUONL-MGPQQGTHSA-N 2 1 336.436 -1.136 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024789483 668699506 /nfs/dbraw/zinc/69/95/06/668699506.db2.gz HJBQADCSGAUONL-HZSPNIEDSA-N 2 1 336.436 -1.136 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024790828 668699366 /nfs/dbraw/zinc/69/93/66/668699366.db2.gz CRHWFAFSTCUEAG-ZIAGYGMSSA-N 2 1 347.419 -1.025 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024790967 668699850 /nfs/dbraw/zinc/69/98/50/668699850.db2.gz HBLQXRALRCLEGG-BFHYXJOUSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001024790969 668699725 /nfs/dbraw/zinc/69/97/25/668699725.db2.gz HBLQXRALRCLEGG-MGPQQGTHSA-N 2 1 336.436 -1.278 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024791437 668698158 /nfs/dbraw/zinc/69/81/58/668698158.db2.gz PSIYADMKPMACFZ-ZIAGYGMSSA-N 2 1 347.419 -1.025 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719273 668845025 /nfs/dbraw/zinc/84/50/25/668845025.db2.gz CEIHKMSNGBDPAO-MOWSAHLDSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719273 668845023 /nfs/dbraw/zinc/84/50/23/668845023.db2.gz CEIHKMSNGBDPAO-MOWSAHLDSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719273 668845021 /nfs/dbraw/zinc/84/50/21/668845021.db2.gz CEIHKMSNGBDPAO-MOWSAHLDSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719273 668845020 /nfs/dbraw/zinc/84/50/20/668845020.db2.gz CEIHKMSNGBDPAO-MOWSAHLDSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719274 668845200 /nfs/dbraw/zinc/84/52/00/668845200.db2.gz CEIHKMSNGBDPAO-OJROKELRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719274 668845198 /nfs/dbraw/zinc/84/51/98/668845198.db2.gz CEIHKMSNGBDPAO-OJROKELRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719274 668845195 /nfs/dbraw/zinc/84/51/95/668845195.db2.gz CEIHKMSNGBDPAO-OJROKELRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719274 668845193 /nfs/dbraw/zinc/84/51/93/668845193.db2.gz CEIHKMSNGBDPAO-OJROKELRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719275 668844997 /nfs/dbraw/zinc/84/49/97/668844997.db2.gz CEIHKMSNGBDPAO-SVPLCASGSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719275 668844995 /nfs/dbraw/zinc/84/49/95/668844995.db2.gz CEIHKMSNGBDPAO-SVPLCASGSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719275 668844994 /nfs/dbraw/zinc/84/49/94/668844994.db2.gz CEIHKMSNGBDPAO-SVPLCASGSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719275 668844992 /nfs/dbraw/zinc/84/49/92/668844992.db2.gz CEIHKMSNGBDPAO-SVPLCASGSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719276 668845046 /nfs/dbraw/zinc/84/50/46/668845046.db2.gz CEIHKMSNGBDPAO-XJBAAKRRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719276 668845044 /nfs/dbraw/zinc/84/50/44/668845044.db2.gz CEIHKMSNGBDPAO-XJBAAKRRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719276 668845042 /nfs/dbraw/zinc/84/50/42/668845042.db2.gz CEIHKMSNGBDPAO-XJBAAKRRSA-N 2 1 336.392 -1.831 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001025719276 668845040 /nfs/dbraw/zinc/84/50/40/668845040.db2.gz CEIHKMSNGBDPAO-XJBAAKRRSA-N 2 1 336.392 -1.831 20 0 EAADMP CN1CCC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719318 668845142 /nfs/dbraw/zinc/84/51/42/668845142.db2.gz HLCDRHBNMUZOCZ-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719318 668845141 /nfs/dbraw/zinc/84/51/41/668845141.db2.gz HLCDRHBNMUZOCZ-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719318 668845138 /nfs/dbraw/zinc/84/51/38/668845138.db2.gz HLCDRHBNMUZOCZ-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719318 668845137 /nfs/dbraw/zinc/84/51/37/668845137.db2.gz HLCDRHBNMUZOCZ-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719319 668844983 /nfs/dbraw/zinc/84/49/83/668844983.db2.gz HLCDRHBNMUZOCZ-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719319 668844982 /nfs/dbraw/zinc/84/49/82/668844982.db2.gz HLCDRHBNMUZOCZ-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719319 668844981 /nfs/dbraw/zinc/84/49/81/668844981.db2.gz HLCDRHBNMUZOCZ-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719319 668844979 /nfs/dbraw/zinc/84/49/79/668844979.db2.gz HLCDRHBNMUZOCZ-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719320 668845080 /nfs/dbraw/zinc/84/50/80/668845080.db2.gz HLCDRHBNMUZOCZ-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719320 668845078 /nfs/dbraw/zinc/84/50/78/668845078.db2.gz HLCDRHBNMUZOCZ-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719320 668845077 /nfs/dbraw/zinc/84/50/77/668845077.db2.gz HLCDRHBNMUZOCZ-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719320 668845075 /nfs/dbraw/zinc/84/50/75/668845075.db2.gz HLCDRHBNMUZOCZ-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719321 668844974 /nfs/dbraw/zinc/84/49/74/668844974.db2.gz HLCDRHBNMUZOCZ-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719321 668844972 /nfs/dbraw/zinc/84/49/72/668844972.db2.gz HLCDRHBNMUZOCZ-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719321 668844970 /nfs/dbraw/zinc/84/49/70/668844970.db2.gz HLCDRHBNMUZOCZ-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719321 668844969 /nfs/dbraw/zinc/84/49/69/668844969.db2.gz HLCDRHBNMUZOCZ-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719352 668845438 /nfs/dbraw/zinc/84/54/38/668845438.db2.gz LDEKGJLEIQWGCU-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719352 668845435 /nfs/dbraw/zinc/84/54/35/668845435.db2.gz LDEKGJLEIQWGCU-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719352 668845431 /nfs/dbraw/zinc/84/54/31/668845431.db2.gz LDEKGJLEIQWGCU-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719352 668845426 /nfs/dbraw/zinc/84/54/26/668845426.db2.gz LDEKGJLEIQWGCU-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719353 668845580 /nfs/dbraw/zinc/84/55/80/668845580.db2.gz LDEKGJLEIQWGCU-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719353 668845579 /nfs/dbraw/zinc/84/55/79/668845579.db2.gz LDEKGJLEIQWGCU-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719353 668845577 /nfs/dbraw/zinc/84/55/77/668845577.db2.gz LDEKGJLEIQWGCU-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719353 668845576 /nfs/dbraw/zinc/84/55/76/668845576.db2.gz LDEKGJLEIQWGCU-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719354 668845595 /nfs/dbraw/zinc/84/55/95/668845595.db2.gz LDEKGJLEIQWGCU-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001025719354 668845594 /nfs/dbraw/zinc/84/55/94/668845594.db2.gz LDEKGJLEIQWGCU-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719354 668845592 /nfs/dbraw/zinc/84/55/92/668845592.db2.gz LDEKGJLEIQWGCU-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001025719354 668845590 /nfs/dbraw/zinc/84/55/90/668845590.db2.gz LDEKGJLEIQWGCU-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001025719355 668845556 /nfs/dbraw/zinc/84/55/56/668845556.db2.gz LDEKGJLEIQWGCU-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001025719355 668845554 /nfs/dbraw/zinc/84/55/54/668845554.db2.gz LDEKGJLEIQWGCU-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719355 668845552 /nfs/dbraw/zinc/84/55/52/668845552.db2.gz LDEKGJLEIQWGCU-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)CCO2)C1=O ZINC001025719355 668845550 /nfs/dbraw/zinc/84/55/50/668845550.db2.gz LDEKGJLEIQWGCU-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719891 668845501 /nfs/dbraw/zinc/84/55/01/668845501.db2.gz WXISTPPZWOPIHS-AALSBFMBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719891 668845500 /nfs/dbraw/zinc/84/55/00/668845500.db2.gz WXISTPPZWOPIHS-AALSBFMBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719891 668845499 /nfs/dbraw/zinc/84/54/99/668845499.db2.gz WXISTPPZWOPIHS-AALSBFMBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719891 668845497 /nfs/dbraw/zinc/84/54/97/668845497.db2.gz WXISTPPZWOPIHS-AALSBFMBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719892 668845413 /nfs/dbraw/zinc/84/54/13/668845413.db2.gz WXISTPPZWOPIHS-ARKGTOAJSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719892 668845410 /nfs/dbraw/zinc/84/54/10/668845410.db2.gz WXISTPPZWOPIHS-ARKGTOAJSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719892 668845406 /nfs/dbraw/zinc/84/54/06/668845406.db2.gz WXISTPPZWOPIHS-ARKGTOAJSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719892 668845404 /nfs/dbraw/zinc/84/54/04/668845404.db2.gz WXISTPPZWOPIHS-ARKGTOAJSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719893 668845459 /nfs/dbraw/zinc/84/54/59/668845459.db2.gz WXISTPPZWOPIHS-LJIZCISZSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719893 668845457 /nfs/dbraw/zinc/84/54/57/668845457.db2.gz WXISTPPZWOPIHS-LJIZCISZSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719893 668845453 /nfs/dbraw/zinc/84/54/53/668845453.db2.gz WXISTPPZWOPIHS-LJIZCISZSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719893 668845450 /nfs/dbraw/zinc/84/54/50/668845450.db2.gz WXISTPPZWOPIHS-LJIZCISZSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719894 668845511 /nfs/dbraw/zinc/84/55/11/668845511.db2.gz WXISTPPZWOPIHS-OWYFMNJBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719894 668845510 /nfs/dbraw/zinc/84/55/10/668845510.db2.gz WXISTPPZWOPIHS-OWYFMNJBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719894 668845509 /nfs/dbraw/zinc/84/55/09/668845509.db2.gz WXISTPPZWOPIHS-OWYFMNJBSA-N 2 1 349.435 -1.379 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001025719894 668845508 /nfs/dbraw/zinc/84/55/08/668845508.db2.gz WXISTPPZWOPIHS-OWYFMNJBSA-N 2 1 349.435 -1.379 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025799135 668854900 /nfs/dbraw/zinc/85/49/00/668854900.db2.gz YXSSHLXJAVGFHE-JHZZJYKESA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799135 668854898 /nfs/dbraw/zinc/85/48/98/668854898.db2.gz YXSSHLXJAVGFHE-JHZZJYKESA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799135 668854896 /nfs/dbraw/zinc/85/48/96/668854896.db2.gz YXSSHLXJAVGFHE-JHZZJYKESA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025799136 685099246 /nfs/dbraw/zinc/09/92/46/685099246.db2.gz YXSSHLXJAVGFHE-NJURLYQPSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799136 685099241 /nfs/dbraw/zinc/09/92/41/685099241.db2.gz YXSSHLXJAVGFHE-NJURLYQPSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799136 685099237 /nfs/dbraw/zinc/09/92/37/685099237.db2.gz YXSSHLXJAVGFHE-NJURLYQPSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025799137 685098704 /nfs/dbraw/zinc/09/87/04/685098704.db2.gz YXSSHLXJAVGFHE-SSZWKKLZSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025799137 685098696 /nfs/dbraw/zinc/09/86/96/685098696.db2.gz YXSSHLXJAVGFHE-SSZWKKLZSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799137 685098690 /nfs/dbraw/zinc/09/86/90/685098690.db2.gz YXSSHLXJAVGFHE-SSZWKKLZSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025799138 685099165 /nfs/dbraw/zinc/09/91/65/685099165.db2.gz YXSSHLXJAVGFHE-ZHMBSYLPSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025799138 685099159 /nfs/dbraw/zinc/09/91/59/685099159.db2.gz YXSSHLXJAVGFHE-ZHMBSYLPSA-N 2 1 336.436 -1.016 20 0 EAADMP CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799138 685099152 /nfs/dbraw/zinc/09/91/52/685099152.db2.gz YXSSHLXJAVGFHE-ZHMBSYLPSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818256 668856286 /nfs/dbraw/zinc/85/62/86/668856286.db2.gz IYSZVNKDCHPZJV-KYFQHEKYSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818256 668856285 /nfs/dbraw/zinc/85/62/85/668856285.db2.gz IYSZVNKDCHPZJV-KYFQHEKYSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818256 668856283 /nfs/dbraw/zinc/85/62/83/668856283.db2.gz IYSZVNKDCHPZJV-KYFQHEKYSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818256 668856280 /nfs/dbraw/zinc/85/62/80/668856280.db2.gz IYSZVNKDCHPZJV-KYFQHEKYSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818257 668856077 /nfs/dbraw/zinc/85/60/77/668856077.db2.gz IYSZVNKDCHPZJV-YRKSKIDTSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818257 668856076 /nfs/dbraw/zinc/85/60/76/668856076.db2.gz IYSZVNKDCHPZJV-YRKSKIDTSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818257 668856074 /nfs/dbraw/zinc/85/60/74/668856074.db2.gz IYSZVNKDCHPZJV-YRKSKIDTSA-N 2 1 336.436 -1.017 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)O1 ZINC001025818257 668856073 /nfs/dbraw/zinc/85/60/73/668856073.db2.gz IYSZVNKDCHPZJV-YRKSKIDTSA-N 2 1 336.436 -1.017 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908408 668862548 /nfs/dbraw/zinc/86/25/48/668862548.db2.gz IGVPCRRDWIGDOB-HZSDHTGHSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908408 668862546 /nfs/dbraw/zinc/86/25/46/668862546.db2.gz IGVPCRRDWIGDOB-HZSDHTGHSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908408 668862544 /nfs/dbraw/zinc/86/25/44/668862544.db2.gz IGVPCRRDWIGDOB-HZSDHTGHSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908409 668862574 /nfs/dbraw/zinc/86/25/74/668862574.db2.gz IGVPCRRDWIGDOB-NAAYTTGZSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908409 668862573 /nfs/dbraw/zinc/86/25/73/668862573.db2.gz IGVPCRRDWIGDOB-NAAYTTGZSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908409 668862572 /nfs/dbraw/zinc/86/25/72/668862572.db2.gz IGVPCRRDWIGDOB-NAAYTTGZSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908410 668862561 /nfs/dbraw/zinc/86/25/61/668862561.db2.gz IGVPCRRDWIGDOB-NCASIDJTSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908410 668862560 /nfs/dbraw/zinc/86/25/60/668862560.db2.gz IGVPCRRDWIGDOB-NCASIDJTSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908410 668862558 /nfs/dbraw/zinc/86/25/58/668862558.db2.gz IGVPCRRDWIGDOB-NCASIDJTSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908411 668862517 /nfs/dbraw/zinc/86/25/17/668862517.db2.gz IGVPCRRDWIGDOB-QDFAOZQBSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908411 668862516 /nfs/dbraw/zinc/86/25/16/668862516.db2.gz IGVPCRRDWIGDOB-QDFAOZQBSA-N 2 1 346.431 -1.216 20 0 EAADMP O=C(N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908411 668862514 /nfs/dbraw/zinc/86/25/14/668862514.db2.gz IGVPCRRDWIGDOB-QDFAOZQBSA-N 2 1 346.431 -1.216 20 0 EAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908678 668862588 /nfs/dbraw/zinc/86/25/88/668862588.db2.gz UNWRQLHFUAQYIW-BGAQDMIXSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908678 668862587 /nfs/dbraw/zinc/86/25/87/668862587.db2.gz UNWRQLHFUAQYIW-BGAQDMIXSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908678 668862585 /nfs/dbraw/zinc/86/25/85/668862585.db2.gz UNWRQLHFUAQYIW-BGAQDMIXSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908678 668862584 /nfs/dbraw/zinc/86/25/84/668862584.db2.gz UNWRQLHFUAQYIW-BGAQDMIXSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908679 668862658 /nfs/dbraw/zinc/86/26/58/668862658.db2.gz UNWRQLHFUAQYIW-FPUOZFPYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908679 668862655 /nfs/dbraw/zinc/86/26/55/668862655.db2.gz UNWRQLHFUAQYIW-FPUOZFPYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908679 668862653 /nfs/dbraw/zinc/86/26/53/668862653.db2.gz UNWRQLHFUAQYIW-FPUOZFPYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908679 668862651 /nfs/dbraw/zinc/86/26/51/668862651.db2.gz UNWRQLHFUAQYIW-FPUOZFPYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908680 668862535 /nfs/dbraw/zinc/86/25/35/668862535.db2.gz UNWRQLHFUAQYIW-XHDDQECSSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908680 668862534 /nfs/dbraw/zinc/86/25/34/668862534.db2.gz UNWRQLHFUAQYIW-XHDDQECSSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908680 668862532 /nfs/dbraw/zinc/86/25/32/668862532.db2.gz UNWRQLHFUAQYIW-XHDDQECSSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908680 668862531 /nfs/dbraw/zinc/86/25/31/668862531.db2.gz UNWRQLHFUAQYIW-XHDDQECSSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001025908681 668862636 /nfs/dbraw/zinc/86/26/36/668862636.db2.gz UNWRQLHFUAQYIW-ZCZDJDIYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001025908681 668862634 /nfs/dbraw/zinc/86/26/34/668862634.db2.gz UNWRQLHFUAQYIW-ZCZDJDIYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908681 668862633 /nfs/dbraw/zinc/86/26/33/668862633.db2.gz UNWRQLHFUAQYIW-ZCZDJDIYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908681 668862631 /nfs/dbraw/zinc/86/26/31/668862631.db2.gz UNWRQLHFUAQYIW-ZCZDJDIYSA-N 2 1 334.420 -1.230 20 0 EAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045553 668068667 /nfs/dbraw/zinc/06/86/67/668068667.db2.gz HVXRNKJRSINEMH-GGAZOKNXSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045553 668068663 /nfs/dbraw/zinc/06/86/63/668068663.db2.gz HVXRNKJRSINEMH-GGAZOKNXSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045553 668068658 /nfs/dbraw/zinc/06/86/58/668068658.db2.gz HVXRNKJRSINEMH-GGAZOKNXSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045554 668068754 /nfs/dbraw/zinc/06/87/54/668068754.db2.gz HVXRNKJRSINEMH-JYKNGBAOSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045554 668068748 /nfs/dbraw/zinc/06/87/48/668068748.db2.gz HVXRNKJRSINEMH-JYKNGBAOSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045554 668068746 /nfs/dbraw/zinc/06/87/46/668068746.db2.gz HVXRNKJRSINEMH-JYKNGBAOSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045555 668068630 /nfs/dbraw/zinc/06/86/30/668068630.db2.gz HVXRNKJRSINEMH-NTASLKFISA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045555 668068622 /nfs/dbraw/zinc/06/86/22/668068622.db2.gz HVXRNKJRSINEMH-NTASLKFISA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045555 668068618 /nfs/dbraw/zinc/06/86/18/668068618.db2.gz HVXRNKJRSINEMH-NTASLKFISA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045556 668068804 /nfs/dbraw/zinc/06/88/04/668068804.db2.gz HVXRNKJRSINEMH-XOBFJNJYSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045556 668068799 /nfs/dbraw/zinc/06/87/99/668068799.db2.gz HVXRNKJRSINEMH-XOBFJNJYSA-N 2 1 349.435 -1.218 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001026045556 668068793 /nfs/dbraw/zinc/06/87/93/668068793.db2.gz HVXRNKJRSINEMH-XOBFJNJYSA-N 2 1 349.435 -1.218 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147750 668074766 /nfs/dbraw/zinc/07/47/66/668074766.db2.gz DLUKYCANEUEHPB-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147750 668074764 /nfs/dbraw/zinc/07/47/64/668074764.db2.gz DLUKYCANEUEHPB-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147750 668074761 /nfs/dbraw/zinc/07/47/61/668074761.db2.gz DLUKYCANEUEHPB-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147750 668074758 /nfs/dbraw/zinc/07/47/58/668074758.db2.gz DLUKYCANEUEHPB-AIEDFZFUSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147751 668074748 /nfs/dbraw/zinc/07/47/48/668074748.db2.gz DLUKYCANEUEHPB-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147751 668074746 /nfs/dbraw/zinc/07/47/46/668074746.db2.gz DLUKYCANEUEHPB-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147751 668074742 /nfs/dbraw/zinc/07/47/42/668074742.db2.gz DLUKYCANEUEHPB-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147751 668074738 /nfs/dbraw/zinc/07/47/38/668074738.db2.gz DLUKYCANEUEHPB-KHMAMNHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147752 668074524 /nfs/dbraw/zinc/07/45/24/668074524.db2.gz DLUKYCANEUEHPB-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147752 668074522 /nfs/dbraw/zinc/07/45/22/668074522.db2.gz DLUKYCANEUEHPB-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147752 668074515 /nfs/dbraw/zinc/07/45/15/668074515.db2.gz DLUKYCANEUEHPB-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147752 668074511 /nfs/dbraw/zinc/07/45/11/668074511.db2.gz DLUKYCANEUEHPB-SEBNEYGDSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147753 668074804 /nfs/dbraw/zinc/07/48/04/668074804.db2.gz DLUKYCANEUEHPB-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147753 668074801 /nfs/dbraw/zinc/07/48/01/668074801.db2.gz DLUKYCANEUEHPB-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147753 668074799 /nfs/dbraw/zinc/07/47/99/668074799.db2.gz DLUKYCANEUEHPB-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026147753 668074797 /nfs/dbraw/zinc/07/47/97/668074797.db2.gz DLUKYCANEUEHPB-XPABHHOTSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001026917218 668161203 /nfs/dbraw/zinc/16/12/03/668161203.db2.gz XHWVYZFKXIQCAK-FRRDWIJNSA-N 2 1 337.428 -1.133 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001026917218 668161200 /nfs/dbraw/zinc/16/12/00/668161200.db2.gz XHWVYZFKXIQCAK-FRRDWIJNSA-N 2 1 337.428 -1.133 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001026917219 668161267 /nfs/dbraw/zinc/16/12/67/668161267.db2.gz XHWVYZFKXIQCAK-JHJVBQTASA-N 2 1 337.428 -1.133 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)O1 ZINC001026917219 668161265 /nfs/dbraw/zinc/16/12/65/668161265.db2.gz XHWVYZFKXIQCAK-JHJVBQTASA-N 2 1 337.428 -1.133 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027123592 668186323 /nfs/dbraw/zinc/18/63/23/668186323.db2.gz TWHFSASLWQDIPW-CYBMUJFWSA-N 2 1 337.428 -1.130 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027123593 668186301 /nfs/dbraw/zinc/18/63/01/668186301.db2.gz TWHFSASLWQDIPW-ZDUSSCGKSA-N 2 1 337.428 -1.130 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227855 668206586 /nfs/dbraw/zinc/20/65/86/668206586.db2.gz FORHGNOCSISIBR-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227855 668206580 /nfs/dbraw/zinc/20/65/80/668206580.db2.gz FORHGNOCSISIBR-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227856 668206504 /nfs/dbraw/zinc/20/65/04/668206504.db2.gz FORHGNOCSISIBR-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227856 668206501 /nfs/dbraw/zinc/20/65/01/668206501.db2.gz FORHGNOCSISIBR-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227857 668206420 /nfs/dbraw/zinc/20/64/20/668206420.db2.gz FORHGNOCSISIBR-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227857 668206414 /nfs/dbraw/zinc/20/64/14/668206414.db2.gz FORHGNOCSISIBR-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227858 668206382 /nfs/dbraw/zinc/20/63/82/668206382.db2.gz FORHGNOCSISIBR-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001027227858 668206381 /nfs/dbraw/zinc/20/63/81/668206381.db2.gz FORHGNOCSISIBR-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001028460701 668780312 /nfs/dbraw/zinc/78/03/12/668780312.db2.gz APJWJWIQYCUTKZ-KBPBESRZSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001028460701 668780310 /nfs/dbraw/zinc/78/03/10/668780310.db2.gz APJWJWIQYCUTKZ-KBPBESRZSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460701 668780306 /nfs/dbraw/zinc/78/03/06/668780306.db2.gz APJWJWIQYCUTKZ-KBPBESRZSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460701 668780303 /nfs/dbraw/zinc/78/03/03/668780303.db2.gz APJWJWIQYCUTKZ-KBPBESRZSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001028460702 668780366 /nfs/dbraw/zinc/78/03/66/668780366.db2.gz APJWJWIQYCUTKZ-KGLIPLIRSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001028460702 668780364 /nfs/dbraw/zinc/78/03/64/668780364.db2.gz APJWJWIQYCUTKZ-KGLIPLIRSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460702 668780362 /nfs/dbraw/zinc/78/03/62/668780362.db2.gz APJWJWIQYCUTKZ-KGLIPLIRSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460702 668780360 /nfs/dbraw/zinc/78/03/60/668780360.db2.gz APJWJWIQYCUTKZ-KGLIPLIRSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001028460703 668780431 /nfs/dbraw/zinc/78/04/31/668780431.db2.gz APJWJWIQYCUTKZ-UONOGXRCSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001028460703 668780429 /nfs/dbraw/zinc/78/04/29/668780429.db2.gz APJWJWIQYCUTKZ-UONOGXRCSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460703 668780426 /nfs/dbraw/zinc/78/04/26/668780426.db2.gz APJWJWIQYCUTKZ-UONOGXRCSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460703 668780424 /nfs/dbraw/zinc/78/04/24/668780424.db2.gz APJWJWIQYCUTKZ-UONOGXRCSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001028460704 668780393 /nfs/dbraw/zinc/78/03/93/668780393.db2.gz APJWJWIQYCUTKZ-ZIAGYGMSSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CCN3CCNC3=O)C2)C1 ZINC001028460704 668780391 /nfs/dbraw/zinc/78/03/91/668780391.db2.gz APJWJWIQYCUTKZ-ZIAGYGMSSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460704 668780388 /nfs/dbraw/zinc/78/03/88/668780388.db2.gz APJWJWIQYCUTKZ-ZIAGYGMSSA-N 2 1 339.440 -1.220 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001028460704 668780385 /nfs/dbraw/zinc/78/03/85/668780385.db2.gz APJWJWIQYCUTKZ-ZIAGYGMSSA-N 2 1 339.440 -1.220 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985446 668829677 /nfs/dbraw/zinc/82/96/77/668829677.db2.gz LRMXDOGNBBYHBJ-CHWSQXEVSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985446 668829676 /nfs/dbraw/zinc/82/96/76/668829676.db2.gz LRMXDOGNBBYHBJ-CHWSQXEVSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985446 668829675 /nfs/dbraw/zinc/82/96/75/668829675.db2.gz LRMXDOGNBBYHBJ-CHWSQXEVSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985451 668829525 /nfs/dbraw/zinc/82/95/25/668829525.db2.gz LRMXDOGNBBYHBJ-OLZOCXBDSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985451 668829521 /nfs/dbraw/zinc/82/95/21/668829521.db2.gz LRMXDOGNBBYHBJ-OLZOCXBDSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985451 668829519 /nfs/dbraw/zinc/82/95/19/668829519.db2.gz LRMXDOGNBBYHBJ-OLZOCXBDSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985453 668829686 /nfs/dbraw/zinc/82/96/86/668829686.db2.gz LRMXDOGNBBYHBJ-QWHCGFSZSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985453 668829685 /nfs/dbraw/zinc/82/96/85/668829685.db2.gz LRMXDOGNBBYHBJ-QWHCGFSZSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985453 668829684 /nfs/dbraw/zinc/82/96/84/668829684.db2.gz LRMXDOGNBBYHBJ-QWHCGFSZSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985455 668829757 /nfs/dbraw/zinc/82/97/57/668829757.db2.gz LRMXDOGNBBYHBJ-STQMWFEESA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985455 668829755 /nfs/dbraw/zinc/82/97/55/668829755.db2.gz LRMXDOGNBBYHBJ-STQMWFEESA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001028985455 668829753 /nfs/dbraw/zinc/82/97/53/668829753.db2.gz LRMXDOGNBBYHBJ-STQMWFEESA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031593593 669952437 /nfs/dbraw/zinc/95/24/37/669952437.db2.gz DVFHXPGSTCWVEC-CABCVRRESA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031593593 669952431 /nfs/dbraw/zinc/95/24/31/669952431.db2.gz DVFHXPGSTCWVEC-CABCVRRESA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031593594 669952570 /nfs/dbraw/zinc/95/25/70/669952570.db2.gz DVFHXPGSTCWVEC-GJZGRUSLSA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031593594 669952567 /nfs/dbraw/zinc/95/25/67/669952567.db2.gz DVFHXPGSTCWVEC-GJZGRUSLSA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031593595 669952448 /nfs/dbraw/zinc/95/24/48/669952448.db2.gz DVFHXPGSTCWVEC-HUUCEWRRSA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)C1 ZINC001031593595 669952445 /nfs/dbraw/zinc/95/24/45/669952445.db2.gz DVFHXPGSTCWVEC-HUUCEWRRSA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031593596 669952050 /nfs/dbraw/zinc/95/20/50/669952050.db2.gz DVFHXPGSTCWVEC-LSDHHAIUSA-N 2 1 337.424 -1.377 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)C1 ZINC001031593596 669952047 /nfs/dbraw/zinc/95/20/47/669952047.db2.gz DVFHXPGSTCWVEC-LSDHHAIUSA-N 2 1 337.424 -1.377 20 0 EAADMP O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674092 669961749 /nfs/dbraw/zinc/96/17/49/669961749.db2.gz DMLRLYSWEYCREV-AWEZNQCLSA-N 2 1 349.435 -1.072 20 0 EAADMP O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674093 669961647 /nfs/dbraw/zinc/96/16/47/669961647.db2.gz DMLRLYSWEYCREV-CQSZACIVSA-N 2 1 349.435 -1.072 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001031681453 669962300 /nfs/dbraw/zinc/96/23/00/669962300.db2.gz SEJBGCGBSYLVFO-DGCLKSJQSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001031681453 669962297 /nfs/dbraw/zinc/96/22/97/669962297.db2.gz SEJBGCGBSYLVFO-DGCLKSJQSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2CN(CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001031681453 669962296 /nfs/dbraw/zinc/96/22/96/669962296.db2.gz SEJBGCGBSYLVFO-DGCLKSJQSA-N 2 1 337.424 -1.074 20 0 EAADMP C[NH+]1CCC(C(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001031948975 669256479 /nfs/dbraw/zinc/25/64/79/669256479.db2.gz WYWQJSFOQNPULV-UHFFFAOYSA-N 2 1 337.424 -1.072 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975915 669320281 /nfs/dbraw/zinc/32/02/81/669320281.db2.gz BLLTYQNYNULKGX-AAEUAGOBSA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975915 669320275 /nfs/dbraw/zinc/32/02/75/669320275.db2.gz BLLTYQNYNULKGX-AAEUAGOBSA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975916 669320184 /nfs/dbraw/zinc/32/01/84/669320184.db2.gz BLLTYQNYNULKGX-DGCLKSJQSA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975916 669320177 /nfs/dbraw/zinc/32/01/77/669320177.db2.gz BLLTYQNYNULKGX-DGCLKSJQSA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975917 669319797 /nfs/dbraw/zinc/31/97/97/669319797.db2.gz BLLTYQNYNULKGX-WCQYABFASA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975917 669319792 /nfs/dbraw/zinc/31/97/92/669319792.db2.gz BLLTYQNYNULKGX-WCQYABFASA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975918 669319833 /nfs/dbraw/zinc/31/98/33/669319833.db2.gz BLLTYQNYNULKGX-YPMHNXCESA-N 2 1 337.424 -1.216 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001031975918 669319830 /nfs/dbraw/zinc/31/98/30/669319830.db2.gz BLLTYQNYNULKGX-YPMHNXCESA-N 2 1 337.424 -1.216 20 0 EAADMP O=C(NCC1C[NH+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001032131641 669475720 /nfs/dbraw/zinc/47/57/20/669475720.db2.gz PROPAARTKZUTPW-UHFFFAOYSA-N 2 1 335.408 -1.318 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032181058 669487331 /nfs/dbraw/zinc/48/73/31/669487331.db2.gz AKAALWJYAJEZLA-CABCVRRESA-N 2 1 338.452 -1.031 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032181059 669487237 /nfs/dbraw/zinc/48/72/37/669487237.db2.gz AKAALWJYAJEZLA-GJZGRUSLSA-N 2 1 338.452 -1.031 20 0 EAADMP Cn1c(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001032186139 669494294 /nfs/dbraw/zinc/49/42/94/669494294.db2.gz JDFVIHQICOFOAC-CYBMUJFWSA-N 2 1 349.435 -1.416 20 0 EAADMP Cn1c(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001032186139 669494293 /nfs/dbraw/zinc/49/42/93/669494293.db2.gz JDFVIHQICOFOAC-CYBMUJFWSA-N 2 1 349.435 -1.416 20 0 EAADMP Cn1c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001032186140 669494322 /nfs/dbraw/zinc/49/43/22/669494322.db2.gz JDFVIHQICOFOAC-ZDUSSCGKSA-N 2 1 349.435 -1.416 20 0 EAADMP Cn1c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc(=O)n(C)c1=O ZINC001032186140 669494318 /nfs/dbraw/zinc/49/43/18/669494318.db2.gz JDFVIHQICOFOAC-ZDUSSCGKSA-N 2 1 349.435 -1.416 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001032186846 669492728 /nfs/dbraw/zinc/49/27/28/669492728.db2.gz YBKJVTWSEYDZTQ-CYBMUJFWSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001032186847 669492888 /nfs/dbraw/zinc/49/28/88/669492888.db2.gz YBKJVTWSEYDZTQ-ZDUSSCGKSA-N 2 1 337.424 -1.072 20 0 EAADMP O=C(NC[C@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001038927552 673076872 /nfs/dbraw/zinc/07/68/72/673076872.db2.gz WRXBHNYFEAGKGX-GFCCVEGCSA-N 2 1 335.408 -1.176 20 0 EAADMP O=C(NC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001038927552 673076871 /nfs/dbraw/zinc/07/68/71/673076871.db2.gz WRXBHNYFEAGKGX-GFCCVEGCSA-N 2 1 335.408 -1.176 20 0 EAADMP O=C(NC[C@@H]1CC[N@H+]1CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001038927554 673076852 /nfs/dbraw/zinc/07/68/52/673076852.db2.gz WRXBHNYFEAGKGX-LBPRGKRZSA-N 2 1 335.408 -1.176 20 0 EAADMP O=C(NC[C@@H]1CC[N@@H+]1CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001038927554 673076851 /nfs/dbraw/zinc/07/68/51/673076851.db2.gz WRXBHNYFEAGKGX-LBPRGKRZSA-N 2 1 335.408 -1.176 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760843 673128901 /nfs/dbraw/zinc/12/89/01/673128901.db2.gz URTMRIHFTAJLJX-BBRMVZONSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760844 673128851 /nfs/dbraw/zinc/12/88/51/673128851.db2.gz URTMRIHFTAJLJX-CJNGLKHVSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001039760845 673128925 /nfs/dbraw/zinc/12/89/25/673128925.db2.gz URTMRIHFTAJLJX-CZUORRHYSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001039760846 673128993 /nfs/dbraw/zinc/12/89/93/673128993.db2.gz URTMRIHFTAJLJX-XJKSGUPXSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001040794327 669872253 /nfs/dbraw/zinc/87/22/53/669872253.db2.gz DSTWPLBUEHGMKP-BBRMVZONSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001040794327 669872249 /nfs/dbraw/zinc/87/22/49/669872249.db2.gz DSTWPLBUEHGMKP-BBRMVZONSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001040794329 669872231 /nfs/dbraw/zinc/87/22/31/669872231.db2.gz DSTWPLBUEHGMKP-CJNGLKHVSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001040794329 669872228 /nfs/dbraw/zinc/87/22/28/669872228.db2.gz DSTWPLBUEHGMKP-CJNGLKHVSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001040794410 669872141 /nfs/dbraw/zinc/87/21/41/669872141.db2.gz DSTWPLBUEHGMKP-CZUORRHYSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001040794410 669872139 /nfs/dbraw/zinc/87/21/39/669872139.db2.gz DSTWPLBUEHGMKP-CZUORRHYSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001040794413 669872206 /nfs/dbraw/zinc/87/22/06/669872206.db2.gz DSTWPLBUEHGMKP-XJKSGUPXSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001040794413 669872204 /nfs/dbraw/zinc/87/22/04/669872204.db2.gz DSTWPLBUEHGMKP-XJKSGUPXSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040801855 673260522 /nfs/dbraw/zinc/26/05/22/673260522.db2.gz VVSUOCVWSJWXFK-BBRMVZONSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040801856 673260471 /nfs/dbraw/zinc/26/04/71/673260471.db2.gz VVSUOCVWSJWXFK-CJNGLKHVSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001040801857 673260680 /nfs/dbraw/zinc/26/06/80/673260680.db2.gz VVSUOCVWSJWXFK-CZUORRHYSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001040801858 673260528 /nfs/dbraw/zinc/26/05/28/673260528.db2.gz VVSUOCVWSJWXFK-XJKSGUPXSA-N 2 1 326.441 -1.031 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042098171 673409296 /nfs/dbraw/zinc/40/92/96/673409296.db2.gz OJIPQBZORQIXRN-CYBMUJFWSA-N 2 1 336.436 -1.134 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001042098173 673409114 /nfs/dbraw/zinc/40/91/14/673409114.db2.gz OJIPQBZORQIXRN-ZDUSSCGKSA-N 2 1 336.436 -1.134 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042098573 673409190 /nfs/dbraw/zinc/40/91/90/673409190.db2.gz TVGMUDWWTMOJMJ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042098574 673409281 /nfs/dbraw/zinc/40/92/81/673409281.db2.gz TVGMUDWWTMOJMJ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042294185 673431789 /nfs/dbraw/zinc/43/17/89/673431789.db2.gz BJDKXHRMDWUWMA-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042294185 673431787 /nfs/dbraw/zinc/43/17/87/673431787.db2.gz BJDKXHRMDWUWMA-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042294185 673431786 /nfs/dbraw/zinc/43/17/86/673431786.db2.gz BJDKXHRMDWUWMA-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042294185 673431785 /nfs/dbraw/zinc/43/17/85/673431785.db2.gz BJDKXHRMDWUWMA-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042294186 673431781 /nfs/dbraw/zinc/43/17/81/673431781.db2.gz BJDKXHRMDWUWMA-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042294186 673431779 /nfs/dbraw/zinc/43/17/79/673431779.db2.gz BJDKXHRMDWUWMA-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042294186 673431778 /nfs/dbraw/zinc/43/17/78/673431778.db2.gz BJDKXHRMDWUWMA-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042294186 673431776 /nfs/dbraw/zinc/43/17/76/673431776.db2.gz BJDKXHRMDWUWMA-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001042294507 673431722 /nfs/dbraw/zinc/43/17/22/673431722.db2.gz FMEHHXZCZWWMDE-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001042294507 673431718 /nfs/dbraw/zinc/43/17/18/673431718.db2.gz FMEHHXZCZWWMDE-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001042294510 673431983 /nfs/dbraw/zinc/43/19/83/673431983.db2.gz FMEHHXZCZWWMDE-OLZOCXBDSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001042294510 673431982 /nfs/dbraw/zinc/43/19/82/673431982.db2.gz FMEHHXZCZWWMDE-OLZOCXBDSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001042294512 673431868 /nfs/dbraw/zinc/43/18/68/673431868.db2.gz FMEHHXZCZWWMDE-QWHCGFSZSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001042294512 673431866 /nfs/dbraw/zinc/43/18/66/673431866.db2.gz FMEHHXZCZWWMDE-QWHCGFSZSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001042294515 673432063 /nfs/dbraw/zinc/43/20/63/673432063.db2.gz FMEHHXZCZWWMDE-STQMWFEESA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001042294515 673432061 /nfs/dbraw/zinc/43/20/61/673432061.db2.gz FMEHHXZCZWWMDE-STQMWFEESA-N 2 1 342.440 -1.653 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042294709 673431828 /nfs/dbraw/zinc/43/18/28/673431828.db2.gz GRQRUJJUZFGJSS-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042294709 673431825 /nfs/dbraw/zinc/43/18/25/673431825.db2.gz GRQRUJJUZFGJSS-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042294709 673431821 /nfs/dbraw/zinc/43/18/21/673431821.db2.gz GRQRUJJUZFGJSS-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042294709 673431816 /nfs/dbraw/zinc/43/18/16/673431816.db2.gz GRQRUJJUZFGJSS-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042294710 673431971 /nfs/dbraw/zinc/43/19/71/673431971.db2.gz GRQRUJJUZFGJSS-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042294710 673431970 /nfs/dbraw/zinc/43/19/70/673431970.db2.gz GRQRUJJUZFGJSS-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042294710 673431969 /nfs/dbraw/zinc/43/19/69/673431969.db2.gz GRQRUJJUZFGJSS-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042294710 673431968 /nfs/dbraw/zinc/43/19/68/673431968.db2.gz GRQRUJJUZFGJSS-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295443 673432578 /nfs/dbraw/zinc/43/25/78/673432578.db2.gz OPPHIUZRIJRUGL-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295443 673432573 /nfs/dbraw/zinc/43/25/73/673432573.db2.gz OPPHIUZRIJRUGL-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295444 673432330 /nfs/dbraw/zinc/43/23/30/673432330.db2.gz OPPHIUZRIJRUGL-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295444 673432329 /nfs/dbraw/zinc/43/23/29/673432329.db2.gz OPPHIUZRIJRUGL-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295478 673433076 /nfs/dbraw/zinc/43/30/76/673433076.db2.gz PLQLXMDQUQNBKK-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295478 673433074 /nfs/dbraw/zinc/43/30/74/673433074.db2.gz PLQLXMDQUQNBKK-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295479 673433064 /nfs/dbraw/zinc/43/30/64/673433064.db2.gz PLQLXMDQUQNBKK-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295479 673433063 /nfs/dbraw/zinc/43/30/63/673433063.db2.gz PLQLXMDQUQNBKK-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295809 673433145 /nfs/dbraw/zinc/43/31/45/673433145.db2.gz SVVFIZQFZHXRQA-GFCCVEGCSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295809 673433144 /nfs/dbraw/zinc/43/31/44/673433144.db2.gz SVVFIZQFZHXRQA-GFCCVEGCSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295810 673432963 /nfs/dbraw/zinc/43/29/63/673432963.db2.gz SVVFIZQFZHXRQA-LBPRGKRZSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295810 673432962 /nfs/dbraw/zinc/43/29/62/673432962.db2.gz SVVFIZQFZHXRQA-LBPRGKRZSA-N 2 1 328.413 -2.042 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299531 673434108 /nfs/dbraw/zinc/43/41/08/673434108.db2.gz CZIRJHDZDRIWOC-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299531 673434107 /nfs/dbraw/zinc/43/41/07/673434107.db2.gz CZIRJHDZDRIWOC-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042299531 673434105 /nfs/dbraw/zinc/43/41/05/673434105.db2.gz CZIRJHDZDRIWOC-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001042299531 673434104 /nfs/dbraw/zinc/43/41/04/673434104.db2.gz CZIRJHDZDRIWOC-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299532 673434162 /nfs/dbraw/zinc/43/41/62/673434162.db2.gz CZIRJHDZDRIWOC-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299532 673434161 /nfs/dbraw/zinc/43/41/61/673434161.db2.gz CZIRJHDZDRIWOC-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042299532 673434159 /nfs/dbraw/zinc/43/41/59/673434159.db2.gz CZIRJHDZDRIWOC-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001042299532 673434157 /nfs/dbraw/zinc/43/41/57/673434157.db2.gz CZIRJHDZDRIWOC-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001042299732 673433934 /nfs/dbraw/zinc/43/39/34/673433934.db2.gz GYXZJMAAOJTFNH-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001042299732 673433932 /nfs/dbraw/zinc/43/39/32/673433932.db2.gz GYXZJMAAOJTFNH-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299732 673433931 /nfs/dbraw/zinc/43/39/31/673433931.db2.gz GYXZJMAAOJTFNH-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299732 673433929 /nfs/dbraw/zinc/43/39/29/673433929.db2.gz GYXZJMAAOJTFNH-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001042299733 673434290 /nfs/dbraw/zinc/43/42/90/673434290.db2.gz GYXZJMAAOJTFNH-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001042299733 673434288 /nfs/dbraw/zinc/43/42/88/673434288.db2.gz GYXZJMAAOJTFNH-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299733 673434286 /nfs/dbraw/zinc/43/42/86/673434286.db2.gz GYXZJMAAOJTFNH-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299733 673434284 /nfs/dbraw/zinc/43/42/84/673434284.db2.gz GYXZJMAAOJTFNH-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001042299734 673434179 /nfs/dbraw/zinc/43/41/79/673434179.db2.gz GYXZJMAAOJTFNH-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001042299734 673434177 /nfs/dbraw/zinc/43/41/77/673434177.db2.gz GYXZJMAAOJTFNH-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299734 673434175 /nfs/dbraw/zinc/43/41/75/673434175.db2.gz GYXZJMAAOJTFNH-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299734 673434172 /nfs/dbraw/zinc/43/41/72/673434172.db2.gz GYXZJMAAOJTFNH-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001042299735 673434138 /nfs/dbraw/zinc/43/41/38/673434138.db2.gz GYXZJMAAOJTFNH-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001042299735 673434137 /nfs/dbraw/zinc/43/41/37/673434137.db2.gz GYXZJMAAOJTFNH-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299735 673434136 /nfs/dbraw/zinc/43/41/36/673434136.db2.gz GYXZJMAAOJTFNH-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001042299735 673434135 /nfs/dbraw/zinc/43/41/35/673434135.db2.gz GYXZJMAAOJTFNH-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115019 673550228 /nfs/dbraw/zinc/55/02/28/673550228.db2.gz DDGCSLAPCVTBAY-KBPBESRZSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115020 673550164 /nfs/dbraw/zinc/55/01/64/673550164.db2.gz DDGCSLAPCVTBAY-KGLIPLIRSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115021 673550203 /nfs/dbraw/zinc/55/02/03/673550203.db2.gz DDGCSLAPCVTBAY-UONOGXRCSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043115022 673550290 /nfs/dbraw/zinc/55/02/90/673550290.db2.gz DDGCSLAPCVTBAY-ZIAGYGMSSA-N 2 1 338.452 -1.032 20 0 EAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001043115521 673550593 /nfs/dbraw/zinc/55/05/93/673550593.db2.gz HYGHEQREISWETQ-CHWSQXEVSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001043115524 673550897 /nfs/dbraw/zinc/55/08/97/673550897.db2.gz HYGHEQREISWETQ-OLZOCXBDSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001043115526 673550763 /nfs/dbraw/zinc/55/07/63/673550763.db2.gz HYGHEQREISWETQ-QWHCGFSZSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001043115528 673550614 /nfs/dbraw/zinc/55/06/14/673550614.db2.gz HYGHEQREISWETQ-STQMWFEESA-N 2 1 326.441 -1.032 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115808 673551283 /nfs/dbraw/zinc/55/12/83/673551283.db2.gz JRBRRBCXXRXGAE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115808 673551281 /nfs/dbraw/zinc/55/12/81/673551281.db2.gz JRBRRBCXXRXGAE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001043115808 673551279 /nfs/dbraw/zinc/55/12/79/673551279.db2.gz JRBRRBCXXRXGAE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115809 673551237 /nfs/dbraw/zinc/55/12/37/673551237.db2.gz JRBRRBCXXRXGAE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115809 673551234 /nfs/dbraw/zinc/55/12/34/673551234.db2.gz JRBRRBCXXRXGAE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001043115809 673551232 /nfs/dbraw/zinc/55/12/32/673551232.db2.gz JRBRRBCXXRXGAE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115810 673551318 /nfs/dbraw/zinc/55/13/18/673551318.db2.gz JRBRRBCXXRXGAE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115810 673551316 /nfs/dbraw/zinc/55/13/16/673551316.db2.gz JRBRRBCXXRXGAE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001043115810 673551313 /nfs/dbraw/zinc/55/13/13/673551313.db2.gz JRBRRBCXXRXGAE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043115812 673551041 /nfs/dbraw/zinc/55/10/41/673551041.db2.gz JRBRRBCXXRXGAE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043115812 673551037 /nfs/dbraw/zinc/55/10/37/673551037.db2.gz JRBRRBCXXRXGAE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001043115812 673551034 /nfs/dbraw/zinc/55/10/34/673551034.db2.gz JRBRRBCXXRXGAE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043115864 673551329 /nfs/dbraw/zinc/55/13/29/673551329.db2.gz KDKCPDYQMOYYDC-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043115865 673551210 /nfs/dbraw/zinc/55/12/10/673551210.db2.gz KDKCPDYQMOYYDC-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043115879 673551080 /nfs/dbraw/zinc/55/10/80/673551080.db2.gz KVFYDYQRFUNWJB-AWEZNQCLSA-N 2 1 338.452 -1.031 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043115880 673551205 /nfs/dbraw/zinc/55/12/05/673551205.db2.gz KVFYDYQRFUNWJB-CQSZACIVSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001043115924 673551088 /nfs/dbraw/zinc/55/10/88/673551088.db2.gz LSTRWDHEHOJLDX-CYBMUJFWSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001043115926 673551178 /nfs/dbraw/zinc/55/11/78/673551178.db2.gz LSTRWDHEHOJLDX-ZDUSSCGKSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043116091 673551260 /nfs/dbraw/zinc/55/12/60/673551260.db2.gz MEWPNROMACNFGQ-CYBMUJFWSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043116092 673551294 /nfs/dbraw/zinc/55/12/94/673551294.db2.gz MEWPNROMACNFGQ-ZDUSSCGKSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001043116742 673551779 /nfs/dbraw/zinc/55/17/79/673551779.db2.gz QFMRLSHNTNGRRS-CYBMUJFWSA-N 2 1 336.436 -1.277 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001043116744 673551721 /nfs/dbraw/zinc/55/17/21/673551721.db2.gz QFMRLSHNTNGRRS-ZDUSSCGKSA-N 2 1 336.436 -1.277 20 0 EAADMP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043117090 673551757 /nfs/dbraw/zinc/55/17/57/673551757.db2.gz STOHEFQBICRDNA-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043117091 673551777 /nfs/dbraw/zinc/55/17/77/673551777.db2.gz STOHEFQBICRDNA-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043117145 673552186 /nfs/dbraw/zinc/55/21/86/673552186.db2.gz UEKHRXQJJNMVDP-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043117145 673552184 /nfs/dbraw/zinc/55/21/84/673552184.db2.gz UEKHRXQJJNMVDP-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043117145 673552181 /nfs/dbraw/zinc/55/21/81/673552181.db2.gz UEKHRXQJJNMVDP-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043117146 673552106 /nfs/dbraw/zinc/55/21/06/673552106.db2.gz UEKHRXQJJNMVDP-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043117146 673552105 /nfs/dbraw/zinc/55/21/05/673552105.db2.gz UEKHRXQJJNMVDP-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043117146 673552103 /nfs/dbraw/zinc/55/21/03/673552103.db2.gz UEKHRXQJJNMVDP-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118458 673552128 /nfs/dbraw/zinc/55/21/28/673552128.db2.gz YVAIIVIRCZVHAE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118458 673552125 /nfs/dbraw/zinc/55/21/25/673552125.db2.gz YVAIIVIRCZVHAE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118458 673552122 /nfs/dbraw/zinc/55/21/22/673552122.db2.gz YVAIIVIRCZVHAE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118460 673552276 /nfs/dbraw/zinc/55/22/76/673552276.db2.gz YVAIIVIRCZVHAE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118460 673552271 /nfs/dbraw/zinc/55/22/71/673552271.db2.gz YVAIIVIRCZVHAE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118460 673552268 /nfs/dbraw/zinc/55/22/68/673552268.db2.gz YVAIIVIRCZVHAE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118461 673552055 /nfs/dbraw/zinc/55/20/55/673552055.db2.gz YVAIIVIRCZVHAE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118461 673552054 /nfs/dbraw/zinc/55/20/54/673552054.db2.gz YVAIIVIRCZVHAE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118461 673552052 /nfs/dbraw/zinc/55/20/52/673552052.db2.gz YVAIIVIRCZVHAE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001043118463 673552222 /nfs/dbraw/zinc/55/22/22/673552222.db2.gz YVAIIVIRCZVHAE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118463 673552217 /nfs/dbraw/zinc/55/22/17/673552217.db2.gz YVAIIVIRCZVHAE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001043118463 673552212 /nfs/dbraw/zinc/55/22/12/673552212.db2.gz YVAIIVIRCZVHAE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043118506 673552805 /nfs/dbraw/zinc/55/28/05/673552805.db2.gz HNTDCTRFMZGOFW-HZSPNIEDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043118506 673552803 /nfs/dbraw/zinc/55/28/03/673552803.db2.gz HNTDCTRFMZGOFW-HZSPNIEDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043118506 673552802 /nfs/dbraw/zinc/55/28/02/673552802.db2.gz HNTDCTRFMZGOFW-HZSPNIEDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043118513 673552756 /nfs/dbraw/zinc/55/27/56/673552756.db2.gz HNTDCTRFMZGOFW-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043118513 673552754 /nfs/dbraw/zinc/55/27/54/673552754.db2.gz HNTDCTRFMZGOFW-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043118513 673552752 /nfs/dbraw/zinc/55/27/52/673552752.db2.gz HNTDCTRFMZGOFW-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118525 673552606 /nfs/dbraw/zinc/55/26/06/673552606.db2.gz ZKVLGKUILRWEAO-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118525 673552602 /nfs/dbraw/zinc/55/26/02/673552602.db2.gz ZKVLGKUILRWEAO-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043118525 673552599 /nfs/dbraw/zinc/55/25/99/673552599.db2.gz ZKVLGKUILRWEAO-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118527 673552693 /nfs/dbraw/zinc/55/26/93/673552693.db2.gz ZKVLGKUILRWEAO-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118527 673552692 /nfs/dbraw/zinc/55/26/92/673552692.db2.gz ZKVLGKUILRWEAO-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043118527 673552687 /nfs/dbraw/zinc/55/26/87/673552687.db2.gz ZKVLGKUILRWEAO-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001043118582 673552572 /nfs/dbraw/zinc/55/25/72/673552572.db2.gz ZXMKQKXZXRWCRO-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001043118582 673552568 /nfs/dbraw/zinc/55/25/68/673552568.db2.gz ZXMKQKXZXRWCRO-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118582 673552567 /nfs/dbraw/zinc/55/25/67/673552567.db2.gz ZXMKQKXZXRWCRO-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118582 673552562 /nfs/dbraw/zinc/55/25/62/673552562.db2.gz ZXMKQKXZXRWCRO-CHWSQXEVSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001043118583 673552458 /nfs/dbraw/zinc/55/24/58/673552458.db2.gz ZXMKQKXZXRWCRO-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001043118583 673552456 /nfs/dbraw/zinc/55/24/56/673552456.db2.gz ZXMKQKXZXRWCRO-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118583 673552454 /nfs/dbraw/zinc/55/24/54/673552454.db2.gz ZXMKQKXZXRWCRO-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118583 673552453 /nfs/dbraw/zinc/55/24/53/673552453.db2.gz ZXMKQKXZXRWCRO-OLZOCXBDSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001043118585 673552826 /nfs/dbraw/zinc/55/28/26/673552826.db2.gz ZXMKQKXZXRWCRO-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001043118585 673552825 /nfs/dbraw/zinc/55/28/25/673552825.db2.gz ZXMKQKXZXRWCRO-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118585 673552823 /nfs/dbraw/zinc/55/28/23/673552823.db2.gz ZXMKQKXZXRWCRO-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118585 673552820 /nfs/dbraw/zinc/55/28/20/673552820.db2.gz ZXMKQKXZXRWCRO-QWHCGFSZSA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001043118586 673552775 /nfs/dbraw/zinc/55/27/75/673552775.db2.gz ZXMKQKXZXRWCRO-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001043118586 673552773 /nfs/dbraw/zinc/55/27/73/673552773.db2.gz ZXMKQKXZXRWCRO-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118586 673552772 /nfs/dbraw/zinc/55/27/72/673552772.db2.gz ZXMKQKXZXRWCRO-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001043118586 673552771 /nfs/dbraw/zinc/55/27/71/673552771.db2.gz ZXMKQKXZXRWCRO-STQMWFEESA-N 2 1 340.424 -2.042 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118892 673552734 /nfs/dbraw/zinc/55/27/34/673552734.db2.gz NXCUKCWUCQBFJU-CYBMUJFWSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118892 673552730 /nfs/dbraw/zinc/55/27/30/673552730.db2.gz NXCUKCWUCQBFJU-CYBMUJFWSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043118892 673552729 /nfs/dbraw/zinc/55/27/29/673552729.db2.gz NXCUKCWUCQBFJU-CYBMUJFWSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118893 673552642 /nfs/dbraw/zinc/55/26/42/673552642.db2.gz NXCUKCWUCQBFJU-ZDUSSCGKSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118893 673552639 /nfs/dbraw/zinc/55/26/39/673552639.db2.gz NXCUKCWUCQBFJU-ZDUSSCGKSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043118893 673552635 /nfs/dbraw/zinc/55/26/35/673552635.db2.gz NXCUKCWUCQBFJU-ZDUSSCGKSA-N 2 1 326.441 -1.032 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043118914 673552798 /nfs/dbraw/zinc/55/27/98/673552798.db2.gz OUUAMBTWUWOXAH-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043118914 673552797 /nfs/dbraw/zinc/55/27/97/673552797.db2.gz OUUAMBTWUWOXAH-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043118915 673552788 /nfs/dbraw/zinc/55/27/88/673552788.db2.gz OUUAMBTWUWOXAH-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043118915 673552786 /nfs/dbraw/zinc/55/27/86/673552786.db2.gz OUUAMBTWUWOXAH-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043119108 673553042 /nfs/dbraw/zinc/55/30/42/673553042.db2.gz VDHFSGWJXPZOEH-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043119108 673553039 /nfs/dbraw/zinc/55/30/39/673553039.db2.gz VDHFSGWJXPZOEH-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043119109 673553099 /nfs/dbraw/zinc/55/30/99/673553099.db2.gz VDHFSGWJXPZOEH-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043119109 673553097 /nfs/dbraw/zinc/55/30/97/673553097.db2.gz VDHFSGWJXPZOEH-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043128105 673555845 /nfs/dbraw/zinc/55/58/45/673555845.db2.gz UGHRFVYZKMWTQK-CYBMUJFWSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001043128105 673555843 /nfs/dbraw/zinc/55/58/43/673555843.db2.gz UGHRFVYZKMWTQK-CYBMUJFWSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043128106 673555872 /nfs/dbraw/zinc/55/58/72/673555872.db2.gz UGHRFVYZKMWTQK-ZDUSSCGKSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001043128106 673555870 /nfs/dbraw/zinc/55/58/70/673555870.db2.gz UGHRFVYZKMWTQK-ZDUSSCGKSA-N 2 1 335.408 -1.025 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128646 673555824 /nfs/dbraw/zinc/55/58/24/673555824.db2.gz YZGVBPOQVWOFGE-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128649 673555807 /nfs/dbraw/zinc/55/58/07/673555807.db2.gz YZGVBPOQVWOFGE-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128651 673555743 /nfs/dbraw/zinc/55/57/43/673555743.db2.gz YZGVBPOQVWOFGE-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128654 673555726 /nfs/dbraw/zinc/55/57/26/673555726.db2.gz YZGVBPOQVWOFGE-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043129822 673556032 /nfs/dbraw/zinc/55/60/32/673556032.db2.gz FJRIKWPJPZTVEW-UHFFFAOYSA-N 2 1 347.419 -1.023 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043133857 673557371 /nfs/dbraw/zinc/55/73/71/673557371.db2.gz VOSGSTYOXFUHDB-UHFFFAOYSA-N 2 1 335.408 -1.023 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043134041 673557386 /nfs/dbraw/zinc/55/73/86/673557386.db2.gz ZZPZCXIELHYMIE-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043134041 673557383 /nfs/dbraw/zinc/55/73/83/673557383.db2.gz ZZPZCXIELHYMIE-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043134042 673557296 /nfs/dbraw/zinc/55/72/96/673557296.db2.gz ZZPZCXIELHYMIE-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043134042 673557294 /nfs/dbraw/zinc/55/72/94/673557294.db2.gz ZZPZCXIELHYMIE-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001043157503 673562067 /nfs/dbraw/zinc/56/20/67/673562067.db2.gz DSBSQCRLGKDBRW-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001043157503 673562065 /nfs/dbraw/zinc/56/20/65/673562065.db2.gz DSBSQCRLGKDBRW-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001043157515 673562011 /nfs/dbraw/zinc/56/20/11/673562011.db2.gz DSBSQCRLGKDBRW-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001043157515 673562008 /nfs/dbraw/zinc/56/20/08/673562008.db2.gz DSBSQCRLGKDBRW-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043159851 668945990 /nfs/dbraw/zinc/94/59/90/668945990.db2.gz JZQMSJBMVHAUDG-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043159852 668946126 /nfs/dbraw/zinc/94/61/26/668946126.db2.gz JZQMSJBMVHAUDG-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043263567 673577923 /nfs/dbraw/zinc/57/79/23/673577923.db2.gz LWGZOCVZEBQMQR-HZSPNIEDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043263567 673577922 /nfs/dbraw/zinc/57/79/22/673577922.db2.gz LWGZOCVZEBQMQR-HZSPNIEDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043263567 673577921 /nfs/dbraw/zinc/57/79/21/673577921.db2.gz LWGZOCVZEBQMQR-HZSPNIEDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC[NH+]1C ZINC001043263570 673577776 /nfs/dbraw/zinc/57/77/76/673577776.db2.gz LWGZOCVZEBQMQR-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC[NH+]1C ZINC001043263570 673577771 /nfs/dbraw/zinc/57/77/71/673577771.db2.gz LWGZOCVZEBQMQR-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)CC[N@H+]1C ZINC001043263570 673577768 /nfs/dbraw/zinc/57/77/68/673577768.db2.gz LWGZOCVZEBQMQR-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001043266713 673578355 /nfs/dbraw/zinc/57/83/55/673578355.db2.gz KOXCKYITSJYNQZ-CHWSQXEVSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001043284850 673579202 /nfs/dbraw/zinc/57/92/02/673579202.db2.gz BQSALVYNTZXLMX-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001043284850 673579199 /nfs/dbraw/zinc/57/91/99/673579199.db2.gz BQSALVYNTZXLMX-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001043284853 673579151 /nfs/dbraw/zinc/57/91/51/673579151.db2.gz BQSALVYNTZXLMX-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001043284853 673579150 /nfs/dbraw/zinc/57/91/50/673579150.db2.gz BQSALVYNTZXLMX-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001043429135 673605329 /nfs/dbraw/zinc/60/53/29/673605329.db2.gz XZGBNXKLPKKKHN-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001043429135 673605327 /nfs/dbraw/zinc/60/53/27/673605327.db2.gz XZGBNXKLPKKKHN-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001043429135 673605326 /nfs/dbraw/zinc/60/53/26/673605326.db2.gz XZGBNXKLPKKKHN-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001043429135 673605324 /nfs/dbraw/zinc/60/53/24/673605324.db2.gz XZGBNXKLPKKKHN-CYBMUJFWSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001043429137 673605301 /nfs/dbraw/zinc/60/53/01/673605301.db2.gz XZGBNXKLPKKKHN-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001043429137 673605298 /nfs/dbraw/zinc/60/52/98/673605298.db2.gz XZGBNXKLPKKKHN-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001043429137 673605297 /nfs/dbraw/zinc/60/52/97/673605297.db2.gz XZGBNXKLPKKKHN-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001043429137 673605294 /nfs/dbraw/zinc/60/52/94/673605294.db2.gz XZGBNXKLPKKKHN-ZDUSSCGKSA-N 2 1 342.440 -1.653 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001043432241 673606234 /nfs/dbraw/zinc/60/62/34/673606234.db2.gz XMKUAADZQLGXDV-UHFFFAOYSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043432790 673606595 /nfs/dbraw/zinc/60/65/95/673606595.db2.gz LFKQBODPOSAOGW-CYBMUJFWSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043432790 673606594 /nfs/dbraw/zinc/60/65/94/673606594.db2.gz LFKQBODPOSAOGW-CYBMUJFWSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043432790 673606592 /nfs/dbraw/zinc/60/65/92/673606592.db2.gz LFKQBODPOSAOGW-CYBMUJFWSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043432791 673606604 /nfs/dbraw/zinc/60/66/04/673606604.db2.gz LFKQBODPOSAOGW-ZDUSSCGKSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043432791 673606602 /nfs/dbraw/zinc/60/66/02/673606602.db2.gz LFKQBODPOSAOGW-ZDUSSCGKSA-N 2 1 326.441 -1.032 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043432791 673606601 /nfs/dbraw/zinc/60/66/01/673606601.db2.gz LFKQBODPOSAOGW-ZDUSSCGKSA-N 2 1 326.441 -1.032 20 0 EAADMP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463725 673610186 /nfs/dbraw/zinc/61/01/86/673610186.db2.gz QCKUJSPFVMEKDG-KBPBESRZSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463727 673610335 /nfs/dbraw/zinc/61/03/35/673610335.db2.gz QCKUJSPFVMEKDG-KGLIPLIRSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463729 673610273 /nfs/dbraw/zinc/61/02/73/673610273.db2.gz QCKUJSPFVMEKDG-UONOGXRCSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001043463731 673610246 /nfs/dbraw/zinc/61/02/46/673610246.db2.gz QCKUJSPFVMEKDG-ZIAGYGMSSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001043671804 673638683 /nfs/dbraw/zinc/63/86/83/673638683.db2.gz YBYDKVKEZRWHOJ-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001043671804 673638682 /nfs/dbraw/zinc/63/86/82/673638682.db2.gz YBYDKVKEZRWHOJ-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001043677429 673639173 /nfs/dbraw/zinc/63/91/73/673639173.db2.gz JQSYCFGYWHWJLP-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001043677429 673639172 /nfs/dbraw/zinc/63/91/72/673639172.db2.gz JQSYCFGYWHWJLP-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001043677430 673639144 /nfs/dbraw/zinc/63/91/44/673639144.db2.gz JQSYCFGYWHWJLP-OLZOCXBDSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001043677430 673639142 /nfs/dbraw/zinc/63/91/42/673639142.db2.gz JQSYCFGYWHWJLP-OLZOCXBDSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001043677813 673639436 /nfs/dbraw/zinc/63/94/36/673639436.db2.gz MRMAJULCAKNOSN-CHWSQXEVSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001043677816 673639483 /nfs/dbraw/zinc/63/94/83/673639483.db2.gz MRMAJULCAKNOSN-QWHCGFSZSA-N 2 1 326.441 -1.032 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043709564 673643645 /nfs/dbraw/zinc/64/36/45/673643645.db2.gz ZNHHLMNHBGFVBW-AWEZNQCLSA-N 2 1 338.452 -1.031 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001043709565 673643599 /nfs/dbraw/zinc/64/35/99/673643599.db2.gz ZNHHLMNHBGFVBW-CQSZACIVSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001043891406 673682443 /nfs/dbraw/zinc/68/24/43/673682443.db2.gz MJKPDBAFVSSQOS-UHFFFAOYSA-N 2 1 342.440 -1.650 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043909662 673685223 /nfs/dbraw/zinc/68/52/23/673685223.db2.gz LDFFZKLUQLLXRT-UHFFFAOYSA-N 2 1 335.408 -1.023 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043910110 673685900 /nfs/dbraw/zinc/68/59/00/673685900.db2.gz PAXOKVIPXANFJY-CYBMUJFWSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001043910110 673685898 /nfs/dbraw/zinc/68/58/98/673685898.db2.gz PAXOKVIPXANFJY-CYBMUJFWSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043910892 673685910 /nfs/dbraw/zinc/68/59/10/673685910.db2.gz WXDYHTZXFKBMCI-UHFFFAOYSA-N 2 1 347.419 -1.023 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043911119 673686246 /nfs/dbraw/zinc/68/62/46/673686246.db2.gz ZHSHMZDAQHLGOE-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043911119 673686244 /nfs/dbraw/zinc/68/62/44/673686244.db2.gz ZHSHMZDAQHLGOE-CYBMUJFWSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043911120 673686109 /nfs/dbraw/zinc/68/61/09/673686109.db2.gz ZHSHMZDAQHLGOE-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043911120 673686106 /nfs/dbraw/zinc/68/61/06/673686106.db2.gz ZHSHMZDAQHLGOE-ZDUSSCGKSA-N 2 1 335.408 -1.167 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043912742 673686167 /nfs/dbraw/zinc/68/61/67/673686167.db2.gz PAXOKVIPXANFJY-ZDUSSCGKSA-N 2 1 335.408 -1.025 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001043912742 673686165 /nfs/dbraw/zinc/68/61/65/673686165.db2.gz PAXOKVIPXANFJY-ZDUSSCGKSA-N 2 1 335.408 -1.025 20 0 EAADMP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044000311 673697861 /nfs/dbraw/zinc/69/78/61/673697861.db2.gz FYTCISBKYBCOCW-CYBMUJFWSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044000312 673697695 /nfs/dbraw/zinc/69/76/95/673697695.db2.gz FYTCISBKYBCOCW-ZDUSSCGKSA-N 2 1 342.440 -1.794 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000894 673698092 /nfs/dbraw/zinc/69/80/92/673698092.db2.gz KPBKRGKJROLBCX-UHFFFAOYSA-N 2 1 344.456 -1.406 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044000903 673698186 /nfs/dbraw/zinc/69/81/86/673698186.db2.gz KSYICBLZCHYKGG-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001044001010 673698129 /nfs/dbraw/zinc/69/81/29/673698129.db2.gz MCBOVDQITNPIFT-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001044001012 673698050 /nfs/dbraw/zinc/69/80/50/673698050.db2.gz MCBOVDQITNPIFT-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC(O)(CNC(=O)COCC[NH+](C)C)C1 ZINC001044001653 673698341 /nfs/dbraw/zinc/69/83/41/673698341.db2.gz RADGPWSVOKTWFB-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044011359 673700106 /nfs/dbraw/zinc/70/01/06/673700106.db2.gz OGYSQGSHTMAXBQ-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044011360 673700011 /nfs/dbraw/zinc/70/00/11/673700011.db2.gz OGYSQGSHTMAXBQ-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012023 673700422 /nfs/dbraw/zinc/70/04/22/673700422.db2.gz ZIMTYZUDSVOUAT-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012023 673700419 /nfs/dbraw/zinc/70/04/19/673700419.db2.gz ZIMTYZUDSVOUAT-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012023 673700415 /nfs/dbraw/zinc/70/04/15/673700415.db2.gz ZIMTYZUDSVOUAT-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012024 673700336 /nfs/dbraw/zinc/70/03/36/673700336.db2.gz ZIMTYZUDSVOUAT-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012024 673700334 /nfs/dbraw/zinc/70/03/34/673700334.db2.gz ZIMTYZUDSVOUAT-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012024 673700332 /nfs/dbraw/zinc/70/03/32/673700332.db2.gz ZIMTYZUDSVOUAT-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012025 673700317 /nfs/dbraw/zinc/70/03/17/673700317.db2.gz ZIMTYZUDSVOUAT-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012025 673700316 /nfs/dbraw/zinc/70/03/16/673700316.db2.gz ZIMTYZUDSVOUAT-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012025 673700314 /nfs/dbraw/zinc/70/03/14/673700314.db2.gz ZIMTYZUDSVOUAT-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001044012030 673700497 /nfs/dbraw/zinc/70/04/97/673700497.db2.gz ZIMTYZUDSVOUAT-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012030 673700492 /nfs/dbraw/zinc/70/04/92/673700492.db2.gz ZIMTYZUDSVOUAT-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001044012030 673700488 /nfs/dbraw/zinc/70/04/88/673700488.db2.gz ZIMTYZUDSVOUAT-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044024069 673701596 /nfs/dbraw/zinc/70/15/96/673701596.db2.gz YVPOQZPWQLOZAD-CYBMUJFWSA-N 2 1 336.436 -1.134 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044024070 673701908 /nfs/dbraw/zinc/70/19/08/673701908.db2.gz YVPOQZPWQLOZAD-ZDUSSCGKSA-N 2 1 336.436 -1.134 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001044026713 673701970 /nfs/dbraw/zinc/70/19/70/673701970.db2.gz CTMGOIBHZOKPAV-CYBMUJFWSA-N 2 1 336.436 -1.277 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001044026714 673701935 /nfs/dbraw/zinc/70/19/35/673701935.db2.gz CTMGOIBHZOKPAV-ZDUSSCGKSA-N 2 1 336.436 -1.277 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044028005 673702431 /nfs/dbraw/zinc/70/24/31/673702431.db2.gz YCNBHERBASIYGL-UHFFFAOYSA-N 2 1 347.419 -1.023 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044028230 673702346 /nfs/dbraw/zinc/70/23/46/673702346.db2.gz ZMCYOENPSIBBPN-UHFFFAOYSA-N 2 1 347.419 -1.023 20 0 EAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001044041435 673703538 /nfs/dbraw/zinc/70/35/38/673703538.db2.gz JQSYCFGYWHWJLP-QWHCGFSZSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001044041435 673703537 /nfs/dbraw/zinc/70/35/37/673703537.db2.gz JQSYCFGYWHWJLP-QWHCGFSZSA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)[NH+](C)C ZINC001044041437 673703713 /nfs/dbraw/zinc/70/37/13/673703713.db2.gz JQSYCFGYWHWJLP-STQMWFEESA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)[NH+](C)C ZINC001044041437 673703711 /nfs/dbraw/zinc/70/37/11/673703711.db2.gz JQSYCFGYWHWJLP-STQMWFEESA-N 2 1 342.440 -1.653 20 0 EAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001044044244 673704405 /nfs/dbraw/zinc/70/44/05/673704405.db2.gz MRMAJULCAKNOSN-OLZOCXBDSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)[NH+](C)C ZINC001044044245 673704472 /nfs/dbraw/zinc/70/44/72/673704472.db2.gz MRMAJULCAKNOSN-STQMWFEESA-N 2 1 326.441 -1.032 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001044298980 673727422 /nfs/dbraw/zinc/72/74/22/673727422.db2.gz UITINROJGCFXGR-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001044301992 673727261 /nfs/dbraw/zinc/72/72/61/673727261.db2.gz DGLWNHGAHKAHOG-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001044301992 673727260 /nfs/dbraw/zinc/72/72/60/673727260.db2.gz DGLWNHGAHKAHOG-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001044301992 673727259 /nfs/dbraw/zinc/72/72/59/673727259.db2.gz DGLWNHGAHKAHOG-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001044301992 673727258 /nfs/dbraw/zinc/72/72/58/673727258.db2.gz DGLWNHGAHKAHOG-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001044301994 673727139 /nfs/dbraw/zinc/72/71/39/673727139.db2.gz DGLWNHGAHKAHOG-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001044301994 673727138 /nfs/dbraw/zinc/72/71/38/673727138.db2.gz DGLWNHGAHKAHOG-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001044301994 673727136 /nfs/dbraw/zinc/72/71/36/673727136.db2.gz DGLWNHGAHKAHOG-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001044301994 673727133 /nfs/dbraw/zinc/72/71/33/673727133.db2.gz DGLWNHGAHKAHOG-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044302520 673727807 /nfs/dbraw/zinc/72/78/07/673727807.db2.gz LDBCLPFGPAJYBZ-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044302520 673727806 /nfs/dbraw/zinc/72/78/06/673727806.db2.gz LDBCLPFGPAJYBZ-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001044302520 673727805 /nfs/dbraw/zinc/72/78/05/673727805.db2.gz LDBCLPFGPAJYBZ-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044302521 673727795 /nfs/dbraw/zinc/72/77/95/673727795.db2.gz LDBCLPFGPAJYBZ-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044302521 673727794 /nfs/dbraw/zinc/72/77/94/673727794.db2.gz LDBCLPFGPAJYBZ-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001044302521 673727793 /nfs/dbraw/zinc/72/77/93/673727793.db2.gz LDBCLPFGPAJYBZ-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045392028 673811944 /nfs/dbraw/zinc/81/19/44/673811944.db2.gz NLQRQTKNRXIWOX-CYBMUJFWSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045392032 673812096 /nfs/dbraw/zinc/81/20/96/673812096.db2.gz NLQRQTKNRXIWOX-ZDUSSCGKSA-N 2 1 338.452 -1.031 20 0 EAADMP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001045412423 673814127 /nfs/dbraw/zinc/81/41/27/673814127.db2.gz BUKSKRMOUULKSJ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001045412423 673814123 /nfs/dbraw/zinc/81/41/23/673814123.db2.gz BUKSKRMOUULKSJ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001045412429 673814099 /nfs/dbraw/zinc/81/40/99/673814099.db2.gz BUKSKRMOUULKSJ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001045412429 673814094 /nfs/dbraw/zinc/81/40/94/673814094.db2.gz BUKSKRMOUULKSJ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045418233 673814545 /nfs/dbraw/zinc/81/45/45/673814545.db2.gz SMOVIQHTFJLXNO-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001045418234 673814535 /nfs/dbraw/zinc/81/45/35/673814535.db2.gz SMOVIQHTFJLXNO-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001045710123 673839806 /nfs/dbraw/zinc/83/98/06/673839806.db2.gz CCVCYVYUZHZMBX-GFCCVEGCSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001045710123 673839803 /nfs/dbraw/zinc/83/98/03/673839803.db2.gz CCVCYVYUZHZMBX-GFCCVEGCSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001045710124 673839770 /nfs/dbraw/zinc/83/97/70/673839770.db2.gz CCVCYVYUZHZMBX-LBPRGKRZSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001045710124 673839768 /nfs/dbraw/zinc/83/97/68/673839768.db2.gz CCVCYVYUZHZMBX-LBPRGKRZSA-N 2 1 328.413 -2.042 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001045713336 673839854 /nfs/dbraw/zinc/83/98/54/673839854.db2.gz CHQVCIOZXKCAKG-UHFFFAOYSA-N 2 1 342.440 -1.650 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001045713990 673840030 /nfs/dbraw/zinc/84/00/30/673840030.db2.gz UROBFLDAYLAXHK-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001045713991 673840051 /nfs/dbraw/zinc/84/00/51/673840051.db2.gz UROBFLDAYLAXHK-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC[N@H+]1C ZINC001045716751 673840295 /nfs/dbraw/zinc/84/02/95/673840295.db2.gz NMRAYGCCSQQTTL-CHWSQXEVSA-N 2 1 326.441 -1.032 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045717272 673840635 /nfs/dbraw/zinc/84/06/35/673840635.db2.gz YLJJAQPLBAFGBC-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045717272 673840633 /nfs/dbraw/zinc/84/06/33/673840633.db2.gz YLJJAQPLBAFGBC-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045717274 673840679 /nfs/dbraw/zinc/84/06/79/673840679.db2.gz YLJJAQPLBAFGBC-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045717274 673840675 /nfs/dbraw/zinc/84/06/75/673840675.db2.gz YLJJAQPLBAFGBC-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719783 673840624 /nfs/dbraw/zinc/84/06/24/673840624.db2.gz DKXXAPUBTAIGNZ-CHWSQXEVSA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719784 673840690 /nfs/dbraw/zinc/84/06/90/673840690.db2.gz DKXXAPUBTAIGNZ-OLZOCXBDSA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719785 673840617 /nfs/dbraw/zinc/84/06/17/673840617.db2.gz DKXXAPUBTAIGNZ-QWHCGFSZSA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045719786 673840576 /nfs/dbraw/zinc/84/05/76/673840576.db2.gz DKXXAPUBTAIGNZ-STQMWFEESA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045720117 673840655 /nfs/dbraw/zinc/84/06/55/673840655.db2.gz MVEGQLVKAZPBPC-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001045720119 673840933 /nfs/dbraw/zinc/84/09/33/673840933.db2.gz MVEGQLVKAZPBPC-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001045720490 669476294 /nfs/dbraw/zinc/47/62/94/669476294.db2.gz SEGBQZBKIMJQNM-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)O1 ZINC001045720490 669476292 /nfs/dbraw/zinc/47/62/92/669476292.db2.gz SEGBQZBKIMJQNM-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046014394 673847685 /nfs/dbraw/zinc/84/76/85/673847685.db2.gz WXOFVDZMTSZQKP-CABCVRRESA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046014394 673847683 /nfs/dbraw/zinc/84/76/83/673847683.db2.gz WXOFVDZMTSZQKP-CABCVRRESA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014394 673847681 /nfs/dbraw/zinc/84/76/81/673847681.db2.gz WXOFVDZMTSZQKP-CABCVRRESA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014394 673847680 /nfs/dbraw/zinc/84/76/80/673847680.db2.gz WXOFVDZMTSZQKP-CABCVRRESA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046014395 673848189 /nfs/dbraw/zinc/84/81/89/673848189.db2.gz WXOFVDZMTSZQKP-GJZGRUSLSA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046014395 673848186 /nfs/dbraw/zinc/84/81/86/673848186.db2.gz WXOFVDZMTSZQKP-GJZGRUSLSA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014395 673848182 /nfs/dbraw/zinc/84/81/82/673848182.db2.gz WXOFVDZMTSZQKP-GJZGRUSLSA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014395 673848178 /nfs/dbraw/zinc/84/81/78/673848178.db2.gz WXOFVDZMTSZQKP-GJZGRUSLSA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046014396 673847666 /nfs/dbraw/zinc/84/76/66/673847666.db2.gz WXOFVDZMTSZQKP-HUUCEWRRSA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046014396 673847665 /nfs/dbraw/zinc/84/76/65/673847665.db2.gz WXOFVDZMTSZQKP-HUUCEWRRSA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014396 673847664 /nfs/dbraw/zinc/84/76/64/673847664.db2.gz WXOFVDZMTSZQKP-HUUCEWRRSA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014396 673847663 /nfs/dbraw/zinc/84/76/63/673847663.db2.gz WXOFVDZMTSZQKP-HUUCEWRRSA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046014397 673848006 /nfs/dbraw/zinc/84/80/06/673848006.db2.gz WXOFVDZMTSZQKP-LSDHHAIUSA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046014397 673848005 /nfs/dbraw/zinc/84/80/05/673848005.db2.gz WXOFVDZMTSZQKP-LSDHHAIUSA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014397 673848003 /nfs/dbraw/zinc/84/80/03/673848003.db2.gz WXOFVDZMTSZQKP-LSDHHAIUSA-N 2 1 326.441 -1.472 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046014397 673848001 /nfs/dbraw/zinc/84/80/01/673848001.db2.gz WXOFVDZMTSZQKP-LSDHHAIUSA-N 2 1 326.441 -1.472 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046014525 673847831 /nfs/dbraw/zinc/84/78/31/673847831.db2.gz ZACMFOGVQNYGIH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046014525 673847826 /nfs/dbraw/zinc/84/78/26/673847826.db2.gz ZACMFOGVQNYGIH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014525 673847820 /nfs/dbraw/zinc/84/78/20/673847820.db2.gz ZACMFOGVQNYGIH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014525 673847817 /nfs/dbraw/zinc/84/78/17/673847817.db2.gz ZACMFOGVQNYGIH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046014526 673847801 /nfs/dbraw/zinc/84/78/01/673847801.db2.gz ZACMFOGVQNYGIH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046014526 673847799 /nfs/dbraw/zinc/84/77/99/673847799.db2.gz ZACMFOGVQNYGIH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014526 673847793 /nfs/dbraw/zinc/84/77/93/673847793.db2.gz ZACMFOGVQNYGIH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014526 673847790 /nfs/dbraw/zinc/84/77/90/673847790.db2.gz ZACMFOGVQNYGIH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046014527 673847967 /nfs/dbraw/zinc/84/79/67/673847967.db2.gz ZACMFOGVQNYGIH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046014527 673847966 /nfs/dbraw/zinc/84/79/66/673847966.db2.gz ZACMFOGVQNYGIH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014527 673847963 /nfs/dbraw/zinc/84/79/63/673847963.db2.gz ZACMFOGVQNYGIH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014527 673847960 /nfs/dbraw/zinc/84/79/60/673847960.db2.gz ZACMFOGVQNYGIH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCCO)C3)CC2)C1 ZINC001046014528 673848247 /nfs/dbraw/zinc/84/82/47/673848247.db2.gz ZACMFOGVQNYGIH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)C1 ZINC001046014528 673848243 /nfs/dbraw/zinc/84/82/43/673848243.db2.gz ZACMFOGVQNYGIH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014528 673848240 /nfs/dbraw/zinc/84/82/40/673848240.db2.gz ZACMFOGVQNYGIH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046014528 673848236 /nfs/dbraw/zinc/84/82/36/673848236.db2.gz ZACMFOGVQNYGIH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)O1 ZINC001046039478 673851847 /nfs/dbraw/zinc/85/18/47/673851847.db2.gz ZLVOZMSBZNDKFF-BZUAXINKSA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)O1 ZINC001046039478 673851845 /nfs/dbraw/zinc/85/18/45/673851845.db2.gz ZLVOZMSBZNDKFF-BZUAXINKSA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001046039478 673851844 /nfs/dbraw/zinc/85/18/44/673851844.db2.gz ZLVOZMSBZNDKFF-BZUAXINKSA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001046039478 673851842 /nfs/dbraw/zinc/85/18/42/673851842.db2.gz ZLVOZMSBZNDKFF-BZUAXINKSA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)O1 ZINC001046039479 673851763 /nfs/dbraw/zinc/85/17/63/673851763.db2.gz ZLVOZMSBZNDKFF-OWCLPIDISA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)O1 ZINC001046039479 673851757 /nfs/dbraw/zinc/85/17/57/673851757.db2.gz ZLVOZMSBZNDKFF-OWCLPIDISA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001046039479 673851753 /nfs/dbraw/zinc/85/17/53/673851753.db2.gz ZLVOZMSBZNDKFF-OWCLPIDISA-N 2 1 340.468 -1.084 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)O1 ZINC001046039479 673851748 /nfs/dbraw/zinc/85/17/48/673851748.db2.gz ZLVOZMSBZNDKFF-OWCLPIDISA-N 2 1 340.468 -1.084 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046071680 673856802 /nfs/dbraw/zinc/85/68/02/673856802.db2.gz MCVJTHDNOCVEFI-INIZCTEOSA-N 2 1 340.468 -1.081 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046071680 673856799 /nfs/dbraw/zinc/85/67/99/673856799.db2.gz MCVJTHDNOCVEFI-INIZCTEOSA-N 2 1 340.468 -1.081 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046071681 673856741 /nfs/dbraw/zinc/85/67/41/673856741.db2.gz MCVJTHDNOCVEFI-MRXNPFEDSA-N 2 1 340.468 -1.081 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046071681 673856739 /nfs/dbraw/zinc/85/67/39/673856739.db2.gz MCVJTHDNOCVEFI-MRXNPFEDSA-N 2 1 340.468 -1.081 20 0 EAADMP NC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076804 673858053 /nfs/dbraw/zinc/85/80/53/673858053.db2.gz QBVNRVULSGWHPB-AWEZNQCLSA-N 2 1 335.452 -1.214 20 0 EAADMP NC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076804 673858050 /nfs/dbraw/zinc/85/80/50/673858050.db2.gz QBVNRVULSGWHPB-AWEZNQCLSA-N 2 1 335.452 -1.214 20 0 EAADMP NC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076805 673858008 /nfs/dbraw/zinc/85/80/08/673858008.db2.gz QBVNRVULSGWHPB-CQSZACIVSA-N 2 1 335.452 -1.214 20 0 EAADMP NC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076805 673858005 /nfs/dbraw/zinc/85/80/05/673858005.db2.gz QBVNRVULSGWHPB-CQSZACIVSA-N 2 1 335.452 -1.214 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081549 673858534 /nfs/dbraw/zinc/85/85/34/673858534.db2.gz HICKNBGDTSAHOU-CABCVRRESA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081549 673858532 /nfs/dbraw/zinc/85/85/32/673858532.db2.gz HICKNBGDTSAHOU-CABCVRRESA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081549 673858529 /nfs/dbraw/zinc/85/85/29/673858529.db2.gz HICKNBGDTSAHOU-CABCVRRESA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081550 673858612 /nfs/dbraw/zinc/85/86/12/673858612.db2.gz HICKNBGDTSAHOU-GJZGRUSLSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081550 673858610 /nfs/dbraw/zinc/85/86/10/673858610.db2.gz HICKNBGDTSAHOU-GJZGRUSLSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081550 673858608 /nfs/dbraw/zinc/85/86/08/673858608.db2.gz HICKNBGDTSAHOU-GJZGRUSLSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081639 673858371 /nfs/dbraw/zinc/85/83/71/673858371.db2.gz HICKNBGDTSAHOU-HUUCEWRRSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081639 673858369 /nfs/dbraw/zinc/85/83/69/673858369.db2.gz HICKNBGDTSAHOU-HUUCEWRRSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081639 673858364 /nfs/dbraw/zinc/85/83/64/673858364.db2.gz HICKNBGDTSAHOU-HUUCEWRRSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001046081640 673858557 /nfs/dbraw/zinc/85/85/57/673858557.db2.gz HICKNBGDTSAHOU-LSDHHAIUSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046081640 673858556 /nfs/dbraw/zinc/85/85/56/673858556.db2.gz HICKNBGDTSAHOU-LSDHHAIUSA-N 2 1 337.468 -1.097 20 0 EAADMP CNC(=O)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046081640 673858555 /nfs/dbraw/zinc/85/85/55/673858555.db2.gz HICKNBGDTSAHOU-LSDHHAIUSA-N 2 1 337.468 -1.097 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046086204 673859595 /nfs/dbraw/zinc/85/95/95/673859595.db2.gz NDLVMIZEDWQNFH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086204 673859593 /nfs/dbraw/zinc/85/95/93/673859593.db2.gz NDLVMIZEDWQNFH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086204 673859589 /nfs/dbraw/zinc/85/95/89/673859589.db2.gz NDLVMIZEDWQNFH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086204 673859588 /nfs/dbraw/zinc/85/95/88/673859588.db2.gz NDLVMIZEDWQNFH-CVEARBPZSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046086206 673859515 /nfs/dbraw/zinc/85/95/15/673859515.db2.gz NDLVMIZEDWQNFH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086206 673859512 /nfs/dbraw/zinc/85/95/12/673859512.db2.gz NDLVMIZEDWQNFH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086206 673859511 /nfs/dbraw/zinc/85/95/11/673859511.db2.gz NDLVMIZEDWQNFH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086206 673859508 /nfs/dbraw/zinc/85/95/08/673859508.db2.gz NDLVMIZEDWQNFH-HOTGVXAUSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046086207 673859558 /nfs/dbraw/zinc/85/95/58/673859558.db2.gz NDLVMIZEDWQNFH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086207 673859556 /nfs/dbraw/zinc/85/95/56/673859556.db2.gz NDLVMIZEDWQNFH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086207 673859554 /nfs/dbraw/zinc/85/95/54/673859554.db2.gz NDLVMIZEDWQNFH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086207 673859551 /nfs/dbraw/zinc/85/95/51/673859551.db2.gz NDLVMIZEDWQNFH-HZPDHXFCSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@@H+](CCO)C3)CC2)C1 ZINC001046086209 673859383 /nfs/dbraw/zinc/85/93/83/673859383.db2.gz NDLVMIZEDWQNFH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)C1 ZINC001046086209 673859381 /nfs/dbraw/zinc/85/93/81/673859381.db2.gz NDLVMIZEDWQNFH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086209 673859379 /nfs/dbraw/zinc/85/93/79/673859379.db2.gz NDLVMIZEDWQNFH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046086209 673859378 /nfs/dbraw/zinc/85/93/78/673859378.db2.gz NDLVMIZEDWQNFH-JKSUJKDBSA-N 2 1 340.468 -1.082 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)COCC[NH+](C)C)C1 ZINC001046525430 673876338 /nfs/dbraw/zinc/87/63/38/673876338.db2.gz IWFVMIZZVXMDRV-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046531689 673876452 /nfs/dbraw/zinc/87/64/52/673876452.db2.gz UKIKWGGNTVMHHI-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046531689 673876450 /nfs/dbraw/zinc/87/64/50/673876450.db2.gz UKIKWGGNTVMHHI-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046531689 673876446 /nfs/dbraw/zinc/87/64/46/673876446.db2.gz UKIKWGGNTVMHHI-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046531787 673876711 /nfs/dbraw/zinc/87/67/11/673876711.db2.gz UKIKWGGNTVMHHI-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046531787 673876710 /nfs/dbraw/zinc/87/67/10/673876710.db2.gz UKIKWGGNTVMHHI-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046531787 673876709 /nfs/dbraw/zinc/87/67/09/673876709.db2.gz UKIKWGGNTVMHHI-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046532068 673876979 /nfs/dbraw/zinc/87/69/79/673876979.db2.gz YPPJWOADCBGNOQ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046532068 673876978 /nfs/dbraw/zinc/87/69/78/673876978.db2.gz YPPJWOADCBGNOQ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046532068 673876977 /nfs/dbraw/zinc/87/69/77/673876977.db2.gz YPPJWOADCBGNOQ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046532068 673876976 /nfs/dbraw/zinc/87/69/76/673876976.db2.gz YPPJWOADCBGNOQ-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046532070 673877185 /nfs/dbraw/zinc/87/71/85/673877185.db2.gz YPPJWOADCBGNOQ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046532070 673877182 /nfs/dbraw/zinc/87/71/82/673877182.db2.gz YPPJWOADCBGNOQ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046532070 673877175 /nfs/dbraw/zinc/87/71/75/673877175.db2.gz YPPJWOADCBGNOQ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046532070 673877172 /nfs/dbraw/zinc/87/71/72/673877172.db2.gz YPPJWOADCBGNOQ-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001046676040 673889402 /nfs/dbraw/zinc/88/94/02/673889402.db2.gz AOVNMEGNXAHLOA-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001046676042 673889444 /nfs/dbraw/zinc/88/94/44/673889444.db2.gz AOVNMEGNXAHLOA-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001046685943 673891490 /nfs/dbraw/zinc/89/14/90/673891490.db2.gz XYFGGHBWPRSWPY-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001046685943 673891485 /nfs/dbraw/zinc/89/14/85/673891485.db2.gz XYFGGHBWPRSWPY-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001046685943 673891482 /nfs/dbraw/zinc/89/14/82/673891482.db2.gz XYFGGHBWPRSWPY-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001046685944 673891419 /nfs/dbraw/zinc/89/14/19/673891419.db2.gz XYFGGHBWPRSWPY-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001046685944 673891417 /nfs/dbraw/zinc/89/14/17/673891417.db2.gz XYFGGHBWPRSWPY-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001046685944 673891415 /nfs/dbraw/zinc/89/14/15/673891415.db2.gz XYFGGHBWPRSWPY-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001046685945 673891509 /nfs/dbraw/zinc/89/15/09/673891509.db2.gz XYFGGHBWPRSWPY-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001046685945 673891507 /nfs/dbraw/zinc/89/15/07/673891507.db2.gz XYFGGHBWPRSWPY-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001046685945 673891506 /nfs/dbraw/zinc/89/15/06/673891506.db2.gz XYFGGHBWPRSWPY-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001046685946 673891352 /nfs/dbraw/zinc/89/13/52/673891352.db2.gz XYFGGHBWPRSWPY-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001046685946 673891347 /nfs/dbraw/zinc/89/13/47/673891347.db2.gz XYFGGHBWPRSWPY-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001046685946 673891344 /nfs/dbraw/zinc/89/13/44/673891344.db2.gz XYFGGHBWPRSWPY-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691401 673892226 /nfs/dbraw/zinc/89/22/26/673892226.db2.gz IKUHZZMZLAZOPB-KBPBESRZSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691403 673892119 /nfs/dbraw/zinc/89/21/19/673892119.db2.gz IKUHZZMZLAZOPB-KGLIPLIRSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691405 673892049 /nfs/dbraw/zinc/89/20/49/673892049.db2.gz IKUHZZMZLAZOPB-UONOGXRCSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046691407 673891956 /nfs/dbraw/zinc/89/19/56/673891956.db2.gz IKUHZZMZLAZOPB-ZIAGYGMSSA-N 2 1 338.452 -1.031 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691705 673892246 /nfs/dbraw/zinc/89/22/46/673892246.db2.gz KMWZWSRMVCYQLA-CHWSQXEVSA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691706 673892019 /nfs/dbraw/zinc/89/20/19/673892019.db2.gz KMWZWSRMVCYQLA-OLZOCXBDSA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691707 673892152 /nfs/dbraw/zinc/89/21/52/673892152.db2.gz KMWZWSRMVCYQLA-QWHCGFSZSA-N 2 1 326.441 -1.175 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046691708 673892421 /nfs/dbraw/zinc/89/24/21/673892421.db2.gz KMWZWSRMVCYQLA-STQMWFEESA-N 2 1 326.441 -1.175 20 0 EAADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047384261 673942349 /nfs/dbraw/zinc/94/23/49/673942349.db2.gz PLNIVEBXSIYSDJ-GJZGRUSLSA-N 2 1 339.440 -1.056 20 0 EAADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047384470 673942317 /nfs/dbraw/zinc/94/23/17/673942317.db2.gz SKCKOBQIBGMQJB-KBPBESRZSA-N 2 1 325.413 -1.446 20 0 EAADMP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047384470 673942316 /nfs/dbraw/zinc/94/23/16/673942316.db2.gz SKCKOBQIBGMQJB-KBPBESRZSA-N 2 1 325.413 -1.446 20 0 EAADMP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384510 673942309 /nfs/dbraw/zinc/94/23/09/673942309.db2.gz VUTCGDYYJVEZGI-QEJZJMRPSA-N 2 1 339.440 -1.057 20 0 EAADMP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384511 673942270 /nfs/dbraw/zinc/94/22/70/673942270.db2.gz VUTCGDYYJVEZGI-SNPRPXQTSA-N 2 1 339.440 -1.057 20 0 EAADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047463697 673953476 /nfs/dbraw/zinc/95/34/76/673953476.db2.gz NOJMRZCRLWHLDE-AUUXXJPVSA-N 2 1 339.436 -1.265 20 0 EAADMP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047463697 673953473 /nfs/dbraw/zinc/95/34/73/673953473.db2.gz NOJMRZCRLWHLDE-AUUXXJPVSA-N 2 1 339.436 -1.265 20 0 EAADMP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047463697 673953470 /nfs/dbraw/zinc/95/34/70/673953470.db2.gz NOJMRZCRLWHLDE-AUUXXJPVSA-N 2 1 339.436 -1.265 20 0 EAADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047463698 673953404 /nfs/dbraw/zinc/95/34/04/673953404.db2.gz NOJMRZCRLWHLDE-WHJSIAKGSA-N 2 1 339.436 -1.265 20 0 EAADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047463698 673953401 /nfs/dbraw/zinc/95/34/01/673953401.db2.gz NOJMRZCRLWHLDE-WHJSIAKGSA-N 2 1 339.436 -1.265 20 0 EAADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047463698 673953398 /nfs/dbraw/zinc/95/33/98/673953398.db2.gz NOJMRZCRLWHLDE-WHJSIAKGSA-N 2 1 339.436 -1.265 20 0 EAADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463803 673953220 /nfs/dbraw/zinc/95/32/20/673953220.db2.gz SZJQEOQBKRTMEY-AUUXXJPVSA-N 2 1 339.436 -1.001 20 0 EAADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463803 673953218 /nfs/dbraw/zinc/95/32/18/673953218.db2.gz SZJQEOQBKRTMEY-AUUXXJPVSA-N 2 1 339.436 -1.001 20 0 EAADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463803 673953215 /nfs/dbraw/zinc/95/32/15/673953215.db2.gz SZJQEOQBKRTMEY-AUUXXJPVSA-N 2 1 339.436 -1.001 20 0 EAADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463804 673953170 /nfs/dbraw/zinc/95/31/70/673953170.db2.gz SZJQEOQBKRTMEY-WHJSIAKGSA-N 2 1 339.436 -1.001 20 0 EAADMP COCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463804 673953166 /nfs/dbraw/zinc/95/31/66/673953166.db2.gz SZJQEOQBKRTMEY-WHJSIAKGSA-N 2 1 339.436 -1.001 20 0 EAADMP COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463804 673953163 /nfs/dbraw/zinc/95/31/63/673953163.db2.gz SZJQEOQBKRTMEY-WHJSIAKGSA-N 2 1 339.436 -1.001 20 0 EAADMP CN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047463919 673953381 /nfs/dbraw/zinc/95/33/81/673953381.db2.gz WBENANZFSWRIFD-GARWAMKOSA-N 2 1 325.409 -1.655 20 0 EAADMP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047463919 673953378 /nfs/dbraw/zinc/95/33/78/673953378.db2.gz WBENANZFSWRIFD-GARWAMKOSA-N 2 1 325.409 -1.655 20 0 EAADMP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047463919 673953375 /nfs/dbraw/zinc/95/33/75/673953375.db2.gz WBENANZFSWRIFD-GARWAMKOSA-N 2 1 325.409 -1.655 20 0 EAADMP CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047463920 673953776 /nfs/dbraw/zinc/95/37/76/673953776.db2.gz WBENANZFSWRIFD-JGNFHWBKSA-N 2 1 325.409 -1.655 20 0 EAADMP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047463920 673953772 /nfs/dbraw/zinc/95/37/72/673953772.db2.gz WBENANZFSWRIFD-JGNFHWBKSA-N 2 1 325.409 -1.655 20 0 EAADMP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047463920 673953769 /nfs/dbraw/zinc/95/37/69/673953769.db2.gz WBENANZFSWRIFD-JGNFHWBKSA-N 2 1 325.409 -1.655 20 0 EAADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047499620 673959138 /nfs/dbraw/zinc/95/91/38/673959138.db2.gz OQVDAEKTNYBOGJ-KKUMJFAQSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001047499620 673959137 /nfs/dbraw/zinc/95/91/37/673959137.db2.gz OQVDAEKTNYBOGJ-KKUMJFAQSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047499620 673959136 /nfs/dbraw/zinc/95/91/36/673959136.db2.gz OQVDAEKTNYBOGJ-KKUMJFAQSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047499620 673959135 /nfs/dbraw/zinc/95/91/35/673959135.db2.gz OQVDAEKTNYBOGJ-KKUMJFAQSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)C1 ZINC001047499622 673959106 /nfs/dbraw/zinc/95/91/06/673959106.db2.gz OQVDAEKTNYBOGJ-SOUVJXGZSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)C1 ZINC001047499622 673959105 /nfs/dbraw/zinc/95/91/05/673959105.db2.gz OQVDAEKTNYBOGJ-SOUVJXGZSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047499622 673959104 /nfs/dbraw/zinc/95/91/04/673959104.db2.gz OQVDAEKTNYBOGJ-SOUVJXGZSA-N 2 1 329.441 -1.019 20 0 EAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047499622 673959103 /nfs/dbraw/zinc/95/91/03/673959103.db2.gz OQVDAEKTNYBOGJ-SOUVJXGZSA-N 2 1 329.441 -1.019 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527280 673962708 /nfs/dbraw/zinc/96/27/08/673962708.db2.gz AURSQGXZJYSXKX-IHRRRGAJSA-N 2 1 326.441 -1.080 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CN(CC(=O)N(C)C)C[C@@H]2O)C1 ZINC001047527281 673962609 /nfs/dbraw/zinc/96/26/09/673962609.db2.gz AURSQGXZJYSXKX-RDBSUJKOSA-N 2 1 326.441 -1.080 20 0 EAADMP C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559574 673965413 /nfs/dbraw/zinc/96/54/13/673965413.db2.gz YFWSPYYMSZHOQC-QEJZJMRPSA-N 2 1 339.440 -1.057 20 0 EAADMP C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047559576 673965330 /nfs/dbraw/zinc/96/53/30/673965330.db2.gz YFWSPYYMSZHOQC-SNPRPXQTSA-N 2 1 339.440 -1.057 20 0 EAADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047559595 673965355 /nfs/dbraw/zinc/96/53/55/673965355.db2.gz YSBMIGALZJBURT-GJZGRUSLSA-N 2 1 339.440 -1.056 20 0 EAADMP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047561584 673965324 /nfs/dbraw/zinc/96/53/24/673965324.db2.gz NAAOHDOMNWOFIH-KBPBESRZSA-N 2 1 325.413 -1.446 20 0 EAADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001047598693 673970888 /nfs/dbraw/zinc/97/08/88/673970888.db2.gz RUKWLERVHLCIAD-KBPBESRZSA-N 2 1 334.424 -1.123 20 0 EAADMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047598693 673970886 /nfs/dbraw/zinc/97/08/86/673970886.db2.gz RUKWLERVHLCIAD-KBPBESRZSA-N 2 1 334.424 -1.123 20 0 EAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629224 673974655 /nfs/dbraw/zinc/97/46/55/673974655.db2.gz UVFSYFPERMDGAP-IHRRRGAJSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629224 673974654 /nfs/dbraw/zinc/97/46/54/673974654.db2.gz UVFSYFPERMDGAP-IHRRRGAJSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629224 673974652 /nfs/dbraw/zinc/97/46/52/673974652.db2.gz UVFSYFPERMDGAP-IHRRRGAJSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629224 673974650 /nfs/dbraw/zinc/97/46/50/673974650.db2.gz UVFSYFPERMDGAP-IHRRRGAJSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629225 673974870 /nfs/dbraw/zinc/97/48/70/673974870.db2.gz UVFSYFPERMDGAP-RDBSUJKOSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629225 673974869 /nfs/dbraw/zinc/97/48/69/673974869.db2.gz UVFSYFPERMDGAP-RDBSUJKOSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629225 673974868 /nfs/dbraw/zinc/97/48/68/673974868.db2.gz UVFSYFPERMDGAP-RDBSUJKOSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001047629225 673974865 /nfs/dbraw/zinc/97/48/65/673974865.db2.gz UVFSYFPERMDGAP-RDBSUJKOSA-N 2 1 339.440 -1.533 20 0 EAADMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048617892 674011869 /nfs/dbraw/zinc/01/18/69/674011869.db2.gz NKXGAEZSAPKLRV-IHRRRGAJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048617892 674011868 /nfs/dbraw/zinc/01/18/68/674011868.db2.gz NKXGAEZSAPKLRV-IHRRRGAJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048617893 674011914 /nfs/dbraw/zinc/01/19/14/674011914.db2.gz NKXGAEZSAPKLRV-MELADBBJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048617893 674011912 /nfs/dbraw/zinc/01/19/12/674011912.db2.gz NKXGAEZSAPKLRV-MELADBBJSA-N 2 1 342.440 -1.701 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740100 674023339 /nfs/dbraw/zinc/02/33/39/674023339.db2.gz ROMUOJYXOIVLCD-QLFBSQMISA-N 2 1 334.424 -1.001 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740100 674023335 /nfs/dbraw/zinc/02/33/35/674023335.db2.gz ROMUOJYXOIVLCD-QLFBSQMISA-N 2 1 334.424 -1.001 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740100 674023329 /nfs/dbraw/zinc/02/33/29/674023329.db2.gz ROMUOJYXOIVLCD-QLFBSQMISA-N 2 1 334.424 -1.001 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740100 674023326 /nfs/dbraw/zinc/02/33/26/674023326.db2.gz ROMUOJYXOIVLCD-QLFBSQMISA-N 2 1 334.424 -1.001 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740101 674023698 /nfs/dbraw/zinc/02/36/98/674023698.db2.gz ROMUOJYXOIVLCD-ZNMIVQPWSA-N 2 1 334.424 -1.001 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740101 674023697 /nfs/dbraw/zinc/02/36/97/674023697.db2.gz ROMUOJYXOIVLCD-ZNMIVQPWSA-N 2 1 334.424 -1.001 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740101 674023696 /nfs/dbraw/zinc/02/36/96/674023696.db2.gz ROMUOJYXOIVLCD-ZNMIVQPWSA-N 2 1 334.424 -1.001 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCn4cncn4)C[C@@H]3C2)C1 ZINC001048740101 674023695 /nfs/dbraw/zinc/02/36/95/674023695.db2.gz ROMUOJYXOIVLCD-ZNMIVQPWSA-N 2 1 334.424 -1.001 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740153 674023394 /nfs/dbraw/zinc/02/33/94/674023394.db2.gz UCTDFFSJOXKFQD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740153 674023392 /nfs/dbraw/zinc/02/33/92/674023392.db2.gz UCTDFFSJOXKFQD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740153 674023390 /nfs/dbraw/zinc/02/33/90/674023390.db2.gz UCTDFFSJOXKFQD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740153 674023387 /nfs/dbraw/zinc/02/33/87/674023387.db2.gz UCTDFFSJOXKFQD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740154 674023683 /nfs/dbraw/zinc/02/36/83/674023683.db2.gz UCTDFFSJOXKFQD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740154 674023682 /nfs/dbraw/zinc/02/36/82/674023682.db2.gz UCTDFFSJOXKFQD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740154 674023681 /nfs/dbraw/zinc/02/36/81/674023681.db2.gz UCTDFFSJOXKFQD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740154 674023680 /nfs/dbraw/zinc/02/36/80/674023680.db2.gz UCTDFFSJOXKFQD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740155 674023658 /nfs/dbraw/zinc/02/36/58/674023658.db2.gz UCTDFFSJOXKFQD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740155 674023657 /nfs/dbraw/zinc/02/36/57/674023657.db2.gz UCTDFFSJOXKFQD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740155 674023656 /nfs/dbraw/zinc/02/36/56/674023656.db2.gz UCTDFFSJOXKFQD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740155 674023655 /nfs/dbraw/zinc/02/36/55/674023655.db2.gz UCTDFFSJOXKFQD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740156 674023372 /nfs/dbraw/zinc/02/33/72/674023372.db2.gz UCTDFFSJOXKFQD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740156 674023366 /nfs/dbraw/zinc/02/33/66/674023366.db2.gz UCTDFFSJOXKFQD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740156 674023360 /nfs/dbraw/zinc/02/33/60/674023360.db2.gz UCTDFFSJOXKFQD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001048740156 674023355 /nfs/dbraw/zinc/02/33/55/674023355.db2.gz UCTDFFSJOXKFQD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740253 674023461 /nfs/dbraw/zinc/02/34/61/674023461.db2.gz WPPWFPWZEPPEKT-BARDWOONSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740253 674023456 /nfs/dbraw/zinc/02/34/56/674023456.db2.gz WPPWFPWZEPPEKT-BARDWOONSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740253 674023451 /nfs/dbraw/zinc/02/34/51/674023451.db2.gz WPPWFPWZEPPEKT-BARDWOONSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740253 674023449 /nfs/dbraw/zinc/02/34/49/674023449.db2.gz WPPWFPWZEPPEKT-BARDWOONSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740254 674023550 /nfs/dbraw/zinc/02/35/50/674023550.db2.gz WPPWFPWZEPPEKT-LJISPDSOSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740254 674023547 /nfs/dbraw/zinc/02/35/47/674023547.db2.gz WPPWFPWZEPPEKT-LJISPDSOSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740254 674023546 /nfs/dbraw/zinc/02/35/46/674023546.db2.gz WPPWFPWZEPPEKT-LJISPDSOSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740254 674023542 /nfs/dbraw/zinc/02/35/42/674023542.db2.gz WPPWFPWZEPPEKT-LJISPDSOSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740255 674023418 /nfs/dbraw/zinc/02/34/18/674023418.db2.gz WPPWFPWZEPPEKT-LXTVHRRPSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@H]4C[N@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740255 674023413 /nfs/dbraw/zinc/02/34/13/674023413.db2.gz WPPWFPWZEPPEKT-LXTVHRRPSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740255 674023409 /nfs/dbraw/zinc/02/34/09/674023409.db2.gz WPPWFPWZEPPEKT-LXTVHRRPSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740255 674023405 /nfs/dbraw/zinc/02/34/05/674023405.db2.gz WPPWFPWZEPPEKT-LXTVHRRPSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740256 674023708 /nfs/dbraw/zinc/02/37/08/674023708.db2.gz WPPWFPWZEPPEKT-XGUBFFRZSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740256 674023707 /nfs/dbraw/zinc/02/37/07/674023707.db2.gz WPPWFPWZEPPEKT-XGUBFFRZSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740256 674023706 /nfs/dbraw/zinc/02/37/06/674023706.db2.gz WPPWFPWZEPPEKT-XGUBFFRZSA-N 2 1 336.436 -1.062 20 0 EAADMP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[NH+](C)CCO4)C[C@H]3C2)C1=O ZINC001048740256 674023705 /nfs/dbraw/zinc/02/37/05/674023705.db2.gz WPPWFPWZEPPEKT-XGUBFFRZSA-N 2 1 336.436 -1.062 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)n1 ZINC001048825371 674033442 /nfs/dbraw/zinc/03/34/42/674033442.db2.gz SHGLGPOOIMAYDQ-BETUJISGSA-N 2 1 334.424 -1.066 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832990 674033950 /nfs/dbraw/zinc/03/39/50/674033950.db2.gz HUZJCYGZBQJCBD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832990 674033948 /nfs/dbraw/zinc/03/39/48/674033948.db2.gz HUZJCYGZBQJCBD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832990 674033947 /nfs/dbraw/zinc/03/39/47/674033947.db2.gz HUZJCYGZBQJCBD-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832991 674034030 /nfs/dbraw/zinc/03/40/30/674034030.db2.gz HUZJCYGZBQJCBD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832991 674034028 /nfs/dbraw/zinc/03/40/28/674034028.db2.gz HUZJCYGZBQJCBD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832991 674034026 /nfs/dbraw/zinc/03/40/26/674034026.db2.gz HUZJCYGZBQJCBD-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832992 674034005 /nfs/dbraw/zinc/03/40/05/674034005.db2.gz HUZJCYGZBQJCBD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832992 674034004 /nfs/dbraw/zinc/03/40/04/674034004.db2.gz HUZJCYGZBQJCBD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048832992 674034001 /nfs/dbraw/zinc/03/40/01/674034001.db2.gz HUZJCYGZBQJCBD-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832993 674034055 /nfs/dbraw/zinc/03/40/55/674034055.db2.gz HUZJCYGZBQJCBD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832993 674034053 /nfs/dbraw/zinc/03/40/53/674034053.db2.gz HUZJCYGZBQJCBD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048832993 674034051 /nfs/dbraw/zinc/03/40/51/674034051.db2.gz HUZJCYGZBQJCBD-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861934 674038634 /nfs/dbraw/zinc/03/86/34/674038634.db2.gz PIJUONPJHCUGRC-QLFBSQMISA-N 2 1 348.451 -1.051 20 0 EAADMP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861934 674038632 /nfs/dbraw/zinc/03/86/32/674038632.db2.gz PIJUONPJHCUGRC-QLFBSQMISA-N 2 1 348.451 -1.051 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861936 674038429 /nfs/dbraw/zinc/03/84/29/674038429.db2.gz PIJUONPJHCUGRC-ZNMIVQPWSA-N 2 1 348.451 -1.051 20 0 EAADMP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048861936 674038425 /nfs/dbraw/zinc/03/84/25/674038425.db2.gz PIJUONPJHCUGRC-ZNMIVQPWSA-N 2 1 348.451 -1.051 20 0 EAADMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048874100 674040611 /nfs/dbraw/zinc/04/06/11/674040611.db2.gz ROKHECUBVIVGEW-IHRRRGAJSA-N 2 1 326.441 -1.080 20 0 EAADMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048874102 674040580 /nfs/dbraw/zinc/04/05/80/674040580.db2.gz ROKHECUBVIVGEW-RDBSUJKOSA-N 2 1 326.441 -1.080 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890638 674043050 /nfs/dbraw/zinc/04/30/50/674043050.db2.gz JXAQSZLJFWVDSU-NIFZNCRKSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890638 674043047 /nfs/dbraw/zinc/04/30/47/674043047.db2.gz JXAQSZLJFWVDSU-NIFZNCRKSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890638 674043043 /nfs/dbraw/zinc/04/30/43/674043043.db2.gz JXAQSZLJFWVDSU-NIFZNCRKSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890638 674043037 /nfs/dbraw/zinc/04/30/37/674043037.db2.gz JXAQSZLJFWVDSU-NIFZNCRKSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890651 674043241 /nfs/dbraw/zinc/04/32/41/674043241.db2.gz JXAQSZLJFWVDSU-UXXRCYHCSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890651 674043238 /nfs/dbraw/zinc/04/32/38/674043238.db2.gz JXAQSZLJFWVDSU-UXXRCYHCSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890651 674043234 /nfs/dbraw/zinc/04/32/34/674043234.db2.gz JXAQSZLJFWVDSU-UXXRCYHCSA-N 2 1 336.436 -1.016 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)O1 ZINC001048890651 674043230 /nfs/dbraw/zinc/04/32/30/674043230.db2.gz JXAQSZLJFWVDSU-UXXRCYHCSA-N 2 1 336.436 -1.016 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944161 674046702 /nfs/dbraw/zinc/04/67/02/674046702.db2.gz PTFAODAMQVYCMX-IVXJQHRYSA-N 2 1 348.447 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944161 674046697 /nfs/dbraw/zinc/04/66/97/674046697.db2.gz PTFAODAMQVYCMX-IVXJQHRYSA-N 2 1 348.447 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944161 674046689 /nfs/dbraw/zinc/04/66/89/674046689.db2.gz PTFAODAMQVYCMX-IVXJQHRYSA-N 2 1 348.447 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944162 674046656 /nfs/dbraw/zinc/04/66/56/674046656.db2.gz PTFAODAMQVYCMX-QAVLVDEHSA-N 2 1 348.447 -1.014 20 0 EAADMP CNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944162 674046653 /nfs/dbraw/zinc/04/66/53/674046653.db2.gz PTFAODAMQVYCMX-QAVLVDEHSA-N 2 1 348.447 -1.014 20 0 EAADMP CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944162 674046648 /nfs/dbraw/zinc/04/66/48/674046648.db2.gz PTFAODAMQVYCMX-QAVLVDEHSA-N 2 1 348.447 -1.014 20 0 EAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944379 674046392 /nfs/dbraw/zinc/04/63/92/674046392.db2.gz VOPVJLHDWCLVKF-QGJIUJSSSA-N 2 1 334.420 -1.275 20 0 EAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944379 674046388 /nfs/dbraw/zinc/04/63/88/674046388.db2.gz VOPVJLHDWCLVKF-QGJIUJSSSA-N 2 1 334.420 -1.275 20 0 EAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944379 674046386 /nfs/dbraw/zinc/04/63/86/674046386.db2.gz VOPVJLHDWCLVKF-QGJIUJSSSA-N 2 1 334.420 -1.275 20 0 EAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944380 674046515 /nfs/dbraw/zinc/04/65/15/674046515.db2.gz VOPVJLHDWCLVKF-ZYZJXQEISA-N 2 1 334.420 -1.275 20 0 EAADMP NC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944380 674046510 /nfs/dbraw/zinc/04/65/10/674046510.db2.gz VOPVJLHDWCLVKF-ZYZJXQEISA-N 2 1 334.420 -1.275 20 0 EAADMP NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944380 674046506 /nfs/dbraw/zinc/04/65/06/674046506.db2.gz VOPVJLHDWCLVKF-ZYZJXQEISA-N 2 1 334.420 -1.275 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[N@H+](CC(N)=O)C[C@@H]3C2)cn1 ZINC001049109554 674068143 /nfs/dbraw/zinc/06/81/43/674068143.db2.gz UQWHZIBZUSZVRF-OKILXGFUSA-N 2 1 334.424 -1.066 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049116249 674069445 /nfs/dbraw/zinc/06/94/45/674069445.db2.gz GRCNNFJUWFMGHF-QLFBSQMISA-N 2 1 336.436 -1.013 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049116249 674069443 /nfs/dbraw/zinc/06/94/43/674069443.db2.gz GRCNNFJUWFMGHF-QLFBSQMISA-N 2 1 336.436 -1.013 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049116250 674069481 /nfs/dbraw/zinc/06/94/81/674069481.db2.gz GRCNNFJUWFMGHF-ZNMIVQPWSA-N 2 1 336.436 -1.013 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049116250 674069480 /nfs/dbraw/zinc/06/94/80/674069480.db2.gz GRCNNFJUWFMGHF-ZNMIVQPWSA-N 2 1 336.436 -1.013 20 0 EAADMP Cn1[nH]c(C[NH+]2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)nc1=O ZINC001049213386 674080470 /nfs/dbraw/zinc/08/04/70/674080470.db2.gz OKGFAYYRDHUTOY-RWMBFGLXSA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[NH+]2C[C@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)C[C@H]3C2)nc1=O ZINC001049213386 674080469 /nfs/dbraw/zinc/08/04/69/674080469.db2.gz OKGFAYYRDHUTOY-RWMBFGLXSA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)nc1=O ZINC001049213386 674080467 /nfs/dbraw/zinc/08/04/67/674080467.db2.gz OKGFAYYRDHUTOY-RWMBFGLXSA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)nc1=O ZINC001049213386 674080466 /nfs/dbraw/zinc/08/04/66/674080466.db2.gz OKGFAYYRDHUTOY-RWMBFGLXSA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C[C@H]3C2)nc1=O ZINC001049213387 674080439 /nfs/dbraw/zinc/08/04/39/674080439.db2.gz OKGFAYYRDHUTOY-UPJWGTAASA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)C[C@H]3C2)nc1=O ZINC001049213387 674080438 /nfs/dbraw/zinc/08/04/38/674080438.db2.gz OKGFAYYRDHUTOY-UPJWGTAASA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)nc1=O ZINC001049213387 674080437 /nfs/dbraw/zinc/08/04/37/674080437.db2.gz OKGFAYYRDHUTOY-UPJWGTAASA-N 2 1 334.424 -1.050 20 0 EAADMP Cn1[nH]c(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)nc1=O ZINC001049213387 674080435 /nfs/dbraw/zinc/08/04/35/674080435.db2.gz OKGFAYYRDHUTOY-UPJWGTAASA-N 2 1 334.424 -1.050 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215026 674080527 /nfs/dbraw/zinc/08/05/27/674080527.db2.gz GOPBUCRCGBKMOX-MCIONIFRSA-N 2 1 349.435 -1.120 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215026 674080525 /nfs/dbraw/zinc/08/05/25/674080525.db2.gz GOPBUCRCGBKMOX-MCIONIFRSA-N 2 1 349.435 -1.120 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215026 674080524 /nfs/dbraw/zinc/08/05/24/674080524.db2.gz GOPBUCRCGBKMOX-MCIONIFRSA-N 2 1 349.435 -1.120 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215027 674080149 /nfs/dbraw/zinc/08/01/49/674080149.db2.gz GOPBUCRCGBKMOX-MELADBBJSA-N 2 1 349.435 -1.120 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215027 674080145 /nfs/dbraw/zinc/08/01/45/674080145.db2.gz GOPBUCRCGBKMOX-MELADBBJSA-N 2 1 349.435 -1.120 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@@H]3C2)C1 ZINC001049215027 674080144 /nfs/dbraw/zinc/08/01/44/674080144.db2.gz GOPBUCRCGBKMOX-MELADBBJSA-N 2 1 349.435 -1.120 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222541 674080488 /nfs/dbraw/zinc/08/04/88/674080488.db2.gz LVRGDXBMKGCDMM-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222541 674080487 /nfs/dbraw/zinc/08/04/87/674080487.db2.gz LVRGDXBMKGCDMM-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222541 674080485 /nfs/dbraw/zinc/08/04/85/674080485.db2.gz LVRGDXBMKGCDMM-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222541 674080484 /nfs/dbraw/zinc/08/04/84/674080484.db2.gz LVRGDXBMKGCDMM-BARDWOONSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222542 674081133 /nfs/dbraw/zinc/08/11/33/674081133.db2.gz LVRGDXBMKGCDMM-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222542 674081130 /nfs/dbraw/zinc/08/11/30/674081130.db2.gz LVRGDXBMKGCDMM-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222542 674081126 /nfs/dbraw/zinc/08/11/26/674081126.db2.gz LVRGDXBMKGCDMM-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222542 674081124 /nfs/dbraw/zinc/08/11/24/674081124.db2.gz LVRGDXBMKGCDMM-LJISPDSOSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222543 674081068 /nfs/dbraw/zinc/08/10/68/674081068.db2.gz LVRGDXBMKGCDMM-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222543 674081064 /nfs/dbraw/zinc/08/10/64/674081064.db2.gz LVRGDXBMKGCDMM-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222543 674081061 /nfs/dbraw/zinc/08/10/61/674081061.db2.gz LVRGDXBMKGCDMM-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222543 674081055 /nfs/dbraw/zinc/08/10/55/674081055.db2.gz LVRGDXBMKGCDMM-LXTVHRRPSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222544 674081194 /nfs/dbraw/zinc/08/11/94/674081194.db2.gz LVRGDXBMKGCDMM-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222544 674081193 /nfs/dbraw/zinc/08/11/93/674081193.db2.gz LVRGDXBMKGCDMM-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222544 674081192 /nfs/dbraw/zinc/08/11/92/674081192.db2.gz LVRGDXBMKGCDMM-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049222544 674081191 /nfs/dbraw/zinc/08/11/91/674081191.db2.gz LVRGDXBMKGCDMM-XGUBFFRZSA-N 2 1 336.436 -1.014 20 0 EAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001049428854 674089340 /nfs/dbraw/zinc/08/93/40/674089340.db2.gz OXKFRPPHMDZGJN-IHRRRGAJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001049428854 674089337 /nfs/dbraw/zinc/08/93/37/674089337.db2.gz OXKFRPPHMDZGJN-IHRRRGAJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1O ZINC001049428857 674089527 /nfs/dbraw/zinc/08/95/27/674089527.db2.gz OXKFRPPHMDZGJN-MELADBBJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1O ZINC001049428857 674089523 /nfs/dbraw/zinc/08/95/23/674089523.db2.gz OXKFRPPHMDZGJN-MELADBBJSA-N 2 1 342.440 -1.701 20 0 EAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049435832 674089709 /nfs/dbraw/zinc/08/97/09/674089709.db2.gz SLEZZESGAFUJAZ-IHRRRGAJSA-N 2 1 326.441 -1.080 20 0 EAADMP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1O ZINC001049435833 674089645 /nfs/dbraw/zinc/08/96/45/674089645.db2.gz SLEZZESGAFUJAZ-RDBSUJKOSA-N 2 1 326.441 -1.080 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617543 672813875 /nfs/dbraw/zinc/81/38/75/672813875.db2.gz SZLFJBRULNKVAW-KBPBESRZSA-N 2 1 349.439 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617545 672814076 /nfs/dbraw/zinc/81/40/76/672814076.db2.gz SZLFJBRULNKVAW-KGLIPLIRSA-N 2 1 349.439 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617547 672813786 /nfs/dbraw/zinc/81/37/86/672813786.db2.gz SZLFJBRULNKVAW-UONOGXRCSA-N 2 1 349.439 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051617548 672814084 /nfs/dbraw/zinc/81/40/84/672814084.db2.gz SZLFJBRULNKVAW-ZIAGYGMSSA-N 2 1 349.439 -1.131 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001051622721 672814630 /nfs/dbraw/zinc/81/46/30/672814630.db2.gz WZCNULIEEZNGAR-FRRDWIJNSA-N 2 1 337.428 -1.133 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001051622721 672814628 /nfs/dbraw/zinc/81/46/28/672814628.db2.gz WZCNULIEEZNGAR-FRRDWIJNSA-N 2 1 337.428 -1.133 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001051622722 672814481 /nfs/dbraw/zinc/81/44/81/672814481.db2.gz WZCNULIEEZNGAR-JHJVBQTASA-N 2 1 337.428 -1.133 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001051622722 672814477 /nfs/dbraw/zinc/81/44/77/672814477.db2.gz WZCNULIEEZNGAR-JHJVBQTASA-N 2 1 337.428 -1.133 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654544 672819878 /nfs/dbraw/zinc/81/98/78/672819878.db2.gz PSORMWZBAFKJLB-GXTWGEPZSA-N 2 1 337.428 -1.133 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654545 672819799 /nfs/dbraw/zinc/81/97/99/672819799.db2.gz PSORMWZBAFKJLB-JSGCOSHPSA-N 2 1 337.428 -1.133 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654546 672819921 /nfs/dbraw/zinc/81/99/21/672819921.db2.gz PSORMWZBAFKJLB-OCCSQVGLSA-N 2 1 337.428 -1.133 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051654547 672819764 /nfs/dbraw/zinc/81/97/64/672819764.db2.gz PSORMWZBAFKJLB-TZMCWYRMSA-N 2 1 337.428 -1.133 20 0 EAADMP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001051683978 672824575 /nfs/dbraw/zinc/82/45/75/672824575.db2.gz UJKDFGLZSOFPTR-NWDGAFQWSA-N 2 1 325.417 -1.133 20 0 EAADMP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001051683979 672824684 /nfs/dbraw/zinc/82/46/84/672824684.db2.gz UJKDFGLZSOFPTR-VXGBXAGGSA-N 2 1 325.417 -1.133 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051717500 672829794 /nfs/dbraw/zinc/82/97/94/672829794.db2.gz ZAQGIXKLNMGVPG-CHWSQXEVSA-N 2 1 349.391 -1.186 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051717501 672830296 /nfs/dbraw/zinc/83/02/96/672830296.db2.gz ZAQGIXKLNMGVPG-OLZOCXBDSA-N 2 1 349.391 -1.186 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051717502 672830190 /nfs/dbraw/zinc/83/01/90/672830190.db2.gz ZAQGIXKLNMGVPG-QWHCGFSZSA-N 2 1 349.391 -1.186 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051717503 672830141 /nfs/dbraw/zinc/83/01/41/672830141.db2.gz ZAQGIXKLNMGVPG-STQMWFEESA-N 2 1 349.391 -1.186 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051801875 672843764 /nfs/dbraw/zinc/84/37/64/672843764.db2.gz QKECECMQTUFGOM-CYBMUJFWSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051801877 672843914 /nfs/dbraw/zinc/84/39/14/672843914.db2.gz QKECECMQTUFGOM-ZDUSSCGKSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825175 672846585 /nfs/dbraw/zinc/84/65/85/672846585.db2.gz RMGHJYSIOYOANZ-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825175 672846578 /nfs/dbraw/zinc/84/65/78/672846578.db2.gz RMGHJYSIOYOANZ-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825177 672846228 /nfs/dbraw/zinc/84/62/28/672846228.db2.gz RMGHJYSIOYOANZ-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825177 672846221 /nfs/dbraw/zinc/84/62/21/672846221.db2.gz RMGHJYSIOYOANZ-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825179 672846525 /nfs/dbraw/zinc/84/65/25/672846525.db2.gz RMGHJYSIOYOANZ-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825179 672846519 /nfs/dbraw/zinc/84/65/19/672846519.db2.gz RMGHJYSIOYOANZ-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825181 672846340 /nfs/dbraw/zinc/84/63/40/672846340.db2.gz RMGHJYSIOYOANZ-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001051825181 672846336 /nfs/dbraw/zinc/84/63/36/672846336.db2.gz RMGHJYSIOYOANZ-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001051832123 672848330 /nfs/dbraw/zinc/84/83/30/672848330.db2.gz UJKDFGLZSOFPTR-NEPJUHHUSA-N 2 1 325.417 -1.133 20 0 EAADMP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2nnnn2C)C1)[NH+](C)C ZINC001051832126 672847819 /nfs/dbraw/zinc/84/78/19/672847819.db2.gz UJKDFGLZSOFPTR-RYUDHWBXSA-N 2 1 325.417 -1.133 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051869667 672851292 /nfs/dbraw/zinc/85/12/92/672851292.db2.gz VYAVJGKEBYIVBV-KBPBESRZSA-N 2 1 340.424 -1.586 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051869668 672851377 /nfs/dbraw/zinc/85/13/77/672851377.db2.gz VYAVJGKEBYIVBV-KGLIPLIRSA-N 2 1 340.424 -1.586 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051869669 672851038 /nfs/dbraw/zinc/85/10/38/672851038.db2.gz VYAVJGKEBYIVBV-UONOGXRCSA-N 2 1 340.424 -1.586 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051869670 672851397 /nfs/dbraw/zinc/85/13/97/672851397.db2.gz VYAVJGKEBYIVBV-ZIAGYGMSSA-N 2 1 340.424 -1.586 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051902032 672854161 /nfs/dbraw/zinc/85/41/61/672854161.db2.gz UFXACLGATKYUTA-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902032 672854155 /nfs/dbraw/zinc/85/41/55/672854155.db2.gz UFXACLGATKYUTA-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051902033 672854286 /nfs/dbraw/zinc/85/42/86/672854286.db2.gz UFXACLGATKYUTA-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902033 672854280 /nfs/dbraw/zinc/85/42/80/672854280.db2.gz UFXACLGATKYUTA-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051902067 672854554 /nfs/dbraw/zinc/85/45/54/672854554.db2.gz UFXACLGATKYUTA-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902067 672854549 /nfs/dbraw/zinc/85/45/49/672854549.db2.gz UFXACLGATKYUTA-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051902068 672854782 /nfs/dbraw/zinc/85/47/82/672854782.db2.gz UFXACLGATKYUTA-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902068 672854777 /nfs/dbraw/zinc/85/47/77/672854777.db2.gz UFXACLGATKYUTA-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904396 672854222 /nfs/dbraw/zinc/85/42/22/672854222.db2.gz KXTZZTUOJBNFIM-GFCCVEGCSA-N 2 1 335.412 -1.377 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904397 672854616 /nfs/dbraw/zinc/85/46/16/672854616.db2.gz KXTZZTUOJBNFIM-LBPRGKRZSA-N 2 1 335.412 -1.377 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)nc1=O ZINC001051930277 672859167 /nfs/dbraw/zinc/85/91/67/672859167.db2.gz LJUNDDOUDSOZTD-NEPJUHHUSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)nc1=O ZINC001051930277 672859164 /nfs/dbraw/zinc/85/91/64/672859164.db2.gz LJUNDDOUDSOZTD-NEPJUHHUSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)nc1=O ZINC001051930278 672859060 /nfs/dbraw/zinc/85/90/60/672859060.db2.gz LJUNDDOUDSOZTD-NWDGAFQWSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)nc1=O ZINC001051930278 672859054 /nfs/dbraw/zinc/85/90/54/672859054.db2.gz LJUNDDOUDSOZTD-NWDGAFQWSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)nc1=O ZINC001051930279 672859110 /nfs/dbraw/zinc/85/91/10/672859110.db2.gz LJUNDDOUDSOZTD-RYUDHWBXSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)nc1=O ZINC001051930279 672859107 /nfs/dbraw/zinc/85/91/07/672859107.db2.gz LJUNDDOUDSOZTD-RYUDHWBXSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)nc1=O ZINC001051930280 672859187 /nfs/dbraw/zinc/85/91/87/672859187.db2.gz LJUNDDOUDSOZTD-VXGBXAGGSA-N 2 1 338.412 -1.623 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)nc1=O ZINC001051930280 672859184 /nfs/dbraw/zinc/85/91/84/672859184.db2.gz LJUNDDOUDSOZTD-VXGBXAGGSA-N 2 1 338.412 -1.623 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051933550 672859739 /nfs/dbraw/zinc/85/97/39/672859739.db2.gz JMIVXCZYFZKWGB-CHWSQXEVSA-N 2 1 349.391 -1.186 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051933555 672859692 /nfs/dbraw/zinc/85/96/92/672859692.db2.gz JMIVXCZYFZKWGB-OLZOCXBDSA-N 2 1 349.391 -1.186 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001051933605 672859825 /nfs/dbraw/zinc/85/98/25/672859825.db2.gz JMIVXCZYFZKWGB-QWHCGFSZSA-N 2 1 349.391 -1.186 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001051933606 672859677 /nfs/dbraw/zinc/85/96/77/672859677.db2.gz JMIVXCZYFZKWGB-STQMWFEESA-N 2 1 349.391 -1.186 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055542768 674195576 /nfs/dbraw/zinc/19/55/76/674195576.db2.gz IXUJSEQUYCBGJH-CYBMUJFWSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055542768 674195575 /nfs/dbraw/zinc/19/55/75/674195575.db2.gz IXUJSEQUYCBGJH-CYBMUJFWSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055542769 674195701 /nfs/dbraw/zinc/19/57/01/674195701.db2.gz IXUJSEQUYCBGJH-ZDUSSCGKSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055542769 674195698 /nfs/dbraw/zinc/19/56/98/674195698.db2.gz IXUJSEQUYCBGJH-ZDUSSCGKSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055544996 674195959 /nfs/dbraw/zinc/19/59/59/674195959.db2.gz BLLVGCVLDZCVMY-GFCCVEGCSA-N 2 1 325.413 -1.737 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055544997 674196016 /nfs/dbraw/zinc/19/60/16/674196016.db2.gz BLLVGCVLDZCVMY-LBPRGKRZSA-N 2 1 325.413 -1.737 20 0 EAADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546557 674196233 /nfs/dbraw/zinc/19/62/33/674196233.db2.gz DSVHWVPUSKQUOI-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546611 674196158 /nfs/dbraw/zinc/19/61/58/674196158.db2.gz FDBMHRALEZNZNA-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546946 674196592 /nfs/dbraw/zinc/19/65/92/674196592.db2.gz MOUPLLWPFPDZJE-CYBMUJFWSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055546948 674196431 /nfs/dbraw/zinc/19/64/31/674196431.db2.gz MOUPLLWPFPDZJE-ZDUSSCGKSA-N 2 1 339.440 -1.347 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001055548293 674196877 /nfs/dbraw/zinc/19/68/77/674196877.db2.gz LGSLEWHTUCCZOD-UHFFFAOYSA-N 2 1 341.456 -1.101 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)C1 ZINC001055548521 674196891 /nfs/dbraw/zinc/19/68/91/674196891.db2.gz PIVAXAJVCVKGDX-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)CC(N)=O)CC2)C1 ZINC001055548522 674196895 /nfs/dbraw/zinc/19/68/95/674196895.db2.gz PIVAXAJVCVKGDX-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001055577845 674198893 /nfs/dbraw/zinc/19/88/93/674198893.db2.gz CLUUMNHTUFGOQK-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)CC(N)=O)CC2)C1 ZINC001055577846 674198966 /nfs/dbraw/zinc/19/89/66/674198966.db2.gz CLUUMNHTUFGOQK-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055578593 674198813 /nfs/dbraw/zinc/19/88/13/674198813.db2.gz QIDKRYFMVRZYKS-LLVKDONJSA-N 2 1 325.413 -1.880 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055578594 674198796 /nfs/dbraw/zinc/19/87/96/674198796.db2.gz QIDKRYFMVRZYKS-NSHDSACASA-N 2 1 325.413 -1.880 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055578930 674198936 /nfs/dbraw/zinc/19/89/36/674198936.db2.gz ZYGYXYZSCPDSJX-UHFFFAOYSA-N 2 1 336.396 -1.626 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CC[N@H+]1C ZINC001055583356 674199381 /nfs/dbraw/zinc/19/93/81/674199381.db2.gz KRBOBWJGRDXADE-DGCLKSJQSA-N 2 1 339.440 -1.491 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055589272 674199246 /nfs/dbraw/zinc/19/92/46/674199246.db2.gz DYHPUBUFKFDZFW-UHFFFAOYSA-N 2 1 327.429 -1.491 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055589878 674199192 /nfs/dbraw/zinc/19/91/92/674199192.db2.gz SOFKQPYMRYLYKR-UHFFFAOYSA-N 2 1 341.456 -1.101 20 0 EAADMP C[NH+](C)C1(C(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)CCC1 ZINC001055590122 674199644 /nfs/dbraw/zinc/19/96/44/674199644.db2.gz DGRCUIYJYNVLAM-UHFFFAOYSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+](CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1)C1CCC1 ZINC001055592511 674199800 /nfs/dbraw/zinc/19/98/00/674199800.db2.gz RTNJHFVSLHWSTC-UHFFFAOYSA-N 2 1 339.440 -1.347 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055593130 674199690 /nfs/dbraw/zinc/19/96/90/674199690.db2.gz DWRRJDZHQGVDGL-UHFFFAOYSA-N 2 1 341.456 -1.101 20 0 EAADMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055593130 674199689 /nfs/dbraw/zinc/19/96/89/674199689.db2.gz DWRRJDZHQGVDGL-UHFFFAOYSA-N 2 1 341.456 -1.101 20 0 EAADMP CC[C@H](C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001055593871 674199635 /nfs/dbraw/zinc/19/96/35/674199635.db2.gz BZRZGDFJXAYFEI-CYBMUJFWSA-N 2 1 341.456 -1.101 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055598374 674200773 /nfs/dbraw/zinc/20/07/73/674200773.db2.gz RQIYCVZJTGRKQK-CYBMUJFWSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055598375 674200820 /nfs/dbraw/zinc/20/08/20/674200820.db2.gz RQIYCVZJTGRKQK-ZDUSSCGKSA-N 2 1 339.440 -1.347 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055599485 674200563 /nfs/dbraw/zinc/20/05/63/674200563.db2.gz BVSUEIMGXRESHD-UHFFFAOYSA-N 2 1 336.396 -1.626 20 0 EAADMP CC[C@@H](C(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1)[NH+](C)C ZINC001055601794 674200737 /nfs/dbraw/zinc/20/07/37/674200737.db2.gz BZRZGDFJXAYFEI-ZDUSSCGKSA-N 2 1 341.456 -1.101 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055601933 674200634 /nfs/dbraw/zinc/20/06/34/674200634.db2.gz ILHHMWUNEQRQFM-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055601934 674200683 /nfs/dbraw/zinc/20/06/83/674200683.db2.gz ILHHMWUNEQRQFM-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055606534 674201055 /nfs/dbraw/zinc/20/10/55/674201055.db2.gz HIAPGVDZZFZQID-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055606780 674201152 /nfs/dbraw/zinc/20/11/52/674201152.db2.gz LTSNRAPPHMYXGK-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP CCC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055607228 674201206 /nfs/dbraw/zinc/20/12/06/674201206.db2.gz VUUNTEMYVBKYBS-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627012 674203185 /nfs/dbraw/zinc/20/31/85/674203185.db2.gz KPYMHLCNWCYUBE-GFCCVEGCSA-N 2 1 325.413 -1.737 20 0 EAADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627012 674203184 /nfs/dbraw/zinc/20/31/84/674203184.db2.gz KPYMHLCNWCYUBE-GFCCVEGCSA-N 2 1 325.413 -1.737 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627013 674202961 /nfs/dbraw/zinc/20/29/61/674202961.db2.gz KPYMHLCNWCYUBE-LBPRGKRZSA-N 2 1 325.413 -1.737 20 0 EAADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055627013 674202960 /nfs/dbraw/zinc/20/29/60/674202960.db2.gz KPYMHLCNWCYUBE-LBPRGKRZSA-N 2 1 325.413 -1.737 20 0 EAADMP NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055628283 674203475 /nfs/dbraw/zinc/20/34/75/674203475.db2.gz AGEVSZTXLZJBMK-UHFFFAOYSA-N 2 1 325.413 -1.736 20 0 EAADMP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628378 674203815 /nfs/dbraw/zinc/20/38/15/674203815.db2.gz CICKYCJTGKQHAZ-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP C[NH+](C)CC1(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CC1 ZINC001055628669 674203982 /nfs/dbraw/zinc/20/39/82/674203982.db2.gz GMAGMLCHEISTCR-UHFFFAOYSA-N 2 1 339.440 -1.490 20 0 EAADMP C[NH+]1CCC(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CC1 ZINC001055628700 674203945 /nfs/dbraw/zinc/20/39/45/674203945.db2.gz HLSZGBADNCPDSG-UHFFFAOYSA-N 2 1 339.440 -1.490 20 0 EAADMP C[NH+](C)CCCCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628843 674204143 /nfs/dbraw/zinc/20/41/43/674204143.db2.gz IPAMFSCLTPJFFN-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628859 674204102 /nfs/dbraw/zinc/20/41/02/674204102.db2.gz JHVCMCPSDBLWRB-AAEUAGOBSA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628859 674204100 /nfs/dbraw/zinc/20/41/00/674204100.db2.gz JHVCMCPSDBLWRB-AAEUAGOBSA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628860 674204094 /nfs/dbraw/zinc/20/40/94/674204094.db2.gz JHVCMCPSDBLWRB-DGCLKSJQSA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628860 674204091 /nfs/dbraw/zinc/20/40/91/674204091.db2.gz JHVCMCPSDBLWRB-DGCLKSJQSA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628861 674204228 /nfs/dbraw/zinc/20/42/28/674204228.db2.gz JHVCMCPSDBLWRB-WCQYABFASA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628861 674204224 /nfs/dbraw/zinc/20/42/24/674204224.db2.gz JHVCMCPSDBLWRB-WCQYABFASA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628862 674204191 /nfs/dbraw/zinc/20/41/91/674204191.db2.gz JHVCMCPSDBLWRB-YPMHNXCESA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628862 674204187 /nfs/dbraw/zinc/20/41/87/674204187.db2.gz JHVCMCPSDBLWRB-YPMHNXCESA-N 2 1 339.440 -1.634 20 0 EAADMP NC(=O)C(=O)NCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055628896 674204259 /nfs/dbraw/zinc/20/42/59/674204259.db2.gz KNCASRGNUYTXJN-UHFFFAOYSA-N 2 1 337.424 -1.736 20 0 EAADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628999 674204371 /nfs/dbraw/zinc/20/43/71/674204371.db2.gz LZSSTUQWHJMSNB-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055628999 674204370 /nfs/dbraw/zinc/20/43/70/674204370.db2.gz LZSSTUQWHJMSNB-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629002 674204378 /nfs/dbraw/zinc/20/43/78/674204378.db2.gz MARBJEQWJXAWLM-LLVKDONJSA-N 2 1 325.413 -1.880 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629002 674204377 /nfs/dbraw/zinc/20/43/77/674204377.db2.gz MARBJEQWJXAWLM-LLVKDONJSA-N 2 1 325.413 -1.880 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629004 674204339 /nfs/dbraw/zinc/20/43/39/674204339.db2.gz MARBJEQWJXAWLM-NSHDSACASA-N 2 1 325.413 -1.880 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629004 674204337 /nfs/dbraw/zinc/20/43/37/674204337.db2.gz MARBJEQWJXAWLM-NSHDSACASA-N 2 1 325.413 -1.880 20 0 EAADMP CC(C)[C@H](C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055629075 674204312 /nfs/dbraw/zinc/20/43/12/674204312.db2.gz NQDJHEJIICNUPM-CYBMUJFWSA-N 2 1 341.456 -1.245 20 0 EAADMP CC(C)[C@@H](C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055629076 674204204 /nfs/dbraw/zinc/20/42/04/674204204.db2.gz NQDJHEJIICNUPM-ZDUSSCGKSA-N 2 1 341.456 -1.245 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629091 674204546 /nfs/dbraw/zinc/20/45/46/674204546.db2.gz NYQPVSPXXKLKNO-GFCCVEGCSA-N 2 1 339.440 -1.347 20 0 EAADMP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629091 674204542 /nfs/dbraw/zinc/20/45/42/674204542.db2.gz NYQPVSPXXKLKNO-GFCCVEGCSA-N 2 1 339.440 -1.347 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629092 674204737 /nfs/dbraw/zinc/20/47/37/674204737.db2.gz NYQPVSPXXKLKNO-LBPRGKRZSA-N 2 1 339.440 -1.347 20 0 EAADMP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629092 674204736 /nfs/dbraw/zinc/20/47/36/674204736.db2.gz NYQPVSPXXKLKNO-LBPRGKRZSA-N 2 1 339.440 -1.347 20 0 EAADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CC[N@H+]1C ZINC001055629190 674204617 /nfs/dbraw/zinc/20/46/17/674204617.db2.gz PZPQPMPOZGCBST-DGCLKSJQSA-N 2 1 339.440 -1.491 20 0 EAADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CC[N@@H+]1C ZINC001055629190 674204613 /nfs/dbraw/zinc/20/46/13/674204613.db2.gz PZPQPMPOZGCBST-DGCLKSJQSA-N 2 1 339.440 -1.491 20 0 EAADMP CC[C@H](C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055629211 674204752 /nfs/dbraw/zinc/20/47/52/674204752.db2.gz QRPNLEVWIZZJAN-GFCCVEGCSA-N 2 1 327.429 -1.491 20 0 EAADMP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)[NH+](C)C ZINC001055629212 674204704 /nfs/dbraw/zinc/20/47/04/674204704.db2.gz QRPNLEVWIZZJAN-LBPRGKRZSA-N 2 1 327.429 -1.491 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629213 674204729 /nfs/dbraw/zinc/20/47/29/674204729.db2.gz QRSXTBUHSLVLIO-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629213 674204728 /nfs/dbraw/zinc/20/47/28/674204728.db2.gz QRSXTBUHSLVLIO-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629214 674204744 /nfs/dbraw/zinc/20/47/44/674204744.db2.gz QRSXTBUHSLVLIO-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629214 674204743 /nfs/dbraw/zinc/20/47/43/674204743.db2.gz QRSXTBUHSLVLIO-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[NH+](C)CCOCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629246 674204761 /nfs/dbraw/zinc/20/47/61/674204761.db2.gz RNXQZEBNQCVFRS-UHFFFAOYSA-N 2 1 343.428 -2.253 20 0 EAADMP CC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629262 674204682 /nfs/dbraw/zinc/20/46/82/674204682.db2.gz SCNDOIDXRKJLQU-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629262 674204679 /nfs/dbraw/zinc/20/46/79/674204679.db2.gz SCNDOIDXRKJLQU-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP CCC[N@@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629267 674205158 /nfs/dbraw/zinc/20/51/58/674205158.db2.gz SLBZCKGLICONPN-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP CCC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629267 674205153 /nfs/dbraw/zinc/20/51/53/674205153.db2.gz SLBZCKGLICONPN-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP C[NH+](C)CCCC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629277 674205095 /nfs/dbraw/zinc/20/50/95/674205095.db2.gz SVRXPQWJFBNWDQ-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629332 674204998 /nfs/dbraw/zinc/20/49/98/674204998.db2.gz WFOIDCLLCXHZOR-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629332 674204997 /nfs/dbraw/zinc/20/49/97/674204997.db2.gz WFOIDCLLCXHZOR-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629333 674205022 /nfs/dbraw/zinc/20/50/22/674205022.db2.gz WFOIDCLLCXHZOR-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)C1 ZINC001055629333 674205021 /nfs/dbraw/zinc/20/50/21/674205021.db2.gz WFOIDCLLCXHZOR-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[NH+](C)C1(C(=O)NC2CC[NH+](CCNC(=O)C(N)=O)CC2)CCC1 ZINC001055629339 674205087 /nfs/dbraw/zinc/20/50/87/674205087.db2.gz WRFSFPXUKSMFFP-UHFFFAOYSA-N 2 1 339.440 -1.347 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629346 674205122 /nfs/dbraw/zinc/20/51/22/674205122.db2.gz WVAOAYWKAPYZPH-UHFFFAOYSA-N 2 1 341.456 -1.101 20 0 EAADMP CC[N@H+](C)C(C)(C)C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629346 674205119 /nfs/dbraw/zinc/20/51/19/674205119.db2.gz WVAOAYWKAPYZPH-UHFFFAOYSA-N 2 1 341.456 -1.101 20 0 EAADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)C1CC1 ZINC001055629420 674205496 /nfs/dbraw/zinc/20/54/96/674205496.db2.gz ZVVKVWQUOSGNPH-CYBMUJFWSA-N 2 1 339.440 -1.491 20 0 EAADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)C1CC1 ZINC001055629421 674205428 /nfs/dbraw/zinc/20/54/28/674205428.db2.gz ZVVKVWQUOSGNPH-ZDUSSCGKSA-N 2 1 339.440 -1.491 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629639 674205330 /nfs/dbraw/zinc/20/53/30/674205330.db2.gz GAJNTIQQCDVHPO-CYBMUJFWSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629639 674205329 /nfs/dbraw/zinc/20/53/29/674205329.db2.gz GAJNTIQQCDVHPO-CYBMUJFWSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629640 674205546 /nfs/dbraw/zinc/20/55/46/674205546.db2.gz GAJNTIQQCDVHPO-ZDUSSCGKSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629640 674205542 /nfs/dbraw/zinc/20/55/42/674205542.db2.gz GAJNTIQQCDVHPO-ZDUSSCGKSA-N 2 1 339.440 -1.347 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629831 674205441 /nfs/dbraw/zinc/20/54/41/674205441.db2.gz LNCBUENANGJFGO-UHFFFAOYSA-N 2 1 327.429 -1.491 20 0 EAADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1 ZINC001055629831 674205440 /nfs/dbraw/zinc/20/54/40/674205440.db2.gz LNCBUENANGJFGO-UHFFFAOYSA-N 2 1 327.429 -1.491 20 0 EAADMP C[N@@H+](CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)C1CCC1 ZINC001055629932 674205639 /nfs/dbraw/zinc/20/56/39/674205639.db2.gz OIQPEPGCHUNZRU-UHFFFAOYSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+](CC(=O)NC1CC[NH+](CCNC(=O)C(N)=O)CC1)C1CCC1 ZINC001055629932 674205635 /nfs/dbraw/zinc/20/56/35/674205635.db2.gz OIQPEPGCHUNZRU-UHFFFAOYSA-N 2 1 339.440 -1.347 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)CC(N)=O)CC1 ZINC001055642838 674206469 /nfs/dbraw/zinc/20/64/69/674206469.db2.gz OIYRCCQVOHRQND-UHFFFAOYSA-N 2 1 341.456 -1.100 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055643200 674206392 /nfs/dbraw/zinc/20/63/92/674206392.db2.gz YOGARJGOMLVURS-UHFFFAOYSA-N 2 1 327.429 -1.490 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644671 674206261 /nfs/dbraw/zinc/20/62/61/674206261.db2.gz AKZXFXMOARRMQT-AAEUAGOBSA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644672 674206191 /nfs/dbraw/zinc/20/61/91/674206191.db2.gz AKZXFXMOARRMQT-DGCLKSJQSA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644673 674206412 /nfs/dbraw/zinc/20/64/12/674206412.db2.gz AKZXFXMOARRMQT-WCQYABFASA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644674 674206404 /nfs/dbraw/zinc/20/64/04/674206404.db2.gz AKZXFXMOARRMQT-YPMHNXCESA-N 2 1 339.440 -1.634 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644690 674206309 /nfs/dbraw/zinc/20/63/09/674206309.db2.gz BBUGFFDQGIDGJG-GFCCVEGCSA-N 2 1 339.440 -1.347 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001055644691 674206295 /nfs/dbraw/zinc/20/62/95/674206295.db2.gz BBUGFFDQGIDGJG-LBPRGKRZSA-N 2 1 339.440 -1.347 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055645208 674206850 /nfs/dbraw/zinc/20/68/50/674206850.db2.gz OHNTXMORAIAPMR-GFCCVEGCSA-N 2 1 339.440 -1.490 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCC(NC(=O)C(N)=O)CC2)C1 ZINC001055645209 674206802 /nfs/dbraw/zinc/20/68/02/674206802.db2.gz OHNTXMORAIAPMR-LBPRGKRZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001057212664 672591402 /nfs/dbraw/zinc/59/14/02/672591402.db2.gz SGAQHQGQCLCRRJ-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001057212665 672591462 /nfs/dbraw/zinc/59/14/62/672591462.db2.gz SGAQHQGQCLCRRJ-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001057213898 672593212 /nfs/dbraw/zinc/59/32/12/672593212.db2.gz QODJEEPWJCTTBC-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001057213898 672593209 /nfs/dbraw/zinc/59/32/09/672593209.db2.gz QODJEEPWJCTTBC-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057213898 672593207 /nfs/dbraw/zinc/59/32/07/672593207.db2.gz QODJEEPWJCTTBC-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001057213899 672593270 /nfs/dbraw/zinc/59/32/70/672593270.db2.gz QODJEEPWJCTTBC-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001057213899 672593267 /nfs/dbraw/zinc/59/32/67/672593267.db2.gz QODJEEPWJCTTBC-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057213899 672593265 /nfs/dbraw/zinc/59/32/65/672593265.db2.gz QODJEEPWJCTTBC-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001057213900 672593519 /nfs/dbraw/zinc/59/35/19/672593519.db2.gz QODJEEPWJCTTBC-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001057213900 672593516 /nfs/dbraw/zinc/59/35/16/672593516.db2.gz QODJEEPWJCTTBC-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057213900 672593513 /nfs/dbraw/zinc/59/35/13/672593513.db2.gz QODJEEPWJCTTBC-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001057213901 672593053 /nfs/dbraw/zinc/59/30/53/672593053.db2.gz QODJEEPWJCTTBC-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001057213901 672593049 /nfs/dbraw/zinc/59/30/49/672593049.db2.gz QODJEEPWJCTTBC-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057213901 672593048 /nfs/dbraw/zinc/59/30/48/672593048.db2.gz QODJEEPWJCTTBC-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057263088 672616161 /nfs/dbraw/zinc/61/61/61/672616161.db2.gz DTZIAXIGBWAQCL-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057263088 672616159 /nfs/dbraw/zinc/61/61/59/672616159.db2.gz DTZIAXIGBWAQCL-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057263088 672616156 /nfs/dbraw/zinc/61/61/56/672616156.db2.gz DTZIAXIGBWAQCL-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057263088 672616152 /nfs/dbraw/zinc/61/61/52/672616152.db2.gz DTZIAXIGBWAQCL-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057263090 672615866 /nfs/dbraw/zinc/61/58/66/672615866.db2.gz DTZIAXIGBWAQCL-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057263090 672615862 /nfs/dbraw/zinc/61/58/62/672615862.db2.gz DTZIAXIGBWAQCL-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057263090 672615860 /nfs/dbraw/zinc/61/58/60/672615860.db2.gz DTZIAXIGBWAQCL-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001057263090 672615858 /nfs/dbraw/zinc/61/58/58/672615858.db2.gz DTZIAXIGBWAQCL-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001057265166 672619549 /nfs/dbraw/zinc/61/95/49/672619549.db2.gz QVTJVUPTKFXLAE-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001057265166 672619547 /nfs/dbraw/zinc/61/95/47/672619547.db2.gz QVTJVUPTKFXLAE-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057265166 672619546 /nfs/dbraw/zinc/61/95/46/672619546.db2.gz QVTJVUPTKFXLAE-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057265166 672619544 /nfs/dbraw/zinc/61/95/44/672619544.db2.gz QVTJVUPTKFXLAE-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001057265167 672619387 /nfs/dbraw/zinc/61/93/87/672619387.db2.gz QVTJVUPTKFXLAE-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001057265167 672619382 /nfs/dbraw/zinc/61/93/82/672619382.db2.gz QVTJVUPTKFXLAE-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057265167 672619378 /nfs/dbraw/zinc/61/93/78/672619378.db2.gz QVTJVUPTKFXLAE-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057265167 672619375 /nfs/dbraw/zinc/61/93/75/672619375.db2.gz QVTJVUPTKFXLAE-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001057265168 672619642 /nfs/dbraw/zinc/61/96/42/672619642.db2.gz QVTJVUPTKFXLAE-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001057265168 672619637 /nfs/dbraw/zinc/61/96/37/672619637.db2.gz QVTJVUPTKFXLAE-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057265168 672619633 /nfs/dbraw/zinc/61/96/33/672619633.db2.gz QVTJVUPTKFXLAE-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057265168 672619629 /nfs/dbraw/zinc/61/96/29/672619629.db2.gz QVTJVUPTKFXLAE-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001057265169 672619780 /nfs/dbraw/zinc/61/97/80/672619780.db2.gz QVTJVUPTKFXLAE-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001057265169 672619778 /nfs/dbraw/zinc/61/97/78/672619778.db2.gz QVTJVUPTKFXLAE-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057265169 672619776 /nfs/dbraw/zinc/61/97/76/672619776.db2.gz QVTJVUPTKFXLAE-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057265169 672619773 /nfs/dbraw/zinc/61/97/73/672619773.db2.gz QVTJVUPTKFXLAE-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057265267 672619451 /nfs/dbraw/zinc/61/94/51/672619451.db2.gz SZHJCQFULOJQGW-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057265267 672619447 /nfs/dbraw/zinc/61/94/47/672619447.db2.gz SZHJCQFULOJQGW-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057265268 672619652 /nfs/dbraw/zinc/61/96/52/672619652.db2.gz SZHJCQFULOJQGW-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057265268 672619650 /nfs/dbraw/zinc/61/96/50/672619650.db2.gz SZHJCQFULOJQGW-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057265279 672619679 /nfs/dbraw/zinc/61/96/79/672619679.db2.gz UCQCBISQSYOZDP-CYBMUJFWSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057265279 672619676 /nfs/dbraw/zinc/61/96/76/672619676.db2.gz UCQCBISQSYOZDP-CYBMUJFWSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057265280 672620299 /nfs/dbraw/zinc/62/02/99/672620299.db2.gz UCQCBISQSYOZDP-ZDUSSCGKSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057265280 672620297 /nfs/dbraw/zinc/62/02/97/672620297.db2.gz UCQCBISQSYOZDP-ZDUSSCGKSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001057631842 672743359 /nfs/dbraw/zinc/74/33/59/672743359.db2.gz DTQQXPUSPFDBEH-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001057631842 672743356 /nfs/dbraw/zinc/74/33/56/672743356.db2.gz DTQQXPUSPFDBEH-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057631842 672743352 /nfs/dbraw/zinc/74/33/52/672743352.db2.gz DTQQXPUSPFDBEH-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001057631843 672743173 /nfs/dbraw/zinc/74/31/73/672743173.db2.gz DTQQXPUSPFDBEH-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001057631843 672743170 /nfs/dbraw/zinc/74/31/70/672743170.db2.gz DTQQXPUSPFDBEH-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057631843 672743165 /nfs/dbraw/zinc/74/31/65/672743165.db2.gz DTQQXPUSPFDBEH-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001057631844 672743415 /nfs/dbraw/zinc/74/34/15/672743415.db2.gz DTQQXPUSPFDBEH-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001057631844 672743413 /nfs/dbraw/zinc/74/34/13/672743413.db2.gz DTQQXPUSPFDBEH-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057631844 672743410 /nfs/dbraw/zinc/74/34/10/672743410.db2.gz DTQQXPUSPFDBEH-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001057631845 672743383 /nfs/dbraw/zinc/74/33/83/672743383.db2.gz DTQQXPUSPFDBEH-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001057631845 672743379 /nfs/dbraw/zinc/74/33/79/672743379.db2.gz DTQQXPUSPFDBEH-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057631845 672743377 /nfs/dbraw/zinc/74/33/77/672743377.db2.gz DTQQXPUSPFDBEH-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001057632078 672743254 /nfs/dbraw/zinc/74/32/54/672743254.db2.gz GNUXBXDRYKNVGD-AWEZNQCLSA-N 2 1 338.452 -1.029 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001057632079 672743346 /nfs/dbraw/zinc/74/33/46/672743346.db2.gz GNUXBXDRYKNVGD-CQSZACIVSA-N 2 1 338.452 -1.029 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001057632676 672744161 /nfs/dbraw/zinc/74/41/61/672744161.db2.gz UMJVQGKSUFUGBJ-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001057632676 672744159 /nfs/dbraw/zinc/74/41/59/672744159.db2.gz UMJVQGKSUFUGBJ-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057632676 672744157 /nfs/dbraw/zinc/74/41/57/672744157.db2.gz UMJVQGKSUFUGBJ-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057632676 672744155 /nfs/dbraw/zinc/74/41/55/672744155.db2.gz UMJVQGKSUFUGBJ-KBPBESRZSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001057632677 672744040 /nfs/dbraw/zinc/74/40/40/672744040.db2.gz UMJVQGKSUFUGBJ-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001057632677 672744036 /nfs/dbraw/zinc/74/40/36/672744036.db2.gz UMJVQGKSUFUGBJ-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057632677 672744033 /nfs/dbraw/zinc/74/40/33/672744033.db2.gz UMJVQGKSUFUGBJ-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001057632677 672744030 /nfs/dbraw/zinc/74/40/30/672744030.db2.gz UMJVQGKSUFUGBJ-KGLIPLIRSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001057632678 672744313 /nfs/dbraw/zinc/74/43/13/672744313.db2.gz UMJVQGKSUFUGBJ-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001057632678 672744311 /nfs/dbraw/zinc/74/43/11/672744311.db2.gz UMJVQGKSUFUGBJ-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057632678 672744308 /nfs/dbraw/zinc/74/43/08/672744308.db2.gz UMJVQGKSUFUGBJ-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057632678 672744304 /nfs/dbraw/zinc/74/43/04/672744304.db2.gz UMJVQGKSUFUGBJ-UONOGXRCSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001057632679 672744130 /nfs/dbraw/zinc/74/41/30/672744130.db2.gz UMJVQGKSUFUGBJ-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001057632679 672744126 /nfs/dbraw/zinc/74/41/26/672744126.db2.gz UMJVQGKSUFUGBJ-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057632679 672744124 /nfs/dbraw/zinc/74/41/24/672744124.db2.gz UMJVQGKSUFUGBJ-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001057632679 672744121 /nfs/dbraw/zinc/74/41/21/672744121.db2.gz UMJVQGKSUFUGBJ-ZIAGYGMSSA-N 2 1 342.440 -1.794 20 0 EAADMP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001057632795 672744058 /nfs/dbraw/zinc/74/40/58/672744058.db2.gz XYMIKPYYGXZDNN-AWEZNQCLSA-N 2 1 344.456 -1.547 20 0 EAADMP C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001057632796 672744359 /nfs/dbraw/zinc/74/43/59/672744359.db2.gz XYMIKPYYGXZDNN-CQSZACIVSA-N 2 1 344.456 -1.547 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057636409 672745921 /nfs/dbraw/zinc/74/59/21/672745921.db2.gz RCMREEPRBSFJDX-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001057636411 672745933 /nfs/dbraw/zinc/74/59/33/672745933.db2.gz RCMREEPRBSFJDX-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001057636828 672746360 /nfs/dbraw/zinc/74/63/60/672746360.db2.gz ZROQJTSKBHQQEV-KBPBESRZSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001057636828 672746359 /nfs/dbraw/zinc/74/63/59/672746359.db2.gz ZROQJTSKBHQQEV-KBPBESRZSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001057636828 672746358 /nfs/dbraw/zinc/74/63/58/672746358.db2.gz ZROQJTSKBHQQEV-KBPBESRZSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001057636829 672746270 /nfs/dbraw/zinc/74/62/70/672746270.db2.gz ZROQJTSKBHQQEV-KGLIPLIRSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001057636829 672746268 /nfs/dbraw/zinc/74/62/68/672746268.db2.gz ZROQJTSKBHQQEV-KGLIPLIRSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001057636829 672746266 /nfs/dbraw/zinc/74/62/66/672746266.db2.gz ZROQJTSKBHQQEV-KGLIPLIRSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057636830 672746327 /nfs/dbraw/zinc/74/63/27/672746327.db2.gz ZROQJTSKBHQQEV-UONOGXRCSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001057636830 672746325 /nfs/dbraw/zinc/74/63/25/672746325.db2.gz ZROQJTSKBHQQEV-UONOGXRCSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001057636830 672746324 /nfs/dbraw/zinc/74/63/24/672746324.db2.gz ZROQJTSKBHQQEV-UONOGXRCSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057636831 672746376 /nfs/dbraw/zinc/74/63/76/672746376.db2.gz ZROQJTSKBHQQEV-ZIAGYGMSSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001057636831 672746374 /nfs/dbraw/zinc/74/63/74/672746374.db2.gz ZROQJTSKBHQQEV-ZIAGYGMSSA-N 2 1 326.441 -1.173 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001057636831 672746372 /nfs/dbraw/zinc/74/63/72/672746372.db2.gz ZROQJTSKBHQQEV-ZIAGYGMSSA-N 2 1 326.441 -1.173 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057642815 672749316 /nfs/dbraw/zinc/74/93/16/672749316.db2.gz WHFIGGMSTLTYJN-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057642817 672749360 /nfs/dbraw/zinc/74/93/60/672749360.db2.gz WHFIGGMSTLTYJN-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057658897 672756633 /nfs/dbraw/zinc/75/66/33/672756633.db2.gz HEOZFZJOLAFARQ-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057658897 672756630 /nfs/dbraw/zinc/75/66/30/672756630.db2.gz HEOZFZJOLAFARQ-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057658900 672756769 /nfs/dbraw/zinc/75/67/69/672756769.db2.gz HEOZFZJOLAFARQ-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057658900 672756766 /nfs/dbraw/zinc/75/67/66/672756766.db2.gz HEOZFZJOLAFARQ-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001057790422 672900305 /nfs/dbraw/zinc/90/03/05/672900305.db2.gz GGAQCMNLXYRUCE-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001057790422 672900300 /nfs/dbraw/zinc/90/03/00/672900300.db2.gz GGAQCMNLXYRUCE-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001057790423 672900546 /nfs/dbraw/zinc/90/05/46/672900546.db2.gz GGAQCMNLXYRUCE-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001057790423 672900545 /nfs/dbraw/zinc/90/05/45/672900545.db2.gz GGAQCMNLXYRUCE-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001057863121 672922046 /nfs/dbraw/zinc/92/20/46/672922046.db2.gz GOURGIVUYQFVIT-UHFFFAOYSA-N 2 1 346.472 -1.158 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001057863271 672922034 /nfs/dbraw/zinc/92/20/34/672922034.db2.gz LQCNLLMIEYCPDE-AWEZNQCLSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001057863271 672922032 /nfs/dbraw/zinc/92/20/32/672922032.db2.gz LQCNLLMIEYCPDE-AWEZNQCLSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057863271 672922031 /nfs/dbraw/zinc/92/20/31/672922031.db2.gz LQCNLLMIEYCPDE-AWEZNQCLSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001057863271 672922029 /nfs/dbraw/zinc/92/20/29/672922029.db2.gz LQCNLLMIEYCPDE-AWEZNQCLSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001057863272 672922001 /nfs/dbraw/zinc/92/20/01/672922001.db2.gz LQCNLLMIEYCPDE-CQSZACIVSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001057863272 672922000 /nfs/dbraw/zinc/92/20/00/672922000.db2.gz LQCNLLMIEYCPDE-CQSZACIVSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001057863272 672921999 /nfs/dbraw/zinc/92/19/99/672921999.db2.gz LQCNLLMIEYCPDE-CQSZACIVSA-N 2 1 344.456 -1.406 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001057863272 672921998 /nfs/dbraw/zinc/92/19/98/672921998.db2.gz LQCNLLMIEYCPDE-CQSZACIVSA-N 2 1 344.456 -1.406 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)O1 ZINC001057973130 672947489 /nfs/dbraw/zinc/94/74/89/672947489.db2.gz MSUDTIYWTDNHRO-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)O1 ZINC001057973130 672947487 /nfs/dbraw/zinc/94/74/87/672947487.db2.gz MSUDTIYWTDNHRO-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001057974224 672947515 /nfs/dbraw/zinc/94/75/15/672947515.db2.gz NYQWOSBURMJIMW-KGLIPLIRSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001057974224 672947512 /nfs/dbraw/zinc/94/75/12/672947512.db2.gz NYQWOSBURMJIMW-KGLIPLIRSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001057974225 672947499 /nfs/dbraw/zinc/94/74/99/672947499.db2.gz NYQWOSBURMJIMW-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001057974225 672947495 /nfs/dbraw/zinc/94/74/95/672947495.db2.gz NYQWOSBURMJIMW-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC[NH+]1CCOCC1 ZINC001058097892 672980703 /nfs/dbraw/zinc/98/07/03/672980703.db2.gz XPMQJDDLDSIHQE-UHFFFAOYSA-N 2 1 344.456 -1.403 20 0 EAADMP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001058156246 672986166 /nfs/dbraw/zinc/98/61/66/672986166.db2.gz CXTLKIWYRGXXSM-AWEZNQCLSA-N 2 1 344.456 -1.547 20 0 EAADMP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001058156247 672986425 /nfs/dbraw/zinc/98/64/25/672986425.db2.gz CXTLKIWYRGXXSM-CQSZACIVSA-N 2 1 344.456 -1.547 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156400 672986815 /nfs/dbraw/zinc/98/68/15/672986815.db2.gz IMPLKAFDCXQITQ-UHFFFAOYSA-N 2 1 346.472 -1.157 20 0 EAADMP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001058156617 672987188 /nfs/dbraw/zinc/98/71/88/672987188.db2.gz PAYHUIHKRRVETB-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001058156618 672987258 /nfs/dbraw/zinc/98/72/58/672987258.db2.gz PAYHUIHKRRVETB-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058156754 672987333 /nfs/dbraw/zinc/98/73/33/672987333.db2.gz SVADUWXGHQRBJY-UHFFFAOYSA-N 2 1 346.472 -1.157 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCCN(CCO)C(=O)COCC[NH+](C)C ZINC001058158206 672988142 /nfs/dbraw/zinc/98/81/42/672988142.db2.gz SIYGHOKMWDBQJZ-UHFFFAOYSA-N 2 1 346.472 -1.158 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001058163283 672989568 /nfs/dbraw/zinc/98/95/68/672989568.db2.gz CDWLXGZRJSCEJU-AWEZNQCLSA-N 2 1 338.452 -1.029 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001058163284 672989558 /nfs/dbraw/zinc/98/95/58/672989558.db2.gz CDWLXGZRJSCEJU-CQSZACIVSA-N 2 1 338.452 -1.029 20 0 EAADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001058168648 672990266 /nfs/dbraw/zinc/99/02/66/672990266.db2.gz NYQWOSBURMJIMW-KBPBESRZSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001058168648 672990262 /nfs/dbraw/zinc/99/02/62/672990262.db2.gz NYQWOSBURMJIMW-KBPBESRZSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC001058168649 672990438 /nfs/dbraw/zinc/99/04/38/672990438.db2.gz NYQWOSBURMJIMW-UONOGXRCSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC001058168649 672990432 /nfs/dbraw/zinc/99/04/32/672990432.db2.gz NYQWOSBURMJIMW-UONOGXRCSA-N 2 1 344.456 -1.406 20 0 EAADMP CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058254039 673001920 /nfs/dbraw/zinc/00/19/20/673001920.db2.gz RUHYNBTVBPRKQQ-UHFFFAOYSA-N 2 1 346.472 -1.157 20 0 EAADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001058255238 673001714 /nfs/dbraw/zinc/00/17/14/673001714.db2.gz HZBIBFAFMKREHY-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001058255238 673001709 /nfs/dbraw/zinc/00/17/09/673001709.db2.gz HZBIBFAFMKREHY-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001058255238 673001704 /nfs/dbraw/zinc/00/17/04/673001704.db2.gz HZBIBFAFMKREHY-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001058255238 673001700 /nfs/dbraw/zinc/00/17/00/673001700.db2.gz HZBIBFAFMKREHY-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001058255239 673001903 /nfs/dbraw/zinc/00/19/03/673001903.db2.gz HZBIBFAFMKREHY-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001058255239 673001899 /nfs/dbraw/zinc/00/18/99/673001899.db2.gz HZBIBFAFMKREHY-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[N@@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001058255239 673001897 /nfs/dbraw/zinc/00/18/97/673001897.db2.gz HZBIBFAFMKREHY-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001058255239 673001893 /nfs/dbraw/zinc/00/18/93/673001893.db2.gz HZBIBFAFMKREHY-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001058607857 668740407 /nfs/dbraw/zinc/74/04/07/668740407.db2.gz REDINILLWTZPBD-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001058607857 668740403 /nfs/dbraw/zinc/74/04/03/668740403.db2.gz REDINILLWTZPBD-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001058607858 668740233 /nfs/dbraw/zinc/74/02/33/668740233.db2.gz REDINILLWTZPBD-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001058607858 668740229 /nfs/dbraw/zinc/74/02/29/668740229.db2.gz REDINILLWTZPBD-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CC[NH+]1CCOCC1 ZINC001058707562 668116070 /nfs/dbraw/zinc/11/60/70/668116070.db2.gz DFNIKRDDBMVFTC-UHFFFAOYSA-N 2 1 344.456 -1.403 20 0 EAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001058707737 668116492 /nfs/dbraw/zinc/11/64/92/668116492.db2.gz LTUKLWYCRGHVMF-CYBMUJFWSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001058707737 668116490 /nfs/dbraw/zinc/11/64/90/668116490.db2.gz LTUKLWYCRGHVMF-CYBMUJFWSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001058707738 668116601 /nfs/dbraw/zinc/11/66/01/668116601.db2.gz LTUKLWYCRGHVMF-ZDUSSCGKSA-N 2 1 330.429 -1.794 20 0 EAADMP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001058707738 668116598 /nfs/dbraw/zinc/11/65/98/668116598.db2.gz LTUKLWYCRGHVMF-ZDUSSCGKSA-N 2 1 330.429 -1.794 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)O1 ZINC001058709172 668123261 /nfs/dbraw/zinc/12/32/61/668123261.db2.gz KGPLAYQZFNLVKO-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)O1 ZINC001058709172 668123258 /nfs/dbraw/zinc/12/32/58/668123258.db2.gz KGPLAYQZFNLVKO-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710711 668128633 /nfs/dbraw/zinc/12/86/33/668128633.db2.gz LKXKEWXGDOZWEI-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710711 668128630 /nfs/dbraw/zinc/12/86/30/668128630.db2.gz LKXKEWXGDOZWEI-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710712 668128666 /nfs/dbraw/zinc/12/86/66/668128666.db2.gz LKXKEWXGDOZWEI-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710712 668128665 /nfs/dbraw/zinc/12/86/65/668128665.db2.gz LKXKEWXGDOZWEI-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)COCC[NH+](C)C ZINC001058815268 668503985 /nfs/dbraw/zinc/50/39/85/668503985.db2.gz SFXGAECLNHULRK-UHFFFAOYSA-N 2 1 346.472 -1.157 20 0 EAADMP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001058817986 668518867 /nfs/dbraw/zinc/51/88/67/668518867.db2.gz YSAMTIJLVFVAFH-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001058817986 668518866 /nfs/dbraw/zinc/51/88/66/668518866.db2.gz YSAMTIJLVFVAFH-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001058817986 668518864 /nfs/dbraw/zinc/51/88/64/668518864.db2.gz YSAMTIJLVFVAFH-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001058817986 668518862 /nfs/dbraw/zinc/51/88/62/668518862.db2.gz YSAMTIJLVFVAFH-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001058817987 668518904 /nfs/dbraw/zinc/51/89/04/668518904.db2.gz YSAMTIJLVFVAFH-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001058817987 668518902 /nfs/dbraw/zinc/51/89/02/668518902.db2.gz YSAMTIJLVFVAFH-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001058817987 668518898 /nfs/dbraw/zinc/51/88/98/668518898.db2.gz YSAMTIJLVFVAFH-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001058817987 668518896 /nfs/dbraw/zinc/51/88/96/668518896.db2.gz YSAMTIJLVFVAFH-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001061460267 669212249 /nfs/dbraw/zinc/21/22/49/669212249.db2.gz LDJWMOGCBPOTMP-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001061460267 669212244 /nfs/dbraw/zinc/21/22/44/669212244.db2.gz LDJWMOGCBPOTMP-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001061460268 669212785 /nfs/dbraw/zinc/21/27/85/669212785.db2.gz LDJWMOGCBPOTMP-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001061460268 669212781 /nfs/dbraw/zinc/21/27/81/669212781.db2.gz LDJWMOGCBPOTMP-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001061460269 669212706 /nfs/dbraw/zinc/21/27/06/669212706.db2.gz LDJWMOGCBPOTMP-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001061460269 669212702 /nfs/dbraw/zinc/21/27/02/669212702.db2.gz LDJWMOGCBPOTMP-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001061460270 669212601 /nfs/dbraw/zinc/21/26/01/669212601.db2.gz LDJWMOGCBPOTMP-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001061460270 669212597 /nfs/dbraw/zinc/21/25/97/669212597.db2.gz LDJWMOGCBPOTMP-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065008299 669748029 /nfs/dbraw/zinc/74/80/29/669748029.db2.gz AMPUPJAYCLFBBL-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001065008299 669748026 /nfs/dbraw/zinc/74/80/26/669748026.db2.gz AMPUPJAYCLFBBL-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065008300 669747656 /nfs/dbraw/zinc/74/76/56/669747656.db2.gz AMPUPJAYCLFBBL-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001065008300 669747653 /nfs/dbraw/zinc/74/76/53/669747653.db2.gz AMPUPJAYCLFBBL-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065008301 669747638 /nfs/dbraw/zinc/74/76/38/669747638.db2.gz AMPUPJAYCLFBBL-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001065008301 669747634 /nfs/dbraw/zinc/74/76/34/669747634.db2.gz AMPUPJAYCLFBBL-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001065008302 669747968 /nfs/dbraw/zinc/74/79/68/669747968.db2.gz AMPUPJAYCLFBBL-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001065008302 669747962 /nfs/dbraw/zinc/74/79/62/669747962.db2.gz AMPUPJAYCLFBBL-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001065572828 669873702 /nfs/dbraw/zinc/87/37/02/669873702.db2.gz XZTYPPRGSJMUFQ-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001065572828 669873697 /nfs/dbraw/zinc/87/36/97/669873697.db2.gz XZTYPPRGSJMUFQ-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001065572829 669873510 /nfs/dbraw/zinc/87/35/10/669873510.db2.gz XZTYPPRGSJMUFQ-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001065572829 669873504 /nfs/dbraw/zinc/87/35/04/669873504.db2.gz XZTYPPRGSJMUFQ-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001065572830 669873566 /nfs/dbraw/zinc/87/35/66/669873566.db2.gz XZTYPPRGSJMUFQ-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001065572830 669873560 /nfs/dbraw/zinc/87/35/60/669873560.db2.gz XZTYPPRGSJMUFQ-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001065572831 669873634 /nfs/dbraw/zinc/87/36/34/669873634.db2.gz XZTYPPRGSJMUFQ-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001065572831 669873631 /nfs/dbraw/zinc/87/36/31/669873631.db2.gz XZTYPPRGSJMUFQ-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928347 673156265 /nfs/dbraw/zinc/15/62/65/673156265.db2.gz ARVDOTHOJKIKBH-KFWWJZLASA-N 2 1 334.424 -1.046 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928347 673156263 /nfs/dbraw/zinc/15/62/63/673156263.db2.gz ARVDOTHOJKIKBH-KFWWJZLASA-N 2 1 334.424 -1.046 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928348 673156007 /nfs/dbraw/zinc/15/60/07/673156007.db2.gz ARVDOTHOJKIKBH-ZNMIVQPWSA-N 2 1 334.424 -1.046 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928348 673156004 /nfs/dbraw/zinc/15/60/04/673156004.db2.gz ARVDOTHOJKIKBH-ZNMIVQPWSA-N 2 1 334.424 -1.046 20 0 EAADMP NC(=O)CN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001070185213 671894106 /nfs/dbraw/zinc/89/41/06/671894106.db2.gz JNTCWASQSSMTNQ-MNOVXSKESA-N 2 1 332.368 -1.539 20 0 EAADMP C[C@H](N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070185434 671893927 /nfs/dbraw/zinc/89/39/27/671893927.db2.gz VXFFDFYRCLWPTP-TUAOUCFPSA-N 2 1 346.395 -1.151 20 0 EAADMP C[C@@H](N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070185435 671894030 /nfs/dbraw/zinc/89/40/30/671894030.db2.gz VXFFDFYRCLWPTP-UTUOFQBUSA-N 2 1 346.395 -1.151 20 0 EAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191792 671895803 /nfs/dbraw/zinc/89/58/03/671895803.db2.gz SLQGBTDLOWABFD-MCIONIFRSA-N 2 1 349.439 -1.022 20 0 EAADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191792 671895795 /nfs/dbraw/zinc/89/57/95/671895795.db2.gz SLQGBTDLOWABFD-MCIONIFRSA-N 2 1 349.439 -1.022 20 0 EAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191793 671896012 /nfs/dbraw/zinc/89/60/12/671896012.db2.gz SLQGBTDLOWABFD-RDBSUJKOSA-N 2 1 349.439 -1.022 20 0 EAADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070191793 671896008 /nfs/dbraw/zinc/89/60/08/671896008.db2.gz SLQGBTDLOWABFD-RDBSUJKOSA-N 2 1 349.439 -1.022 20 0 EAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196967 671897535 /nfs/dbraw/zinc/89/75/35/671897535.db2.gz OGIGKEQTCAOHGT-LPWJVIDDSA-N 2 1 335.412 -1.555 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070198020 671897326 /nfs/dbraw/zinc/89/73/26/671897326.db2.gz IDZNJYXBBRHILA-DGAVXFQQSA-N 2 1 349.439 -1.165 20 0 EAADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204575 671897696 /nfs/dbraw/zinc/89/76/96/671897696.db2.gz FZLBJTQCUAKIOF-MCIONIFRSA-N 2 1 349.439 -1.021 20 0 EAADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204575 671897691 /nfs/dbraw/zinc/89/76/91/671897691.db2.gz FZLBJTQCUAKIOF-MCIONIFRSA-N 2 1 349.439 -1.021 20 0 EAADMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204576 671897854 /nfs/dbraw/zinc/89/78/54/671897854.db2.gz FZLBJTQCUAKIOF-RDBSUJKOSA-N 2 1 349.439 -1.021 20 0 EAADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070204576 671897852 /nfs/dbraw/zinc/89/78/52/671897852.db2.gz FZLBJTQCUAKIOF-RDBSUJKOSA-N 2 1 349.439 -1.021 20 0 EAADMP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001070208904 671898281 /nfs/dbraw/zinc/89/82/81/671898281.db2.gz CYVVSLSIOPXAPA-OLZOCXBDSA-N 2 1 335.412 -1.411 20 0 EAADMP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070209300 671898539 /nfs/dbraw/zinc/89/85/39/671898539.db2.gz XNAJLZCXNPSYJQ-BNOWGMLFSA-N 2 1 349.439 -1.022 20 0 EAADMP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1)C(N)=O ZINC001070209301 671898512 /nfs/dbraw/zinc/89/85/12/671898512.db2.gz XNAJLZCXNPSYJQ-YUTCNCBUSA-N 2 1 349.439 -1.022 20 0 EAADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070212683 671898995 /nfs/dbraw/zinc/89/89/95/671898995.db2.gz MOQLNCHZTLTWSX-MCIONIFRSA-N 2 1 349.439 -1.021 20 0 EAADMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070212684 671899240 /nfs/dbraw/zinc/89/92/40/671899240.db2.gz MOQLNCHZTLTWSX-MJBXVCDLSA-N 2 1 349.439 -1.021 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)O1 ZINC001070217556 671899980 /nfs/dbraw/zinc/89/99/80/671899980.db2.gz IDNZWNFWQQOOLW-YIYPIFLZSA-N 2 1 338.412 -1.669 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)O1 ZINC001070217556 671899978 /nfs/dbraw/zinc/89/99/78/671899978.db2.gz IDNZWNFWQQOOLW-YIYPIFLZSA-N 2 1 338.412 -1.669 20 0 EAADMP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070225873 671901915 /nfs/dbraw/zinc/90/19/15/671901915.db2.gz ANVVZSFIURGRGG-OLZOCXBDSA-N 2 1 347.423 -1.267 20 0 EAADMP CC(C)(C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001070247799 671906720 /nfs/dbraw/zinc/90/67/20/671906720.db2.gz GBENOOYTFYPRLR-OLZOCXBDSA-N 2 1 349.439 -1.021 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070261003 671908433 /nfs/dbraw/zinc/90/84/33/671908433.db2.gz YFPIUHCRGPRZSV-FQUUOJAGSA-N 2 1 349.439 -1.165 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070274216 671910030 /nfs/dbraw/zinc/91/00/30/671910030.db2.gz XMMLTACQWJXHKP-UPJWGTAASA-N 2 1 335.412 -1.411 20 0 EAADMP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070274216 671910026 /nfs/dbraw/zinc/91/00/26/671910026.db2.gz XMMLTACQWJXHKP-UPJWGTAASA-N 2 1 335.412 -1.411 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070274217 671910347 /nfs/dbraw/zinc/91/03/47/671910347.db2.gz XMMLTACQWJXHKP-XQQFMLRXSA-N 2 1 335.412 -1.411 20 0 EAADMP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070274217 671910345 /nfs/dbraw/zinc/91/03/45/671910345.db2.gz XMMLTACQWJXHKP-XQQFMLRXSA-N 2 1 335.412 -1.411 20 0 EAADMP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275563 671910138 /nfs/dbraw/zinc/91/01/38/671910138.db2.gz SNBBOQVDNCUJJH-OLZOCXBDSA-N 2 1 349.439 -1.163 20 0 EAADMP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275563 671910134 /nfs/dbraw/zinc/91/01/34/671910134.db2.gz SNBBOQVDNCUJJH-OLZOCXBDSA-N 2 1 349.439 -1.163 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275590 671910229 /nfs/dbraw/zinc/91/02/29/671910229.db2.gz UQJSLXUPAACTHY-UPJWGTAASA-N 2 1 335.412 -1.553 20 0 EAADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275590 671910227 /nfs/dbraw/zinc/91/02/27/671910227.db2.gz UQJSLXUPAACTHY-UPJWGTAASA-N 2 1 335.412 -1.553 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275591 671910077 /nfs/dbraw/zinc/91/00/77/671910077.db2.gz UQJSLXUPAACTHY-XQQFMLRXSA-N 2 1 335.412 -1.553 20 0 EAADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070275591 671910075 /nfs/dbraw/zinc/91/00/75/671910075.db2.gz UQJSLXUPAACTHY-XQQFMLRXSA-N 2 1 335.412 -1.553 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070294974 671911449 /nfs/dbraw/zinc/91/14/49/671911449.db2.gz FJDNTUMXSIHGBX-KGLIPLIRSA-N 2 1 338.412 -1.666 20 0 EAADMP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)CC1 ZINC001070301171 671912570 /nfs/dbraw/zinc/91/25/70/671912570.db2.gz NVCHUNYKZLMHBE-KGLIPLIRSA-N 2 1 349.439 -1.163 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070310893 671913026 /nfs/dbraw/zinc/91/30/26/671913026.db2.gz ANDJEYBNRYUBEG-UPJWGTAASA-N 2 1 335.412 -1.553 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC(N)=O)[C@@H](n3ccnn3)C2)C1 ZINC001070310894 671912772 /nfs/dbraw/zinc/91/27/72/671912772.db2.gz ANDJEYBNRYUBEG-XQQFMLRXSA-N 2 1 335.412 -1.553 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070331064 671915189 /nfs/dbraw/zinc/91/51/89/671915189.db2.gz BOOWYTLJRRMDQE-HZSPNIEDSA-N 2 1 338.412 -1.667 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070331064 671915181 /nfs/dbraw/zinc/91/51/81/671915181.db2.gz BOOWYTLJRRMDQE-HZSPNIEDSA-N 2 1 338.412 -1.667 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070331065 671915327 /nfs/dbraw/zinc/91/53/27/671915327.db2.gz BOOWYTLJRRMDQE-RDBSUJKOSA-N 2 1 338.412 -1.667 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070331065 671915322 /nfs/dbraw/zinc/91/53/22/671915322.db2.gz BOOWYTLJRRMDQE-RDBSUJKOSA-N 2 1 338.412 -1.667 20 0 EAADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070332405 671915010 /nfs/dbraw/zinc/91/50/10/671915010.db2.gz BYORFUFLXCMTCF-MCIONIFRSA-N 2 1 349.439 -1.021 20 0 EAADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070332405 671915007 /nfs/dbraw/zinc/91/50/07/671915007.db2.gz BYORFUFLXCMTCF-MCIONIFRSA-N 2 1 349.439 -1.021 20 0 EAADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070332406 671915161 /nfs/dbraw/zinc/91/51/61/671915161.db2.gz BYORFUFLXCMTCF-RDBSUJKOSA-N 2 1 349.439 -1.021 20 0 EAADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001070332406 671915156 /nfs/dbraw/zinc/91/51/56/671915156.db2.gz BYORFUFLXCMTCF-RDBSUJKOSA-N 2 1 349.439 -1.021 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475568 671923816 /nfs/dbraw/zinc/92/38/16/671923816.db2.gz VSJUESFDNYMUHW-IACUBPJLSA-N 2 1 334.424 -1.116 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070475569 671924162 /nfs/dbraw/zinc/92/41/62/671924162.db2.gz VSJUESFDNYMUHW-YUTCNCBUSA-N 2 1 334.424 -1.116 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCO)c1 ZINC001070477701 671923935 /nfs/dbraw/zinc/92/39/35/671923935.db2.gz NWDWVMWNBFGBLQ-CFVMTHIKSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCO)c1 ZINC001070477701 671923931 /nfs/dbraw/zinc/92/39/31/671923931.db2.gz NWDWVMWNBFGBLQ-CFVMTHIKSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCO)c1 ZINC001070477702 671924086 /nfs/dbraw/zinc/92/40/86/671924086.db2.gz NWDWVMWNBFGBLQ-NWANDNLSSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCO)c1 ZINC001070477702 671924085 /nfs/dbraw/zinc/92/40/85/671924085.db2.gz NWDWVMWNBFGBLQ-NWANDNLSSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070563728 671928566 /nfs/dbraw/zinc/92/85/66/671928566.db2.gz IXPIOHOFCAPOQM-MBNYWOFBSA-N 2 1 334.424 -1.259 20 0 EAADMP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070563729 671928360 /nfs/dbraw/zinc/92/83/60/671928360.db2.gz IXPIOHOFCAPOQM-SGMGOOAPSA-N 2 1 334.424 -1.259 20 0 EAADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001070629540 671936352 /nfs/dbraw/zinc/93/63/52/671936352.db2.gz MFPPPJVMFBTWIS-JHJVBQTASA-N 2 1 334.424 -1.116 20 0 EAADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001070629542 671936384 /nfs/dbraw/zinc/93/63/84/671936384.db2.gz MFPPPJVMFBTWIS-UPJWGTAASA-N 2 1 334.424 -1.116 20 0 EAADMP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070719155 671944164 /nfs/dbraw/zinc/94/41/64/671944164.db2.gz URDBROYUGMFASN-JHJVBQTASA-N 2 1 334.424 -1.259 20 0 EAADMP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070719156 671944268 /nfs/dbraw/zinc/94/42/68/671944268.db2.gz URDBROYUGMFASN-YNEHKIRRSA-N 2 1 334.424 -1.259 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CCC(=O)NCC[N@H+](CCCO)CC2)C1 ZINC001071020790 686482760 /nfs/dbraw/zinc/48/27/60/686482760.db2.gz VLVPPRUAHFXIJD-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CCC(=O)NCC[N@@H+](CCCO)CC2)C1 ZINC001071020790 686482758 /nfs/dbraw/zinc/48/27/58/686482758.db2.gz VLVPPRUAHFXIJD-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)C1 ZINC001071020790 686482753 /nfs/dbraw/zinc/48/27/53/686482753.db2.gz VLVPPRUAHFXIJD-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)C1 ZINC001071020790 686482749 /nfs/dbraw/zinc/48/27/49/686482749.db2.gz VLVPPRUAHFXIJD-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CCC(=O)NCC[N@H+](CCCO)CC2)C1 ZINC001071020791 686482682 /nfs/dbraw/zinc/48/26/82/686482682.db2.gz VLVPPRUAHFXIJD-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CCC(=O)NCC[N@@H+](CCCO)CC2)C1 ZINC001071020791 686482681 /nfs/dbraw/zinc/48/26/81/686482681.db2.gz VLVPPRUAHFXIJD-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)C1 ZINC001071020791 686482674 /nfs/dbraw/zinc/48/26/74/686482674.db2.gz VLVPPRUAHFXIJD-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCC(=O)NCC[NH+](CCCO)CC2)C1 ZINC001071020791 686482671 /nfs/dbraw/zinc/48/26/71/686482671.db2.gz VLVPPRUAHFXIJD-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP C[C@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020818 686482838 /nfs/dbraw/zinc/48/28/38/686482838.db2.gz WWUWCEGTMWDEJW-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020818 686482837 /nfs/dbraw/zinc/48/28/37/686482837.db2.gz WWUWCEGTMWDEJW-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020818 686482834 /nfs/dbraw/zinc/48/28/34/686482834.db2.gz WWUWCEGTMWDEJW-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020818 686482831 /nfs/dbraw/zinc/48/28/31/686482831.db2.gz WWUWCEGTMWDEJW-KBPBESRZSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020819 686482704 /nfs/dbraw/zinc/48/27/04/686482704.db2.gz WWUWCEGTMWDEJW-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020819 686482702 /nfs/dbraw/zinc/48/27/02/686482702.db2.gz WWUWCEGTMWDEJW-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020819 686482697 /nfs/dbraw/zinc/48/26/97/686482697.db2.gz WWUWCEGTMWDEJW-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020819 686482692 /nfs/dbraw/zinc/48/26/92/686482692.db2.gz WWUWCEGTMWDEJW-KGLIPLIRSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020820 686482628 /nfs/dbraw/zinc/48/26/28/686482628.db2.gz WWUWCEGTMWDEJW-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020820 686482625 /nfs/dbraw/zinc/48/26/25/686482625.db2.gz WWUWCEGTMWDEJW-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020820 686482622 /nfs/dbraw/zinc/48/26/22/686482622.db2.gz WWUWCEGTMWDEJW-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020820 686482619 /nfs/dbraw/zinc/48/26/19/686482619.db2.gz WWUWCEGTMWDEJW-UONOGXRCSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020821 686482332 /nfs/dbraw/zinc/48/23/32/686482332.db2.gz WWUWCEGTMWDEJW-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020821 686482329 /nfs/dbraw/zinc/48/23/29/686482329.db2.gz WWUWCEGTMWDEJW-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020821 686482323 /nfs/dbraw/zinc/48/23/23/686482323.db2.gz WWUWCEGTMWDEJW-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020821 686482320 /nfs/dbraw/zinc/48/23/20/686482320.db2.gz WWUWCEGTMWDEJW-ZIAGYGMSSA-N 2 1 326.441 -1.031 20 0 EAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)COCC[NH+](C)C ZINC001076027792 685228389 /nfs/dbraw/zinc/22/83/89/685228389.db2.gz ZINXVNHDKWXXRZ-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)COCC[NH+](C)C ZINC001076027792 685228386 /nfs/dbraw/zinc/22/83/86/685228386.db2.gz ZINXVNHDKWXXRZ-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)NC(=O)COCC[NH+](C)C ZINC001076027793 685227841 /nfs/dbraw/zinc/22/78/41/685227841.db2.gz ZINXVNHDKWXXRZ-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)NC(=O)COCC[NH+](C)C ZINC001076027793 685227838 /nfs/dbraw/zinc/22/78/38/685227838.db2.gz ZINXVNHDKWXXRZ-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838907 685294387 /nfs/dbraw/zinc/29/43/87/685294387.db2.gz RPWOOCRHVSCHLX-KFWWJZLASA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838907 685294384 /nfs/dbraw/zinc/29/43/84/685294384.db2.gz RPWOOCRHVSCHLX-KFWWJZLASA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838907 685294382 /nfs/dbraw/zinc/29/43/82/685294382.db2.gz RPWOOCRHVSCHLX-KFWWJZLASA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838907 685294381 /nfs/dbraw/zinc/29/43/81/685294381.db2.gz RPWOOCRHVSCHLX-KFWWJZLASA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838908 685294370 /nfs/dbraw/zinc/29/43/70/685294370.db2.gz RPWOOCRHVSCHLX-RBSFLKMASA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838908 685294368 /nfs/dbraw/zinc/29/43/68/685294368.db2.gz RPWOOCRHVSCHLX-RBSFLKMASA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838908 685294364 /nfs/dbraw/zinc/29/43/64/685294364.db2.gz RPWOOCRHVSCHLX-RBSFLKMASA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001076838908 685294363 /nfs/dbraw/zinc/29/43/63/685294363.db2.gz RPWOOCRHVSCHLX-RBSFLKMASA-N 2 1 327.425 -1.095 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002721 685330918 /nfs/dbraw/zinc/33/09/18/685330918.db2.gz FDJPVVXIVRKMPV-RBSFLKMASA-N 2 1 334.424 -1.219 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002721 685330915 /nfs/dbraw/zinc/33/09/15/685330915.db2.gz FDJPVVXIVRKMPV-RBSFLKMASA-N 2 1 334.424 -1.219 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002722 685331131 /nfs/dbraw/zinc/33/11/31/685331131.db2.gz FDJPVVXIVRKMPV-RRFJBIMHSA-N 2 1 334.424 -1.219 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002722 685331124 /nfs/dbraw/zinc/33/11/24/685331124.db2.gz FDJPVVXIVRKMPV-RRFJBIMHSA-N 2 1 334.424 -1.219 20 0 EAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014093 685333653 /nfs/dbraw/zinc/33/36/53/685333653.db2.gz CHFBVVQMCWTDAX-IACUBPJLSA-N 2 1 325.413 -1.400 20 0 EAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014094 685334144 /nfs/dbraw/zinc/33/41/44/685334144.db2.gz CHFBVVQMCWTDAX-MRVWCRGKSA-N 2 1 325.413 -1.400 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)n1 ZINC001077014317 685333853 /nfs/dbraw/zinc/33/38/53/685333853.db2.gz PMLZKMOSHUAQFM-ZIAGYGMSSA-N 2 1 325.413 -1.398 20 0 EAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014399 685333644 /nfs/dbraw/zinc/33/36/44/685333644.db2.gz URWHUBUNCZEKSE-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014399 685333641 /nfs/dbraw/zinc/33/36/41/685333641.db2.gz URWHUBUNCZEKSE-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC1 ZINC001077015370 685333706 /nfs/dbraw/zinc/33/37/06/685333706.db2.gz QZKGSGVEZYUYEI-FPCVCCKLSA-N 2 1 341.452 -1.113 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077023632 685336309 /nfs/dbraw/zinc/33/63/09/685336309.db2.gz LDLVMCGYXWFTDE-AAVRWANBSA-N 2 1 339.440 -1.487 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077023632 685336303 /nfs/dbraw/zinc/33/63/03/685336303.db2.gz LDLVMCGYXWFTDE-AAVRWANBSA-N 2 1 339.440 -1.487 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077023632 685336295 /nfs/dbraw/zinc/33/62/95/685336295.db2.gz LDLVMCGYXWFTDE-AAVRWANBSA-N 2 1 339.440 -1.487 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077023632 685336288 /nfs/dbraw/zinc/33/62/88/685336288.db2.gz LDLVMCGYXWFTDE-AAVRWANBSA-N 2 1 339.440 -1.487 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001077128765 685353854 /nfs/dbraw/zinc/35/38/54/685353854.db2.gz DAAMLTWYFCYTMT-QLFBSQMISA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128765 685353847 /nfs/dbraw/zinc/35/38/47/685353847.db2.gz DAAMLTWYFCYTMT-QLFBSQMISA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077128765 685353841 /nfs/dbraw/zinc/35/38/41/685353841.db2.gz DAAMLTWYFCYTMT-QLFBSQMISA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077128765 685353831 /nfs/dbraw/zinc/35/38/31/685353831.db2.gz DAAMLTWYFCYTMT-QLFBSQMISA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001077128766 685353899 /nfs/dbraw/zinc/35/38/99/685353899.db2.gz DAAMLTWYFCYTMT-RBSFLKMASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001077128766 685353892 /nfs/dbraw/zinc/35/38/92/685353892.db2.gz DAAMLTWYFCYTMT-RBSFLKMASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077128766 685353887 /nfs/dbraw/zinc/35/38/87/685353887.db2.gz DAAMLTWYFCYTMT-RBSFLKMASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077128766 685353880 /nfs/dbraw/zinc/35/38/80/685353880.db2.gz DAAMLTWYFCYTMT-RBSFLKMASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077417912 685419200 /nfs/dbraw/zinc/41/92/00/685419200.db2.gz DJHFYAWMDGZECG-NTTUHNMPSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077417912 685419199 /nfs/dbraw/zinc/41/91/99/685419199.db2.gz DJHFYAWMDGZECG-NTTUHNMPSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417912 685419195 /nfs/dbraw/zinc/41/91/95/685419195.db2.gz DJHFYAWMDGZECG-NTTUHNMPSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001077417913 685419438 /nfs/dbraw/zinc/41/94/38/685419438.db2.gz DJHFYAWMDGZECG-WBDXWENLSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001077417913 685419435 /nfs/dbraw/zinc/41/94/35/685419435.db2.gz DJHFYAWMDGZECG-WBDXWENLSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417913 685419430 /nfs/dbraw/zinc/41/94/30/685419430.db2.gz DJHFYAWMDGZECG-WBDXWENLSA-N 2 1 325.409 -1.607 20 0 EAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418658 685419336 /nfs/dbraw/zinc/41/93/36/685419336.db2.gz VBSLMGPZYGOSTJ-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418658 685419334 /nfs/dbraw/zinc/41/93/34/685419334.db2.gz VBSLMGPZYGOSTJ-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418658 685419328 /nfs/dbraw/zinc/41/93/28/685419328.db2.gz VBSLMGPZYGOSTJ-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418658 685419326 /nfs/dbraw/zinc/41/93/26/685419326.db2.gz VBSLMGPZYGOSTJ-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418659 685419561 /nfs/dbraw/zinc/41/95/61/685419561.db2.gz VBSLMGPZYGOSTJ-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418659 685419556 /nfs/dbraw/zinc/41/95/56/685419556.db2.gz VBSLMGPZYGOSTJ-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418659 685419551 /nfs/dbraw/zinc/41/95/51/685419551.db2.gz VBSLMGPZYGOSTJ-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418659 685419545 /nfs/dbraw/zinc/41/95/45/685419545.db2.gz VBSLMGPZYGOSTJ-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001077494378 685557766 /nfs/dbraw/zinc/55/77/66/685557766.db2.gz LTPUPOJUQRMGLI-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001077494378 685557764 /nfs/dbraw/zinc/55/77/64/685557764.db2.gz LTPUPOJUQRMGLI-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001077494379 685558114 /nfs/dbraw/zinc/55/81/14/685558114.db2.gz LTPUPOJUQRMGLI-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001077494379 685558110 /nfs/dbraw/zinc/55/81/10/685558110.db2.gz LTPUPOJUQRMGLI-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001077571033 685602804 /nfs/dbraw/zinc/60/28/04/685602804.db2.gz GITILKINBAKQJO-IGQOVBAYSA-N 2 1 326.441 -1.034 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001077618280 685615803 /nfs/dbraw/zinc/61/58/03/685615803.db2.gz FFRBOQXWCXGNEG-ZIAGYGMSSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001077618280 685615797 /nfs/dbraw/zinc/61/57/97/685615797.db2.gz FFRBOQXWCXGNEG-ZIAGYGMSSA-N 2 1 339.440 -1.485 20 0 EAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817142 685644666 /nfs/dbraw/zinc/64/46/66/685644666.db2.gz PLJOSYGAUBUYHL-IACUBPJLSA-N 2 1 325.413 -1.400 20 0 EAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817143 685644625 /nfs/dbraw/zinc/64/46/25/685644625.db2.gz PLJOSYGAUBUYHL-MRVWCRGKSA-N 2 1 325.413 -1.400 20 0 EAADMP COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817144 685644721 /nfs/dbraw/zinc/64/47/21/685644721.db2.gz PQXGAAZVSXBQKZ-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817144 685644717 /nfs/dbraw/zinc/64/47/17/685644717.db2.gz PQXGAAZVSXBQKZ-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001077818215 685645377 /nfs/dbraw/zinc/64/53/77/685645377.db2.gz KRMREXGGIWKSER-ZIAGYGMSSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005824 685675667 /nfs/dbraw/zinc/67/56/67/685675667.db2.gz JXGLXKCLNBWING-BFHYXJOUSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005824 685675661 /nfs/dbraw/zinc/67/56/61/685675661.db2.gz JXGLXKCLNBWING-BFHYXJOUSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005824 685675656 /nfs/dbraw/zinc/67/56/56/685675656.db2.gz JXGLXKCLNBWING-BFHYXJOUSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005824 685675650 /nfs/dbraw/zinc/67/56/50/685675650.db2.gz JXGLXKCLNBWING-BFHYXJOUSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005825 685675138 /nfs/dbraw/zinc/67/51/38/685675138.db2.gz JXGLXKCLNBWING-MGPQQGTHSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005825 685675133 /nfs/dbraw/zinc/67/51/33/685675133.db2.gz JXGLXKCLNBWING-MGPQQGTHSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005825 685675129 /nfs/dbraw/zinc/67/51/29/685675129.db2.gz JXGLXKCLNBWING-MGPQQGTHSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078005825 685675124 /nfs/dbraw/zinc/67/51/24/685675124.db2.gz JXGLXKCLNBWING-MGPQQGTHSA-N 2 1 339.440 -1.485 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011739 685676016 /nfs/dbraw/zinc/67/60/16/685676016.db2.gz FKPHPUXJZKBGEK-RBSFLKMASA-N 2 1 349.435 -1.499 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011740 685676470 /nfs/dbraw/zinc/67/64/70/685676470.db2.gz FKPHPUXJZKBGEK-RRFJBIMHSA-N 2 1 349.435 -1.499 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011751 685676751 /nfs/dbraw/zinc/67/67/51/685676751.db2.gz FWNUNQOJWPCTBP-ZIAGYGMSSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011751 685676749 /nfs/dbraw/zinc/67/67/49/685676749.db2.gz FWNUNQOJWPCTBP-ZIAGYGMSSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012008 685676223 /nfs/dbraw/zinc/67/62/23/685676223.db2.gz QVRZWHWEAZZNAS-CHWSQXEVSA-N 2 1 337.424 -1.731 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012008 685676217 /nfs/dbraw/zinc/67/62/17/685676217.db2.gz QVRZWHWEAZZNAS-CHWSQXEVSA-N 2 1 337.424 -1.731 20 0 EAADMP Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078083271 685684874 /nfs/dbraw/zinc/68/48/74/685684874.db2.gz PMRCDHFDFNXLAF-BPLDGKMQSA-N 2 1 348.407 -1.320 20 0 EAADMP Cc1nc[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078083272 685684930 /nfs/dbraw/zinc/68/49/30/685684930.db2.gz PMRCDHFDFNXLAF-NWANDNLSSA-N 2 1 348.407 -1.320 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174412 685707062 /nfs/dbraw/zinc/70/70/62/685707062.db2.gz KQAPNULSIOATKL-JHJVBQTASA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174412 685707060 /nfs/dbraw/zinc/70/70/60/685707060.db2.gz KQAPNULSIOATKL-JHJVBQTASA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174412 685707059 /nfs/dbraw/zinc/70/70/59/685707059.db2.gz KQAPNULSIOATKL-JHJVBQTASA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174412 685707057 /nfs/dbraw/zinc/70/70/57/685707057.db2.gz KQAPNULSIOATKL-JHJVBQTASA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174413 685707006 /nfs/dbraw/zinc/70/70/06/685707006.db2.gz KQAPNULSIOATKL-YNEHKIRRSA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174413 685707001 /nfs/dbraw/zinc/70/70/01/685707001.db2.gz KQAPNULSIOATKL-YNEHKIRRSA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174413 685706998 /nfs/dbraw/zinc/70/69/98/685706998.db2.gz KQAPNULSIOATKL-YNEHKIRRSA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2O)C1 ZINC001078174413 685706995 /nfs/dbraw/zinc/70/69/95/685706995.db2.gz KQAPNULSIOATKL-YNEHKIRRSA-N 2 1 325.413 -1.875 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001078174810 685707197 /nfs/dbraw/zinc/70/71/97/685707197.db2.gz UAGRJZVMROOXSS-RBSFLKMASA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001078174810 685707191 /nfs/dbraw/zinc/70/71/91/685707191.db2.gz UAGRJZVMROOXSS-RBSFLKMASA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001078174810 685707188 /nfs/dbraw/zinc/70/71/88/685707188.db2.gz UAGRJZVMROOXSS-RBSFLKMASA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1=O ZINC001078174811 685707156 /nfs/dbraw/zinc/70/71/56/685707156.db2.gz UAGRJZVMROOXSS-RRFJBIMHSA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1=O ZINC001078174811 685707155 /nfs/dbraw/zinc/70/71/55/685707155.db2.gz UAGRJZVMROOXSS-RRFJBIMHSA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1=O ZINC001078174811 685707151 /nfs/dbraw/zinc/70/71/51/685707151.db2.gz UAGRJZVMROOXSS-RRFJBIMHSA-N 2 1 334.420 -1.002 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175025 685706663 /nfs/dbraw/zinc/70/66/63/685706663.db2.gz VCBLFZSFKWRRHC-IJLUTSLNSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175025 685706659 /nfs/dbraw/zinc/70/66/59/685706659.db2.gz VCBLFZSFKWRRHC-IJLUTSLNSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175025 685706653 /nfs/dbraw/zinc/70/66/53/685706653.db2.gz VCBLFZSFKWRRHC-IJLUTSLNSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175025 685706649 /nfs/dbraw/zinc/70/66/49/685706649.db2.gz VCBLFZSFKWRRHC-IJLUTSLNSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175029 685706685 /nfs/dbraw/zinc/70/66/85/685706685.db2.gz VCBLFZSFKWRRHC-QJPTWQEYSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175029 685706683 /nfs/dbraw/zinc/70/66/83/685706683.db2.gz VCBLFZSFKWRRHC-QJPTWQEYSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175029 685706680 /nfs/dbraw/zinc/70/66/80/685706680.db2.gz VCBLFZSFKWRRHC-QJPTWQEYSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]2O)C1 ZINC001078175029 685706677 /nfs/dbraw/zinc/70/66/77/685706677.db2.gz VCBLFZSFKWRRHC-QJPTWQEYSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175902 685703532 /nfs/dbraw/zinc/70/35/32/685703532.db2.gz RJORJBNZYDALJI-JHJVBQTASA-N 2 1 338.408 -1.752 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175902 685703531 /nfs/dbraw/zinc/70/35/31/685703531.db2.gz RJORJBNZYDALJI-JHJVBQTASA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175902 685703528 /nfs/dbraw/zinc/70/35/28/685703528.db2.gz RJORJBNZYDALJI-JHJVBQTASA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175902 685703525 /nfs/dbraw/zinc/70/35/25/685703525.db2.gz RJORJBNZYDALJI-JHJVBQTASA-N 2 1 338.408 -1.752 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175903 685703588 /nfs/dbraw/zinc/70/35/88/685703588.db2.gz RJORJBNZYDALJI-YNEHKIRRSA-N 2 1 338.408 -1.752 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175903 685703584 /nfs/dbraw/zinc/70/35/84/685703584.db2.gz RJORJBNZYDALJI-YNEHKIRRSA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175903 685703582 /nfs/dbraw/zinc/70/35/82/685703582.db2.gz RJORJBNZYDALJI-YNEHKIRRSA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]2O)C1 ZINC001078175903 685703578 /nfs/dbraw/zinc/70/35/78/685703578.db2.gz RJORJBNZYDALJI-YNEHKIRRSA-N 2 1 338.408 -1.752 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078182411 685711282 /nfs/dbraw/zinc/71/12/82/685711282.db2.gz UMHLCRLKNJWTCG-RBSFLKMASA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001078182411 685711279 /nfs/dbraw/zinc/71/12/79/685711279.db2.gz UMHLCRLKNJWTCG-RBSFLKMASA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078182412 685710832 /nfs/dbraw/zinc/71/08/32/685710832.db2.gz UMHLCRLKNJWTCG-RRFJBIMHSA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001078182412 685710828 /nfs/dbraw/zinc/71/08/28/685710828.db2.gz UMHLCRLKNJWTCG-RRFJBIMHSA-N 2 1 348.407 -1.390 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508362 685745591 /nfs/dbraw/zinc/74/55/91/685745591.db2.gz NIJMVKWMXQWZJO-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508362 685745588 /nfs/dbraw/zinc/74/55/88/685745588.db2.gz NIJMVKWMXQWZJO-CHWSQXEVSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508363 685745991 /nfs/dbraw/zinc/74/59/91/685745991.db2.gz NIJMVKWMXQWZJO-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508363 685745989 /nfs/dbraw/zinc/74/59/89/685745989.db2.gz NIJMVKWMXQWZJO-OLZOCXBDSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508364 685745794 /nfs/dbraw/zinc/74/57/94/685745794.db2.gz NIJMVKWMXQWZJO-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508364 685745788 /nfs/dbraw/zinc/74/57/88/685745788.db2.gz NIJMVKWMXQWZJO-QWHCGFSZSA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001078508365 685745570 /nfs/dbraw/zinc/74/55/70/685745570.db2.gz NIJMVKWMXQWZJO-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078508365 685745568 /nfs/dbraw/zinc/74/55/68/685745568.db2.gz NIJMVKWMXQWZJO-STQMWFEESA-N 2 1 337.428 -1.131 20 0 EAADMP C[NH+](C)CCC(=O)NCCCCC[NH+]1CCN(C(=O)C(N)=O)CC1 ZINC001079165624 685806803 /nfs/dbraw/zinc/80/68/03/685806803.db2.gz AZGBDCSRABZUDD-UHFFFAOYSA-N 2 1 341.456 -1.146 20 0 EAADMP C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526958 685822920 /nfs/dbraw/zinc/82/29/20/685822920.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079526958 685822914 /nfs/dbraw/zinc/82/29/14/685822914.db2.gz XYBBFNUGPSKJDS-MCIONIFRSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526959 685823004 /nfs/dbraw/zinc/82/30/04/685823004.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079526959 685822999 /nfs/dbraw/zinc/82/29/99/685822999.db2.gz XYBBFNUGPSKJDS-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935942 685902131 /nfs/dbraw/zinc/90/21/31/685902131.db2.gz AJVZKYIDNLQAOW-FRRDWIJNSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935942 685902130 /nfs/dbraw/zinc/90/21/30/685902130.db2.gz AJVZKYIDNLQAOW-FRRDWIJNSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935942 685902128 /nfs/dbraw/zinc/90/21/28/685902128.db2.gz AJVZKYIDNLQAOW-FRRDWIJNSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935943 685901946 /nfs/dbraw/zinc/90/19/46/685901946.db2.gz AJVZKYIDNLQAOW-JHJVBQTASA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935943 685901942 /nfs/dbraw/zinc/90/19/42/685901942.db2.gz AJVZKYIDNLQAOW-JHJVBQTASA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935943 685901940 /nfs/dbraw/zinc/90/19/40/685901940.db2.gz AJVZKYIDNLQAOW-JHJVBQTASA-N 2 1 337.424 -1.074 20 0 EAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686372 686128445 /nfs/dbraw/zinc/12/84/45/686128445.db2.gz SBAVQOIFDKNCFB-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686372 686128441 /nfs/dbraw/zinc/12/84/41/686128441.db2.gz SBAVQOIFDKNCFB-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959279 686221092 /nfs/dbraw/zinc/22/10/92/686221092.db2.gz BOLJPLKYWCRSTD-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959279 686221089 /nfs/dbraw/zinc/22/10/89/686221089.db2.gz BOLJPLKYWCRSTD-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959279 686221087 /nfs/dbraw/zinc/22/10/87/686221087.db2.gz BOLJPLKYWCRSTD-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959279 686221084 /nfs/dbraw/zinc/22/10/84/686221084.db2.gz BOLJPLKYWCRSTD-NTTUHNMPSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001081959280 686221192 /nfs/dbraw/zinc/22/11/92/686221192.db2.gz BOLJPLKYWCRSTD-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[NH+](CCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001081959280 686221189 /nfs/dbraw/zinc/22/11/89/686221189.db2.gz BOLJPLKYWCRSTD-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959280 686221187 /nfs/dbraw/zinc/22/11/87/686221187.db2.gz BOLJPLKYWCRSTD-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959280 686221184 /nfs/dbraw/zinc/22/11/84/686221184.db2.gz BOLJPLKYWCRSTD-WBDXWENLSA-N 2 1 325.409 -1.343 20 0 EAADMP CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223430 686239881 /nfs/dbraw/zinc/23/98/81/686239881.db2.gz VZMOHYVPIJZHHT-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223430 686239876 /nfs/dbraw/zinc/23/98/76/686239876.db2.gz VZMOHYVPIJZHHT-ZIAGYGMSSA-N 2 1 325.413 -1.134 20 0 EAADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001082368788 686253575 /nfs/dbraw/zinc/25/35/75/686253575.db2.gz NBSWFJQMVPFXHW-BFHYXJOUSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001082368788 686253572 /nfs/dbraw/zinc/25/35/72/686253572.db2.gz NBSWFJQMVPFXHW-BFHYXJOUSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368788 686253569 /nfs/dbraw/zinc/25/35/69/686253569.db2.gz NBSWFJQMVPFXHW-BFHYXJOUSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368788 686253566 /nfs/dbraw/zinc/25/35/66/686253566.db2.gz NBSWFJQMVPFXHW-BFHYXJOUSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001082368789 686253600 /nfs/dbraw/zinc/25/36/00/686253600.db2.gz NBSWFJQMVPFXHW-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001082368789 686253595 /nfs/dbraw/zinc/25/35/95/686253595.db2.gz NBSWFJQMVPFXHW-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368789 686253593 /nfs/dbraw/zinc/25/35/93/686253593.db2.gz NBSWFJQMVPFXHW-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368789 686253591 /nfs/dbraw/zinc/25/35/91/686253591.db2.gz NBSWFJQMVPFXHW-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082459180 686257275 /nfs/dbraw/zinc/25/72/75/686257275.db2.gz QKMQEXGTCFUVAB-MCIONIFRSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082459180 686257270 /nfs/dbraw/zinc/25/72/70/686257270.db2.gz QKMQEXGTCFUVAB-MCIONIFRSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082459181 686256825 /nfs/dbraw/zinc/25/68/25/686256825.db2.gz QKMQEXGTCFUVAB-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082459181 686256818 /nfs/dbraw/zinc/25/68/18/686256818.db2.gz QKMQEXGTCFUVAB-MGPQQGTHSA-N 2 1 339.440 -1.221 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082920885 686264096 /nfs/dbraw/zinc/26/40/96/686264096.db2.gz KHWIQDXIIUYCQJ-FRRDWIJNSA-N 2 1 337.424 -1.074 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082920886 686263992 /nfs/dbraw/zinc/26/39/92/686263992.db2.gz KHWIQDXIIUYCQJ-JHJVBQTASA-N 2 1 337.424 -1.074 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)n1 ZINC001083084809 686279919 /nfs/dbraw/zinc/27/99/19/686279919.db2.gz HUDOXGICQBALMM-LSDHHAIUSA-N 2 1 337.424 -1.038 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)n1 ZINC001083084809 686279915 /nfs/dbraw/zinc/27/99/15/686279915.db2.gz HUDOXGICQBALMM-LSDHHAIUSA-N 2 1 337.424 -1.038 20 0 EAADMP O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083149056 686285577 /nfs/dbraw/zinc/28/55/77/686285577.db2.gz WPRONMRJPMERIM-HJTLVLNNSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083149056 686285575 /nfs/dbraw/zinc/28/55/75/686285575.db2.gz WPRONMRJPMERIM-HJTLVLNNSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083149056 686285570 /nfs/dbraw/zinc/28/55/70/686285570.db2.gz WPRONMRJPMERIM-HJTLVLNNSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083149056 686285565 /nfs/dbraw/zinc/28/55/65/686285565.db2.gz WPRONMRJPMERIM-HJTLVLNNSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083149057 686285131 /nfs/dbraw/zinc/28/51/31/686285131.db2.gz WPRONMRJPMERIM-IIQDSTNVSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[NH+](CCO)C[C@@H]21 ZINC001083149057 686285127 /nfs/dbraw/zinc/28/51/27/686285127.db2.gz WPRONMRJPMERIM-IIQDSTNVSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@H+](CCO)C[C@@H]21 ZINC001083149057 686285123 /nfs/dbraw/zinc/28/51/23/686285123.db2.gz WPRONMRJPMERIM-IIQDSTNVSA-N 2 1 337.420 -1.247 20 0 EAADMP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCO[C@@H]2C[N@@H+](CCO)C[C@@H]21 ZINC001083149057 686285118 /nfs/dbraw/zinc/28/51/18/686285118.db2.gz WPRONMRJPMERIM-IIQDSTNVSA-N 2 1 337.420 -1.247 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cn1 ZINC001083221016 685061895 /nfs/dbraw/zinc/06/18/95/685061895.db2.gz GFXCGBMFJMROCJ-LSDHHAIUSA-N 2 1 337.424 -1.038 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cn1 ZINC001083221016 685061890 /nfs/dbraw/zinc/06/18/90/685061890.db2.gz GFXCGBMFJMROCJ-LSDHHAIUSA-N 2 1 337.424 -1.038 20 0 EAADMP O=C(N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249450 685075424 /nfs/dbraw/zinc/07/54/24/685075424.db2.gz FURHDBLVTLWVSQ-HZSPNIEDSA-N 2 1 334.420 -1.118 20 0 EAADMP O=C(N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249450 685075418 /nfs/dbraw/zinc/07/54/18/685075418.db2.gz FURHDBLVTLWVSQ-HZSPNIEDSA-N 2 1 334.420 -1.118 20 0 EAADMP O=C(N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249451 685075561 /nfs/dbraw/zinc/07/55/61/685075561.db2.gz FURHDBLVTLWVSQ-MELADBBJSA-N 2 1 334.420 -1.118 20 0 EAADMP O=C(N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249451 685075556 /nfs/dbraw/zinc/07/55/56/685075556.db2.gz FURHDBLVTLWVSQ-MELADBBJSA-N 2 1 334.420 -1.118 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385562 685141786 /nfs/dbraw/zinc/14/17/86/685141786.db2.gz RPWOOCRHVSCHLX-ILXRZTDVSA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385562 685141782 /nfs/dbraw/zinc/14/17/82/685141782.db2.gz RPWOOCRHVSCHLX-ILXRZTDVSA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385562 685141780 /nfs/dbraw/zinc/14/17/80/685141780.db2.gz RPWOOCRHVSCHLX-ILXRZTDVSA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385562 685141777 /nfs/dbraw/zinc/14/17/77/685141777.db2.gz RPWOOCRHVSCHLX-ILXRZTDVSA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385563 685141758 /nfs/dbraw/zinc/14/17/58/685141758.db2.gz RPWOOCRHVSCHLX-QLFBSQMISA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385563 685141755 /nfs/dbraw/zinc/14/17/55/685141755.db2.gz RPWOOCRHVSCHLX-QLFBSQMISA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385563 685141752 /nfs/dbraw/zinc/14/17/52/685141752.db2.gz RPWOOCRHVSCHLX-QLFBSQMISA-N 2 1 327.425 -1.095 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083385563 685141747 /nfs/dbraw/zinc/14/17/47/685141747.db2.gz RPWOOCRHVSCHLX-QLFBSQMISA-N 2 1 327.425 -1.095 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466069 685199685 /nfs/dbraw/zinc/19/96/85/685199685.db2.gz FDJPVVXIVRKMPV-KFWWJZLASA-N 2 1 334.424 -1.219 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083466069 685199683 /nfs/dbraw/zinc/19/96/83/685199683.db2.gz FDJPVVXIVRKMPV-KFWWJZLASA-N 2 1 334.424 -1.219 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466070 685199338 /nfs/dbraw/zinc/19/93/38/685199338.db2.gz FDJPVVXIVRKMPV-ZNMIVQPWSA-N 2 1 334.424 -1.219 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083466070 685199336 /nfs/dbraw/zinc/19/93/36/685199336.db2.gz FDJPVVXIVRKMPV-ZNMIVQPWSA-N 2 1 334.424 -1.219 20 0 EAADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2O)CC1 ZINC001083469939 685200798 /nfs/dbraw/zinc/20/07/98/685200798.db2.gz QZKGSGVEZYUYEI-WCVJEAGWSA-N 2 1 341.452 -1.113 20 0 EAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470168 685200644 /nfs/dbraw/zinc/20/06/44/685200644.db2.gz CHFBVVQMCWTDAX-BNOWGMLFSA-N 2 1 325.413 -1.400 20 0 EAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470169 685200659 /nfs/dbraw/zinc/20/06/59/685200659.db2.gz CHFBVVQMCWTDAX-YUTCNCBUSA-N 2 1 325.413 -1.400 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001083470391 685200767 /nfs/dbraw/zinc/20/07/67/685200767.db2.gz PMLZKMOSHUAQFM-KGLIPLIRSA-N 2 1 325.413 -1.398 20 0 EAADMP COCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470474 685200982 /nfs/dbraw/zinc/20/09/82/685200982.db2.gz URWHUBUNCZEKSE-KGLIPLIRSA-N 2 1 325.413 -1.134 20 0 EAADMP COCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470474 685200979 /nfs/dbraw/zinc/20/09/79/685200979.db2.gz URWHUBUNCZEKSE-KGLIPLIRSA-N 2 1 325.413 -1.134 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472679 685203459 /nfs/dbraw/zinc/20/34/59/685203459.db2.gz LDLVMCGYXWFTDE-SYQHCUMBSA-N 2 1 339.440 -1.487 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472679 685203455 /nfs/dbraw/zinc/20/34/55/685203455.db2.gz LDLVMCGYXWFTDE-SYQHCUMBSA-N 2 1 339.440 -1.487 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083472679 685203452 /nfs/dbraw/zinc/20/34/52/685203452.db2.gz LDLVMCGYXWFTDE-SYQHCUMBSA-N 2 1 339.440 -1.487 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083472679 685203445 /nfs/dbraw/zinc/20/34/45/685203445.db2.gz LDLVMCGYXWFTDE-SYQHCUMBSA-N 2 1 339.440 -1.487 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001083522927 685220167 /nfs/dbraw/zinc/22/01/67/685220167.db2.gz DAAMLTWYFCYTMT-ILXRZTDVSA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083522927 685220162 /nfs/dbraw/zinc/22/01/62/685220162.db2.gz DAAMLTWYFCYTMT-ILXRZTDVSA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083522927 685220157 /nfs/dbraw/zinc/22/01/57/685220157.db2.gz DAAMLTWYFCYTMT-ILXRZTDVSA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083522927 685220154 /nfs/dbraw/zinc/22/01/54/685220154.db2.gz DAAMLTWYFCYTMT-ILXRZTDVSA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001083522928 685220189 /nfs/dbraw/zinc/22/01/89/685220189.db2.gz DAAMLTWYFCYTMT-KFWWJZLASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCO)C[C@@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001083522928 685220185 /nfs/dbraw/zinc/22/01/85/685220185.db2.gz DAAMLTWYFCYTMT-KFWWJZLASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCO)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083522928 685220182 /nfs/dbraw/zinc/22/01/82/685220182.db2.gz DAAMLTWYFCYTMT-KFWWJZLASA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083522928 685220181 /nfs/dbraw/zinc/22/01/81/685220181.db2.gz DAAMLTWYFCYTMT-KFWWJZLASA-N 2 1 327.425 -1.217 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001083645929 685449528 /nfs/dbraw/zinc/44/95/28/685449528.db2.gz BUVATGVEBFCWCM-OLZOCXBDSA-N 2 1 349.391 -1.498 20 0 EAADMP Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001083646337 685449680 /nfs/dbraw/zinc/44/96/80/685449680.db2.gz YDTCGVUHIAZQCP-KFWWJZLASA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1cncn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001083646338 685449487 /nfs/dbraw/zinc/44/94/87/685449487.db2.gz YDTCGVUHIAZQCP-ZNMIVQPWSA-N 2 1 348.407 -1.390 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@@H]1O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654733 685452050 /nfs/dbraw/zinc/45/20/50/685452050.db2.gz DJHFYAWMDGZECG-MXIHSMQYSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@@H]1O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654733 685452045 /nfs/dbraw/zinc/45/20/45/685452045.db2.gz DJHFYAWMDGZECG-MXIHSMQYSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@@H]1O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001083654734 685452512 /nfs/dbraw/zinc/45/25/12/685452512.db2.gz DJHFYAWMDGZECG-NHGZVPIDSA-N 2 1 325.409 -1.607 20 0 EAADMP O=C(N[C@@H]1C[NH+](CCCO)C[C@@H]1O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001083654734 685452509 /nfs/dbraw/zinc/45/25/09/685452509.db2.gz DJHFYAWMDGZECG-NHGZVPIDSA-N 2 1 325.409 -1.607 20 0 EAADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655087 685452267 /nfs/dbraw/zinc/45/22/67/685452267.db2.gz VBSLMGPZYGOSTJ-MXIHSMQYSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655087 685452263 /nfs/dbraw/zinc/45/22/63/685452263.db2.gz VBSLMGPZYGOSTJ-MXIHSMQYSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655087 685452257 /nfs/dbraw/zinc/45/22/57/685452257.db2.gz VBSLMGPZYGOSTJ-MXIHSMQYSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655087 685452254 /nfs/dbraw/zinc/45/22/54/685452254.db2.gz VBSLMGPZYGOSTJ-MXIHSMQYSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655088 685452350 /nfs/dbraw/zinc/45/23/50/685452350.db2.gz VBSLMGPZYGOSTJ-NHGZVPIDSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655088 685452344 /nfs/dbraw/zinc/45/23/44/685452344.db2.gz VBSLMGPZYGOSTJ-NHGZVPIDSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655088 685452337 /nfs/dbraw/zinc/45/23/37/685452337.db2.gz VBSLMGPZYGOSTJ-NHGZVPIDSA-N 2 1 325.409 -1.343 20 0 EAADMP COCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655088 685452333 /nfs/dbraw/zinc/45/23/33/685452333.db2.gz VBSLMGPZYGOSTJ-NHGZVPIDSA-N 2 1 325.409 -1.343 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001083726993 685584275 /nfs/dbraw/zinc/58/42/75/685584275.db2.gz GITILKINBAKQJO-FQUUOJAGSA-N 2 1 326.441 -1.034 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001083749542 685594919 /nfs/dbraw/zinc/59/49/19/685594919.db2.gz FFRBOQXWCXGNEG-KGLIPLIRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001083749542 685594913 /nfs/dbraw/zinc/59/49/13/685594913.db2.gz FFRBOQXWCXGNEG-KGLIPLIRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083781800 685608215 /nfs/dbraw/zinc/60/82/15/685608215.db2.gz WFHFATHZYOHFBQ-MCIONIFRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083781801 685608127 /nfs/dbraw/zinc/60/81/27/685608127.db2.gz WFHFATHZYOHFBQ-MJBXVCDLSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001083851056 685774924 /nfs/dbraw/zinc/77/49/24/685774924.db2.gz KRMREXGGIWKSER-KGLIPLIRSA-N 2 1 325.413 -1.398 20 0 EAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851151 685774472 /nfs/dbraw/zinc/77/44/72/685774472.db2.gz PLJOSYGAUBUYHL-BNOWGMLFSA-N 2 1 325.413 -1.400 20 0 EAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851152 685774488 /nfs/dbraw/zinc/77/44/88/685774488.db2.gz PLJOSYGAUBUYHL-YUTCNCBUSA-N 2 1 325.413 -1.400 20 0 EAADMP COCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851154 685774785 /nfs/dbraw/zinc/77/47/85/685774785.db2.gz PQXGAAZVSXBQKZ-KGLIPLIRSA-N 2 1 325.413 -1.134 20 0 EAADMP COCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851154 685774778 /nfs/dbraw/zinc/77/47/78/685774778.db2.gz PQXGAAZVSXBQKZ-KGLIPLIRSA-N 2 1 325.413 -1.134 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954082 686296715 /nfs/dbraw/zinc/29/67/15/686296715.db2.gz JXGLXKCLNBWING-MCIONIFRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954082 686296711 /nfs/dbraw/zinc/29/67/11/686296711.db2.gz JXGLXKCLNBWING-MCIONIFRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954082 686296704 /nfs/dbraw/zinc/29/67/04/686296704.db2.gz JXGLXKCLNBWING-MCIONIFRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954082 686296700 /nfs/dbraw/zinc/29/67/00/686296700.db2.gz JXGLXKCLNBWING-MCIONIFRSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954083 686297283 /nfs/dbraw/zinc/29/72/83/686297283.db2.gz JXGLXKCLNBWING-MJBXVCDLSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954083 686297279 /nfs/dbraw/zinc/29/72/79/686297279.db2.gz JXGLXKCLNBWING-MJBXVCDLSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954083 686297275 /nfs/dbraw/zinc/29/72/75/686297275.db2.gz JXGLXKCLNBWING-MJBXVCDLSA-N 2 1 339.440 -1.485 20 0 EAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001083954083 686297273 /nfs/dbraw/zinc/29/72/73/686297273.db2.gz JXGLXKCLNBWING-MJBXVCDLSA-N 2 1 339.440 -1.485 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957555 686298370 /nfs/dbraw/zinc/29/83/70/686298370.db2.gz FKPHPUXJZKBGEK-KFWWJZLASA-N 2 1 349.435 -1.499 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957556 686298332 /nfs/dbraw/zinc/29/83/32/686298332.db2.gz FKPHPUXJZKBGEK-ZNMIVQPWSA-N 2 1 349.435 -1.499 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957570 686298436 /nfs/dbraw/zinc/29/84/36/686298436.db2.gz FWNUNQOJWPCTBP-KGLIPLIRSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083957570 686298434 /nfs/dbraw/zinc/29/84/34/686298434.db2.gz FWNUNQOJWPCTBP-KGLIPLIRSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959312 686298772 /nfs/dbraw/zinc/29/87/72/686298772.db2.gz QVRZWHWEAZZNAS-OLZOCXBDSA-N 2 1 337.424 -1.731 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959312 686298767 /nfs/dbraw/zinc/29/87/67/686298767.db2.gz QVRZWHWEAZZNAS-OLZOCXBDSA-N 2 1 337.424 -1.731 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053134 686321990 /nfs/dbraw/zinc/32/19/90/686321990.db2.gz UAGRJZVMROOXSS-KFWWJZLASA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053134 686321985 /nfs/dbraw/zinc/32/19/85/686321985.db2.gz UAGRJZVMROOXSS-KFWWJZLASA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053134 686321977 /nfs/dbraw/zinc/32/19/77/686321977.db2.gz UAGRJZVMROOXSS-KFWWJZLASA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053135 686321218 /nfs/dbraw/zinc/32/12/18/686321218.db2.gz UAGRJZVMROOXSS-ZNMIVQPWSA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[NH+]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053135 686321211 /nfs/dbraw/zinc/32/12/11/686321211.db2.gz UAGRJZVMROOXSS-ZNMIVQPWSA-N 2 1 334.420 -1.002 20 0 EAADMP Cn1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1=O ZINC001084053135 686321204 /nfs/dbraw/zinc/32/12/04/686321204.db2.gz UAGRJZVMROOXSS-ZNMIVQPWSA-N 2 1 334.420 -1.002 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053772 686322291 /nfs/dbraw/zinc/32/22/91/686322291.db2.gz KQAPNULSIOATKL-UPJWGTAASA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053772 686322283 /nfs/dbraw/zinc/32/22/83/686322283.db2.gz KQAPNULSIOATKL-UPJWGTAASA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053772 686322277 /nfs/dbraw/zinc/32/22/77/686322277.db2.gz KQAPNULSIOATKL-UPJWGTAASA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053772 686322271 /nfs/dbraw/zinc/32/22/71/686322271.db2.gz KQAPNULSIOATKL-UPJWGTAASA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053773 686322237 /nfs/dbraw/zinc/32/22/37/686322237.db2.gz KQAPNULSIOATKL-XQQFMLRXSA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053773 686322231 /nfs/dbraw/zinc/32/22/31/686322231.db2.gz KQAPNULSIOATKL-XQQFMLRXSA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053773 686322224 /nfs/dbraw/zinc/32/22/24/686322224.db2.gz KQAPNULSIOATKL-XQQFMLRXSA-N 2 1 325.413 -1.875 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2O)C1 ZINC001084053773 686322217 /nfs/dbraw/zinc/32/22/17/686322217.db2.gz KQAPNULSIOATKL-XQQFMLRXSA-N 2 1 325.413 -1.875 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054061 686322195 /nfs/dbraw/zinc/32/21/95/686322195.db2.gz VCBLFZSFKWRRHC-TUAOUCFPSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054061 686322189 /nfs/dbraw/zinc/32/21/89/686322189.db2.gz VCBLFZSFKWRRHC-TUAOUCFPSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054061 686322180 /nfs/dbraw/zinc/32/21/80/686322180.db2.gz VCBLFZSFKWRRHC-TUAOUCFPSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054061 686322175 /nfs/dbraw/zinc/32/21/75/686322175.db2.gz VCBLFZSFKWRRHC-TUAOUCFPSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054062 686321625 /nfs/dbraw/zinc/32/16/25/686321625.db2.gz VCBLFZSFKWRRHC-UTUOFQBUSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054062 686321618 /nfs/dbraw/zinc/32/16/18/686321618.db2.gz VCBLFZSFKWRRHC-UTUOFQBUSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054062 686321611 /nfs/dbraw/zinc/32/16/11/686321611.db2.gz VCBLFZSFKWRRHC-UTUOFQBUSA-N 2 1 339.396 -2.349 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2O)C1 ZINC001084054062 686321606 /nfs/dbraw/zinc/32/16/06/686321606.db2.gz VCBLFZSFKWRRHC-UTUOFQBUSA-N 2 1 339.396 -2.349 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056875 686323175 /nfs/dbraw/zinc/32/31/75/686323175.db2.gz RJORJBNZYDALJI-UPJWGTAASA-N 2 1 338.408 -1.752 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056875 686323168 /nfs/dbraw/zinc/32/31/68/686323168.db2.gz RJORJBNZYDALJI-UPJWGTAASA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056875 686323162 /nfs/dbraw/zinc/32/31/62/686323162.db2.gz RJORJBNZYDALJI-UPJWGTAASA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056875 686323155 /nfs/dbraw/zinc/32/31/55/686323155.db2.gz RJORJBNZYDALJI-UPJWGTAASA-N 2 1 338.408 -1.752 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056876 686323113 /nfs/dbraw/zinc/32/31/13/686323113.db2.gz RJORJBNZYDALJI-XQQFMLRXSA-N 2 1 338.408 -1.752 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056876 686323106 /nfs/dbraw/zinc/32/31/06/686323106.db2.gz RJORJBNZYDALJI-XQQFMLRXSA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056876 686323100 /nfs/dbraw/zinc/32/31/00/686323100.db2.gz RJORJBNZYDALJI-XQQFMLRXSA-N 2 1 338.408 -1.752 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2O)C1 ZINC001084056876 686323093 /nfs/dbraw/zinc/32/30/93/686323093.db2.gz RJORJBNZYDALJI-XQQFMLRXSA-N 2 1 338.408 -1.752 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001084060354 686324765 /nfs/dbraw/zinc/32/47/65/686324765.db2.gz UMHLCRLKNJWTCG-KFWWJZLASA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001084060354 686324759 /nfs/dbraw/zinc/32/47/59/686324759.db2.gz UMHLCRLKNJWTCG-KFWWJZLASA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001084060355 686324844 /nfs/dbraw/zinc/32/48/44/686324844.db2.gz UMHLCRLKNJWTCG-ZNMIVQPWSA-N 2 1 348.407 -1.390 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001084060355 686324838 /nfs/dbraw/zinc/32/48/38/686324838.db2.gz UMHLCRLKNJWTCG-ZNMIVQPWSA-N 2 1 348.407 -1.390 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086052499 686388145 /nfs/dbraw/zinc/38/81/45/686388145.db2.gz MITDIQNWABPDQF-HZSPNIEDSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086052499 686388138 /nfs/dbraw/zinc/38/81/38/686388138.db2.gz MITDIQNWABPDQF-HZSPNIEDSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086052500 686388441 /nfs/dbraw/zinc/38/84/41/686388441.db2.gz MITDIQNWABPDQF-MJBXVCDLSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086052500 686388433 /nfs/dbraw/zinc/38/84/33/686388433.db2.gz MITDIQNWABPDQF-MJBXVCDLSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052927 686388091 /nfs/dbraw/zinc/38/80/91/686388091.db2.gz ZXKUSZXECRCTNP-QNWHQSFQSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052927 686388082 /nfs/dbraw/zinc/38/80/82/686388082.db2.gz ZXKUSZXECRCTNP-QNWHQSFQSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052928 686388316 /nfs/dbraw/zinc/38/83/16/686388316.db2.gz ZXKUSZXECRCTNP-RNJOBUHISA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052928 686388312 /nfs/dbraw/zinc/38/83/12/686388312.db2.gz ZXKUSZXECRCTNP-RNJOBUHISA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052929 686388191 /nfs/dbraw/zinc/38/81/91/686388191.db2.gz ZXKUSZXECRCTNP-XQHKEYJVSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052929 686388186 /nfs/dbraw/zinc/38/81/86/686388186.db2.gz ZXKUSZXECRCTNP-XQHKEYJVSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052930 686387643 /nfs/dbraw/zinc/38/76/43/686387643.db2.gz ZXKUSZXECRCTNP-YVECIDJPSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086052930 686387634 /nfs/dbraw/zinc/38/76/34/686387634.db2.gz ZXKUSZXECRCTNP-YVECIDJPSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086270681 686395256 /nfs/dbraw/zinc/39/52/56/686395256.db2.gz PMFLXEWXAOGYPA-RWMBFGLXSA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086270682 686395272 /nfs/dbraw/zinc/39/52/72/686395272.db2.gz PMFLXEWXAOGYPA-UPJWGTAASA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332267 686398129 /nfs/dbraw/zinc/39/81/29/686398129.db2.gz ZXKUSZXECRCTNP-CYDGBPFRSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332267 686398121 /nfs/dbraw/zinc/39/81/21/686398121.db2.gz ZXKUSZXECRCTNP-CYDGBPFRSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332268 686397367 /nfs/dbraw/zinc/39/73/67/686397367.db2.gz ZXKUSZXECRCTNP-FDYHWXHSSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332268 686397360 /nfs/dbraw/zinc/39/73/60/686397360.db2.gz ZXKUSZXECRCTNP-FDYHWXHSSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332269 686398174 /nfs/dbraw/zinc/39/81/74/686398174.db2.gz ZXKUSZXECRCTNP-LPWJVIDDSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332269 686398169 /nfs/dbraw/zinc/39/81/69/686398169.db2.gz ZXKUSZXECRCTNP-LPWJVIDDSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332270 686397305 /nfs/dbraw/zinc/39/73/05/686397305.db2.gz ZXKUSZXECRCTNP-ZDEQEGDKSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001086332270 686397302 /nfs/dbraw/zinc/39/73/02/686397302.db2.gz ZXKUSZXECRCTNP-ZDEQEGDKSA-N 2 1 338.408 -1.393 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086333361 686397341 /nfs/dbraw/zinc/39/73/41/686397341.db2.gz MITDIQNWABPDQF-IHRRRGAJSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086333361 686397333 /nfs/dbraw/zinc/39/73/33/686397333.db2.gz MITDIQNWABPDQF-IHRRRGAJSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086333362 686397592 /nfs/dbraw/zinc/39/75/92/686397592.db2.gz MITDIQNWABPDQF-MGPQQGTHSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086333362 686397583 /nfs/dbraw/zinc/39/75/83/686397583.db2.gz MITDIQNWABPDQF-MGPQQGTHSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086551913 686407171 /nfs/dbraw/zinc/40/71/71/686407171.db2.gz PMFLXEWXAOGYPA-AVGNSLFASA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001086551914 686407000 /nfs/dbraw/zinc/40/70/00/686407000.db2.gz PMFLXEWXAOGYPA-JHJVBQTASA-N 2 1 337.424 -1.026 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086970785 686410408 /nfs/dbraw/zinc/41/04/08/686410408.db2.gz HWKIGYDYLUSZIY-BFHYXJOUSA-N 2 1 334.424 -1.116 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086970786 686410526 /nfs/dbraw/zinc/41/05/26/686410526.db2.gz HWKIGYDYLUSZIY-MJBXVCDLSA-N 2 1 334.424 -1.116 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCO)cn1 ZINC001086973226 686411610 /nfs/dbraw/zinc/41/16/10/686411610.db2.gz VHLMUGGLCBQERO-RRFJBIMHSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCO)cn1 ZINC001086973226 686411608 /nfs/dbraw/zinc/41/16/08/686411608.db2.gz VHLMUGGLCBQERO-RRFJBIMHSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]2[NH2+]CCO)cn1 ZINC001086973227 686411237 /nfs/dbraw/zinc/41/12/37/686411237.db2.gz VHLMUGGLCBQERO-ZNMIVQPWSA-N 2 1 337.424 -1.373 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]2[NH2+]CCO)cn1 ZINC001086973227 686411233 /nfs/dbraw/zinc/41/12/33/686411233.db2.gz VHLMUGGLCBQERO-ZNMIVQPWSA-N 2 1 337.424 -1.373 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086987876 686412284 /nfs/dbraw/zinc/41/22/84/686412284.db2.gz RZMSMDUUNNZXJC-UONOGXRCSA-N 2 1 345.407 -1.005 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087009547 686414977 /nfs/dbraw/zinc/41/49/77/686414977.db2.gz LWVMHHSURBWWNZ-FPMFFAJLSA-N 2 1 334.424 -1.259 20 0 EAADMP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087009548 686415007 /nfs/dbraw/zinc/41/50/07/686415007.db2.gz LWVMHHSURBWWNZ-KWCYVHTRSA-N 2 1 334.424 -1.259 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001087009614 686414632 /nfs/dbraw/zinc/41/46/32/686414632.db2.gz PMWLUBWLDVICKR-UONOGXRCSA-N 2 1 345.407 -1.005 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+][C@@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262225 685084214 /nfs/dbraw/zinc/08/42/14/685084214.db2.gz VAJUPNDVXBOQDG-CMPLNLGQSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+][C@@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262225 685084209 /nfs/dbraw/zinc/08/42/09/685084209.db2.gz VAJUPNDVXBOQDG-CMPLNLGQSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+][C@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262226 685083927 /nfs/dbraw/zinc/08/39/27/685083927.db2.gz VAJUPNDVXBOQDG-JQWIXIFHSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+][C@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262226 685083924 /nfs/dbraw/zinc/08/39/24/685083924.db2.gz VAJUPNDVXBOQDG-JQWIXIFHSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+][C@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262227 685083951 /nfs/dbraw/zinc/08/39/51/685083951.db2.gz VAJUPNDVXBOQDG-PWSUYJOCSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+][C@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262227 685083949 /nfs/dbraw/zinc/08/39/49/685083949.db2.gz VAJUPNDVXBOQDG-PWSUYJOCSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+][C@@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262228 685084016 /nfs/dbraw/zinc/08/40/16/685084016.db2.gz VAJUPNDVXBOQDG-ZYHUDNBSSA-N 2 1 348.407 -1.272 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+][C@@H]3CCNC3=O)cc(=O)[nH]2)C1 ZINC001087262228 685084011 /nfs/dbraw/zinc/08/40/11/685084011.db2.gz VAJUPNDVXBOQDG-ZYHUDNBSSA-N 2 1 348.407 -1.272 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)n1 ZINC001090272697 786275662 /nfs/dbraw/zinc/27/56/62/786275662.db2.gz QZJXYHPFRKJUBW-DZGCQCFKSA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001090272698 786276136 /nfs/dbraw/zinc/27/61/36/786276136.db2.gz QZJXYHPFRKJUBW-HIFRSBDPSA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)n1 ZINC001090272699 786276068 /nfs/dbraw/zinc/27/60/68/786276068.db2.gz QZJXYHPFRKJUBW-UKRRQHHQSA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)n1 ZINC001090272700 786275989 /nfs/dbraw/zinc/27/59/89/786275989.db2.gz QZJXYHPFRKJUBW-ZFWWWQNUSA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090274431 786277057 /nfs/dbraw/zinc/27/70/57/786277057.db2.gz WINNXJQKMFFYNX-GXTWGEPZSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090274435 786276691 /nfs/dbraw/zinc/27/66/91/786276691.db2.gz WINNXJQKMFFYNX-JSGCOSHPSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)n1 ZINC001090274439 786276929 /nfs/dbraw/zinc/27/69/29/786276929.db2.gz WINNXJQKMFFYNX-OCCSQVGLSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)n1 ZINC001090274442 786277066 /nfs/dbraw/zinc/27/70/66/786277066.db2.gz WINNXJQKMFFYNX-TZMCWYRMSA-N 2 1 325.413 -1.398 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540745 787344549 /nfs/dbraw/zinc/34/45/49/787344549.db2.gz QSBWFFSPDFAVDJ-KBPBESRZSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540745 787344546 /nfs/dbraw/zinc/34/45/46/787344546.db2.gz QSBWFFSPDFAVDJ-KBPBESRZSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540747 787345495 /nfs/dbraw/zinc/34/54/95/787345495.db2.gz QSBWFFSPDFAVDJ-KGLIPLIRSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540747 787345486 /nfs/dbraw/zinc/34/54/86/787345486.db2.gz QSBWFFSPDFAVDJ-KGLIPLIRSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540749 787344639 /nfs/dbraw/zinc/34/46/39/787344639.db2.gz QSBWFFSPDFAVDJ-UONOGXRCSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540749 787344632 /nfs/dbraw/zinc/34/46/32/787344632.db2.gz QSBWFFSPDFAVDJ-UONOGXRCSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540751 787345087 /nfs/dbraw/zinc/34/50/87/787345087.db2.gz QSBWFFSPDFAVDJ-ZIAGYGMSSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540751 787345077 /nfs/dbraw/zinc/34/50/77/787345077.db2.gz QSBWFFSPDFAVDJ-ZIAGYGMSSA-N 2 1 326.441 -1.032 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090638730 787371270 /nfs/dbraw/zinc/37/12/70/787371270.db2.gz ROACVKKRJJKMQU-KBPBESRZSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@@H]2O)cn1 ZINC001090638731 787371383 /nfs/dbraw/zinc/37/13/83/787371383.db2.gz ROACVKKRJJKMQU-KGLIPLIRSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090638732 787373062 /nfs/dbraw/zinc/37/30/62/787373062.db2.gz ROACVKKRJJKMQU-UONOGXRCSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCO)C[C@H]2O)cn1 ZINC001090638733 787371464 /nfs/dbraw/zinc/37/14/64/787371464.db2.gz ROACVKKRJJKMQU-ZIAGYGMSSA-N 2 1 325.413 -1.398 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001090639763 787374320 /nfs/dbraw/zinc/37/43/20/787374320.db2.gz ZOTYFCUHCILINQ-CABCVRRESA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@@H]2O)cn1 ZINC001090639764 787374866 /nfs/dbraw/zinc/37/48/66/787374866.db2.gz ZOTYFCUHCILINQ-GJZGRUSLSA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001090639765 787375259 /nfs/dbraw/zinc/37/52/59/787375259.db2.gz ZOTYFCUHCILINQ-HUUCEWRRSA-N 2 1 339.440 -1.008 20 0 EAADMP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2O)cn1 ZINC001090639767 787375468 /nfs/dbraw/zinc/37/54/68/787375468.db2.gz ZOTYFCUHCILINQ-LSDHHAIUSA-N 2 1 339.440 -1.008 20 0 EAADMP O=C(C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N1CCC1 ZINC001090730225 787411333 /nfs/dbraw/zinc/41/13/33/787411333.db2.gz IKEQWTBZBBAAGL-KBPBESRZSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N1CCC1 ZINC001090730225 787411329 /nfs/dbraw/zinc/41/13/29/787411329.db2.gz IKEQWTBZBBAAGL-KBPBESRZSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N1CCC1 ZINC001090730226 787411032 /nfs/dbraw/zinc/41/10/32/787411032.db2.gz IKEQWTBZBBAAGL-KGLIPLIRSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)N1CCC1 ZINC001090730226 787411028 /nfs/dbraw/zinc/41/10/28/787411028.db2.gz IKEQWTBZBBAAGL-KGLIPLIRSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC001090730227 787410764 /nfs/dbraw/zinc/41/07/64/787410764.db2.gz IKEQWTBZBBAAGL-UONOGXRCSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC001090730227 787410760 /nfs/dbraw/zinc/41/07/60/787410760.db2.gz IKEQWTBZBBAAGL-UONOGXRCSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC001090730228 787410594 /nfs/dbraw/zinc/41/05/94/787410594.db2.gz IKEQWTBZBBAAGL-ZIAGYGMSSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1)N1CCC1 ZINC001090730228 787410584 /nfs/dbraw/zinc/41/05/84/787410584.db2.gz IKEQWTBZBBAAGL-ZIAGYGMSSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731071 787410965 /nfs/dbraw/zinc/41/09/65/787410965.db2.gz PPOUDNCMNMDDSO-KBPBESRZSA-N 2 1 334.424 -1.075 20 0 EAADMP O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731089 787411551 /nfs/dbraw/zinc/41/15/51/787411551.db2.gz PPOUDNCMNMDDSO-KGLIPLIRSA-N 2 1 334.424 -1.075 20 0 EAADMP O=C(N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731098 787410733 /nfs/dbraw/zinc/41/07/33/787410733.db2.gz PPOUDNCMNMDDSO-UONOGXRCSA-N 2 1 334.424 -1.075 20 0 EAADMP O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731103 787411718 /nfs/dbraw/zinc/41/17/18/787411718.db2.gz PPOUDNCMNMDDSO-ZIAGYGMSSA-N 2 1 334.424 -1.075 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815228 787431446 /nfs/dbraw/zinc/43/14/46/787431446.db2.gz NMVGHQLQIXKGIP-KBPBESRZSA-N 2 1 339.440 -1.341 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001090815229 787430914 /nfs/dbraw/zinc/43/09/14/787430914.db2.gz NMVGHQLQIXKGIP-KGLIPLIRSA-N 2 1 339.440 -1.341 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815230 787431631 /nfs/dbraw/zinc/43/16/31/787431631.db2.gz NMVGHQLQIXKGIP-UONOGXRCSA-N 2 1 339.440 -1.341 20 0 EAADMP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001090815231 787431739 /nfs/dbraw/zinc/43/17/39/787431739.db2.gz NMVGHQLQIXKGIP-ZIAGYGMSSA-N 2 1 339.440 -1.341 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001090970775 787447385 /nfs/dbraw/zinc/44/73/85/787447385.db2.gz MITDIQNWABPDQF-JXQTWKCFSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001090970775 787447378 /nfs/dbraw/zinc/44/73/78/787447378.db2.gz MITDIQNWABPDQF-JXQTWKCFSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001090970777 787447031 /nfs/dbraw/zinc/44/70/31/787447031.db2.gz MITDIQNWABPDQF-RUXDESIVSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001090970777 787447024 /nfs/dbraw/zinc/44/70/24/787447024.db2.gz MITDIQNWABPDQF-RUXDESIVSA-N 2 1 339.440 -1.173 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001091364841 787493221 /nfs/dbraw/zinc/49/32/21/787493221.db2.gz PMFLXEWXAOGYPA-CPCZMJQVSA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001091364842 787493447 /nfs/dbraw/zinc/49/34/47/787493447.db2.gz PMFLXEWXAOGYPA-OTTFEQOBSA-N 2 1 337.424 -1.026 20 0 EAADMP C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2=O)C1 ZINC001094805969 787798179 /nfs/dbraw/zinc/79/81/79/787798179.db2.gz FEIBSVXEIORZLB-CHWSQXEVSA-N 2 1 336.436 -1.136 20 0 EAADMP C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2=O)C1 ZINC001094805970 787797947 /nfs/dbraw/zinc/79/79/47/787797947.db2.gz FEIBSVXEIORZLB-OLZOCXBDSA-N 2 1 336.436 -1.136 20 0 EAADMP C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2=O)C1 ZINC001094805971 787798219 /nfs/dbraw/zinc/79/82/19/787798219.db2.gz FEIBSVXEIORZLB-QWHCGFSZSA-N 2 1 336.436 -1.136 20 0 EAADMP C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)CC2=O)C1 ZINC001094805972 787797736 /nfs/dbraw/zinc/79/77/36/787797736.db2.gz FEIBSVXEIORZLB-STQMWFEESA-N 2 1 336.436 -1.136 20 0 EAADMP O=C(N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806627 787797854 /nfs/dbraw/zinc/79/78/54/787797854.db2.gz VOXGBRAKSICYJS-CYBMUJFWSA-N 2 1 336.436 -1.134 20 0 EAADMP O=C(N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806628 787798072 /nfs/dbraw/zinc/79/80/72/787798072.db2.gz VOXGBRAKSICYJS-ZDUSSCGKSA-N 2 1 336.436 -1.134 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)O1 ZINC001098404374 786447897 /nfs/dbraw/zinc/44/78/97/786447897.db2.gz KEFRMCDGMJCSSU-UKRRQHHQSA-N 2 1 329.441 -1.017 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)O1 ZINC001098404374 786447893 /nfs/dbraw/zinc/44/78/93/786447893.db2.gz KEFRMCDGMJCSSU-UKRRQHHQSA-N 2 1 329.441 -1.017 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)O1 ZINC001098404680 786447748 /nfs/dbraw/zinc/44/77/48/786447748.db2.gz SCGRPKLBXRGZTK-TZMCWYRMSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)O1 ZINC001098404680 786447743 /nfs/dbraw/zinc/44/77/43/786447743.db2.gz SCGRPKLBXRGZTK-TZMCWYRMSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)O1 ZINC001098404680 786447741 /nfs/dbraw/zinc/44/77/41/786447741.db2.gz SCGRPKLBXRGZTK-TZMCWYRMSA-N 2 1 342.440 -1.524 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)O1 ZINC001098404680 786447737 /nfs/dbraw/zinc/44/77/37/786447737.db2.gz SCGRPKLBXRGZTK-TZMCWYRMSA-N 2 1 342.440 -1.524 20 0 EAADMP C[NH+](C)CCC(=O)N1CCC([N@@H+](CCO)CC(=O)NC(N)=O)CC1 ZINC001098467806 786759248 /nfs/dbraw/zinc/75/92/48/786759248.db2.gz WPNRAKVEWHTJBD-UHFFFAOYSA-N 2 1 343.428 -1.582 20 0 EAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098478938 787139079 /nfs/dbraw/zinc/13/90/79/787139079.db2.gz KWWFHYYLQXDMLS-GXTWGEPZSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098478938 787139076 /nfs/dbraw/zinc/13/90/76/787139076.db2.gz KWWFHYYLQXDMLS-GXTWGEPZSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478938 787139071 /nfs/dbraw/zinc/13/90/71/787139071.db2.gz KWWFHYYLQXDMLS-GXTWGEPZSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098478939 787139961 /nfs/dbraw/zinc/13/99/61/787139961.db2.gz KWWFHYYLQXDMLS-JSGCOSHPSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098478939 787139954 /nfs/dbraw/zinc/13/99/54/787139954.db2.gz KWWFHYYLQXDMLS-JSGCOSHPSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478939 787139953 /nfs/dbraw/zinc/13/99/53/787139953.db2.gz KWWFHYYLQXDMLS-JSGCOSHPSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098478940 787139226 /nfs/dbraw/zinc/13/92/26/787139226.db2.gz KWWFHYYLQXDMLS-OCCSQVGLSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098478940 787139218 /nfs/dbraw/zinc/13/92/18/787139218.db2.gz KWWFHYYLQXDMLS-OCCSQVGLSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478940 787139215 /nfs/dbraw/zinc/13/92/15/787139215.db2.gz KWWFHYYLQXDMLS-OCCSQVGLSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098478941 787139870 /nfs/dbraw/zinc/13/98/70/787139870.db2.gz KWWFHYYLQXDMLS-TZMCWYRMSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098478941 787139868 /nfs/dbraw/zinc/13/98/68/787139868.db2.gz KWWFHYYLQXDMLS-TZMCWYRMSA-N 2 1 326.441 -1.045 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098478941 787139866 /nfs/dbraw/zinc/13/98/66/787139866.db2.gz KWWFHYYLQXDMLS-TZMCWYRMSA-N 2 1 326.441 -1.045 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098499738 792023831 /nfs/dbraw/zinc/02/38/31/792023831.db2.gz DSJQYFOWHCKJJP-UHFFFAOYSA-N 2 1 329.441 -1.014 20 0 EAADMP NC(=O)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001098499974 792042084 /nfs/dbraw/zinc/04/20/84/792042084.db2.gz KXDGIJNXWWEEEE-UHFFFAOYSA-N 2 1 342.440 -1.521 20 0 EAADMP NC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001098499974 792042074 /nfs/dbraw/zinc/04/20/74/792042074.db2.gz KXDGIJNXWWEEEE-UHFFFAOYSA-N 2 1 342.440 -1.521 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098532801 785105645 /nfs/dbraw/zinc/10/56/45/785105645.db2.gz FXRRBTCVTSUVJG-UHFFFAOYSA-N 2 1 330.429 -1.665 20 0 EAADMP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533135 785105804 /nfs/dbraw/zinc/10/58/04/785105804.db2.gz UCJSXSJWMBSXST-UHFFFAOYSA-N 2 1 344.456 -1.404 20 0 EAADMP CNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098560844 785182665 /nfs/dbraw/zinc/18/26/65/785182665.db2.gz DSKRASGLEZFLIJ-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560844 785182659 /nfs/dbraw/zinc/18/26/59/785182659.db2.gz DSKRASGLEZFLIJ-CYBMUJFWSA-N 2 1 326.441 -1.031 20 0 EAADMP CNC(=O)C[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098560845 785183291 /nfs/dbraw/zinc/18/32/91/785183291.db2.gz DSKRASGLEZFLIJ-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CNC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560845 785183287 /nfs/dbraw/zinc/18/32/87/785183287.db2.gz DSKRASGLEZFLIJ-ZDUSSCGKSA-N 2 1 326.441 -1.031 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)C1 ZINC001098566772 792041763 /nfs/dbraw/zinc/04/17/63/792041763.db2.gz NVMZZUOXTCQPFF-AWEZNQCLSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)C1 ZINC001098566772 792041750 /nfs/dbraw/zinc/04/17/50/792041750.db2.gz NVMZZUOXTCQPFF-AWEZNQCLSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098566772 792041738 /nfs/dbraw/zinc/04/17/38/792041738.db2.gz NVMZZUOXTCQPFF-AWEZNQCLSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098566772 792041727 /nfs/dbraw/zinc/04/17/27/792041727.db2.gz NVMZZUOXTCQPFF-AWEZNQCLSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([N@@H+](CCO)CC(N)=O)CC2)C1 ZINC001098566773 792041371 /nfs/dbraw/zinc/04/13/71/792041371.db2.gz NVMZZUOXTCQPFF-CQSZACIVSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)C1 ZINC001098566773 792041359 /nfs/dbraw/zinc/04/13/59/792041359.db2.gz NVMZZUOXTCQPFF-CQSZACIVSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098566773 792041344 /nfs/dbraw/zinc/04/13/44/792041344.db2.gz NVMZZUOXTCQPFF-CQSZACIVSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098566773 792041341 /nfs/dbraw/zinc/04/13/41/792041341.db2.gz NVMZZUOXTCQPFF-CQSZACIVSA-N 2 1 342.440 -1.522 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098569564 785201006 /nfs/dbraw/zinc/20/10/06/785201006.db2.gz SEBWLKZAPINBQC-HNNXBMFYSA-N 2 1 329.441 -1.015 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098569564 785201003 /nfs/dbraw/zinc/20/10/03/785201003.db2.gz SEBWLKZAPINBQC-HNNXBMFYSA-N 2 1 329.441 -1.015 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098569565 785200713 /nfs/dbraw/zinc/20/07/13/785200713.db2.gz SEBWLKZAPINBQC-OAHLLOKOSA-N 2 1 329.441 -1.015 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098569565 785200700 /nfs/dbraw/zinc/20/07/00/785200700.db2.gz SEBWLKZAPINBQC-OAHLLOKOSA-N 2 1 329.441 -1.015 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098767201 792060527 /nfs/dbraw/zinc/06/05/27/792060527.db2.gz KUSQWLSVLMIMLV-AWEZNQCLSA-N 2 1 340.428 -1.288 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCO)nn2)C1 ZINC001098767202 792059101 /nfs/dbraw/zinc/05/91/01/792059101.db2.gz KUSQWLSVLMIMLV-CQSZACIVSA-N 2 1 340.428 -1.288 20 0 EAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099891749 792225616 /nfs/dbraw/zinc/22/56/16/792225616.db2.gz BZKAZQYJULCHTP-KBPBESRZSA-N 2 1 329.441 -1.112 20 0 EAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001099891750 792226486 /nfs/dbraw/zinc/22/64/86/792226486.db2.gz BZKAZQYJULCHTP-KGLIPLIRSA-N 2 1 329.441 -1.112 20 0 EAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099891751 792225900 /nfs/dbraw/zinc/22/59/00/792225900.db2.gz BZKAZQYJULCHTP-UONOGXRCSA-N 2 1 329.441 -1.112 20 0 EAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001099891752 792226218 /nfs/dbraw/zinc/22/62/18/792226218.db2.gz BZKAZQYJULCHTP-ZIAGYGMSSA-N 2 1 329.441 -1.112 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099918934 787640005 /nfs/dbraw/zinc/64/00/05/787640005.db2.gz TZWDWHGWKDHGBF-KBPBESRZSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099918934 787640002 /nfs/dbraw/zinc/64/00/02/787640002.db2.gz TZWDWHGWKDHGBF-KBPBESRZSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001099918935 787639820 /nfs/dbraw/zinc/63/98/20/787639820.db2.gz TZWDWHGWKDHGBF-KGLIPLIRSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001099918935 787639816 /nfs/dbraw/zinc/63/98/16/787639816.db2.gz TZWDWHGWKDHGBF-KGLIPLIRSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099918936 787640139 /nfs/dbraw/zinc/64/01/39/787640139.db2.gz TZWDWHGWKDHGBF-UONOGXRCSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099918936 787640136 /nfs/dbraw/zinc/64/01/36/787640136.db2.gz TZWDWHGWKDHGBF-UONOGXRCSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001099918937 787641157 /nfs/dbraw/zinc/64/11/57/787641157.db2.gz TZWDWHGWKDHGBF-ZIAGYGMSSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001099918937 787641153 /nfs/dbraw/zinc/64/11/53/787641153.db2.gz TZWDWHGWKDHGBF-ZIAGYGMSSA-N 2 1 326.397 -1.248 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971279 792272057 /nfs/dbraw/zinc/27/20/57/792272057.db2.gz DZRJCDCSVBINIM-CHWSQXEVSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971279 792272053 /nfs/dbraw/zinc/27/20/53/792272053.db2.gz DZRJCDCSVBINIM-CHWSQXEVSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971280 792271694 /nfs/dbraw/zinc/27/16/94/792271694.db2.gz DZRJCDCSVBINIM-OLZOCXBDSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971280 792271685 /nfs/dbraw/zinc/27/16/85/792271685.db2.gz DZRJCDCSVBINIM-OLZOCXBDSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971281 792271957 /nfs/dbraw/zinc/27/19/57/792271957.db2.gz DZRJCDCSVBINIM-QWHCGFSZSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971281 792271952 /nfs/dbraw/zinc/27/19/52/792271952.db2.gz DZRJCDCSVBINIM-QWHCGFSZSA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971282 792271014 /nfs/dbraw/zinc/27/10/14/792271014.db2.gz DZRJCDCSVBINIM-STQMWFEESA-N 2 1 326.441 -1.032 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971282 792271006 /nfs/dbraw/zinc/27/10/06/792271006.db2.gz DZRJCDCSVBINIM-STQMWFEESA-N 2 1 326.441 -1.032 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099971499 792271711 /nfs/dbraw/zinc/27/17/11/792271711.db2.gz IWWUBBIWWZHMMP-KBPBESRZSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099971500 792272073 /nfs/dbraw/zinc/27/20/73/792272073.db2.gz IWWUBBIWWZHMMP-KGLIPLIRSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099971501 792271783 /nfs/dbraw/zinc/27/17/83/792271783.db2.gz IWWUBBIWWZHMMP-UONOGXRCSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099971502 792270984 /nfs/dbraw/zinc/27/09/84/792270984.db2.gz IWWUBBIWWZHMMP-ZIAGYGMSSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099973753 792273851 /nfs/dbraw/zinc/27/38/51/792273851.db2.gz IKDBEWLSYSTQFT-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001099973754 792274461 /nfs/dbraw/zinc/27/44/61/792274461.db2.gz IKDBEWLSYSTQFT-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099973755 792273977 /nfs/dbraw/zinc/27/39/77/792273977.db2.gz IKDBEWLSYSTQFT-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001099973756 792273221 /nfs/dbraw/zinc/27/32/21/792273221.db2.gz IKDBEWLSYSTQFT-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099979490 792275870 /nfs/dbraw/zinc/27/58/70/792275870.db2.gz VRPFKTHMVSDQSV-CABCVRRESA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001099979491 792276675 /nfs/dbraw/zinc/27/66/75/792276675.db2.gz VRPFKTHMVSDQSV-GJZGRUSLSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099979492 792276009 /nfs/dbraw/zinc/27/60/09/792276009.db2.gz VRPFKTHMVSDQSV-HUUCEWRRSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001099979493 792276442 /nfs/dbraw/zinc/27/64/42/792276442.db2.gz VRPFKTHMVSDQSV-LSDHHAIUSA-N 2 1 329.441 -1.112 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099985639 792281846 /nfs/dbraw/zinc/28/18/46/792281846.db2.gz FPHSHLRJRSRSPC-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099985640 792282931 /nfs/dbraw/zinc/28/29/31/792282931.db2.gz FPHSHLRJRSRSPC-NWDGAFQWSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099985642 792282388 /nfs/dbraw/zinc/28/23/88/792282388.db2.gz FPHSHLRJRSRSPC-RYUDHWBXSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099985644 792282844 /nfs/dbraw/zinc/28/28/44/792282844.db2.gz FPHSHLRJRSRSPC-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099986364 786438593 /nfs/dbraw/zinc/43/85/93/786438593.db2.gz JNEUIVOLWOFQFJ-KBPBESRZSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099986364 786438584 /nfs/dbraw/zinc/43/85/84/786438584.db2.gz JNEUIVOLWOFQFJ-KBPBESRZSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099986365 786438242 /nfs/dbraw/zinc/43/82/42/786438242.db2.gz JNEUIVOLWOFQFJ-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1O ZINC001099986365 786438239 /nfs/dbraw/zinc/43/82/39/786438239.db2.gz JNEUIVOLWOFQFJ-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099986366 786437731 /nfs/dbraw/zinc/43/77/31/786437731.db2.gz JNEUIVOLWOFQFJ-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099986366 786437726 /nfs/dbraw/zinc/43/77/26/786437726.db2.gz JNEUIVOLWOFQFJ-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099986367 786438547 /nfs/dbraw/zinc/43/85/47/786438547.db2.gz JNEUIVOLWOFQFJ-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O ZINC001099986367 786438542 /nfs/dbraw/zinc/43/85/42/786438542.db2.gz JNEUIVOLWOFQFJ-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986760 792282167 /nfs/dbraw/zinc/28/21/67/792282167.db2.gz OZXMUOBTCGEKIJ-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986761 792281805 /nfs/dbraw/zinc/28/18/05/792281805.db2.gz OZXMUOBTCGEKIJ-GJZGRUSLSA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001099989273 792280689 /nfs/dbraw/zinc/28/06/89/792280689.db2.gz PZOVIEKEUPRJEP-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001099989274 792281435 /nfs/dbraw/zinc/28/14/35/792281435.db2.gz PZOVIEKEUPRJEP-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001099989275 792282242 /nfs/dbraw/zinc/28/22/42/792282242.db2.gz PZOVIEKEUPRJEP-QWHCGFSZSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001099989276 792282035 /nfs/dbraw/zinc/28/20/35/792282035.db2.gz PZOVIEKEUPRJEP-STQMWFEESA-N 2 1 340.424 -1.362 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100036272 792310612 /nfs/dbraw/zinc/31/06/12/792310612.db2.gz CZGZFGVGWINAQP-CABCVRRESA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100036272 792310602 /nfs/dbraw/zinc/31/06/02/792310602.db2.gz CZGZFGVGWINAQP-CABCVRRESA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100036273 792310227 /nfs/dbraw/zinc/31/02/27/792310227.db2.gz CZGZFGVGWINAQP-GJZGRUSLSA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100036273 792310218 /nfs/dbraw/zinc/31/02/18/792310218.db2.gz CZGZFGVGWINAQP-GJZGRUSLSA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100036274 792310469 /nfs/dbraw/zinc/31/04/69/792310469.db2.gz CZGZFGVGWINAQP-HUUCEWRRSA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100036274 792310458 /nfs/dbraw/zinc/31/04/58/792310458.db2.gz CZGZFGVGWINAQP-HUUCEWRRSA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100036275 792311709 /nfs/dbraw/zinc/31/17/09/792311709.db2.gz CZGZFGVGWINAQP-LSDHHAIUSA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100036275 792311694 /nfs/dbraw/zinc/31/16/94/792311694.db2.gz CZGZFGVGWINAQP-LSDHHAIUSA-N 2 1 345.440 -1.731 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100041697 792320857 /nfs/dbraw/zinc/32/08/57/792320857.db2.gz MYPDEMMLZZHBBA-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100041698 792320764 /nfs/dbraw/zinc/32/07/64/792320764.db2.gz MYPDEMMLZZHBBA-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100041699 792320669 /nfs/dbraw/zinc/32/06/69/792320669.db2.gz MYPDEMMLZZHBBA-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100041700 792320324 /nfs/dbraw/zinc/32/03/24/792320324.db2.gz MYPDEMMLZZHBBA-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064981 792348149 /nfs/dbraw/zinc/34/81/49/792348149.db2.gz VSEZUPIXLHPTNA-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064981 792348140 /nfs/dbraw/zinc/34/81/40/792348140.db2.gz VSEZUPIXLHPTNA-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064981 792348132 /nfs/dbraw/zinc/34/81/32/792348132.db2.gz VSEZUPIXLHPTNA-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064982 792348430 /nfs/dbraw/zinc/34/84/30/792348430.db2.gz VSEZUPIXLHPTNA-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064982 792348416 /nfs/dbraw/zinc/34/84/16/792348416.db2.gz VSEZUPIXLHPTNA-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100064982 792348404 /nfs/dbraw/zinc/34/84/04/792348404.db2.gz VSEZUPIXLHPTNA-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100064983 792346270 /nfs/dbraw/zinc/34/62/70/792346270.db2.gz VSEZUPIXLHPTNA-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100064983 792346258 /nfs/dbraw/zinc/34/62/58/792346258.db2.gz VSEZUPIXLHPTNA-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100064983 792346245 /nfs/dbraw/zinc/34/62/45/792346245.db2.gz VSEZUPIXLHPTNA-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100064984 792347943 /nfs/dbraw/zinc/34/79/43/792347943.db2.gz VSEZUPIXLHPTNA-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100064984 792347932 /nfs/dbraw/zinc/34/79/32/792347932.db2.gz VSEZUPIXLHPTNA-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100064984 792347927 /nfs/dbraw/zinc/34/79/27/792347927.db2.gz VSEZUPIXLHPTNA-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001100073314 792357804 /nfs/dbraw/zinc/35/78/04/792357804.db2.gz BWXOELHHJJLTQQ-KBPBESRZSA-N 2 1 327.425 -1.358 20 0 EAADMP O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001100073315 792357217 /nfs/dbraw/zinc/35/72/17/792357217.db2.gz BWXOELHHJJLTQQ-KGLIPLIRSA-N 2 1 327.425 -1.358 20 0 EAADMP O=C(N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001100073316 792357891 /nfs/dbraw/zinc/35/78/91/792357891.db2.gz BWXOELHHJJLTQQ-UONOGXRCSA-N 2 1 327.425 -1.358 20 0 EAADMP O=C(N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001100073317 792357729 /nfs/dbraw/zinc/35/77/29/792357729.db2.gz BWXOELHHJJLTQQ-ZIAGYGMSSA-N 2 1 327.425 -1.358 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100074053 792356174 /nfs/dbraw/zinc/35/61/74/792356174.db2.gz IXFKQHJLDSIHFG-KBPBESRZSA-N 2 1 333.429 -1.875 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100074057 792356467 /nfs/dbraw/zinc/35/64/67/792356467.db2.gz IXFKQHJLDSIHFG-KGLIPLIRSA-N 2 1 333.429 -1.875 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100074058 792356384 /nfs/dbraw/zinc/35/63/84/792356384.db2.gz IXFKQHJLDSIHFG-UONOGXRCSA-N 2 1 333.429 -1.875 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100074059 792358179 /nfs/dbraw/zinc/35/81/79/792358179.db2.gz IXFKQHJLDSIHFG-ZIAGYGMSSA-N 2 1 333.429 -1.875 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001100074503 792356443 /nfs/dbraw/zinc/35/64/43/792356443.db2.gz OSTXZKHPZNLUSM-KBPBESRZSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001100074503 792356433 /nfs/dbraw/zinc/35/64/33/792356433.db2.gz OSTXZKHPZNLUSM-KBPBESRZSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001100074504 792356011 /nfs/dbraw/zinc/35/60/11/792356011.db2.gz OSTXZKHPZNLUSM-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1O ZINC001100074504 792356002 /nfs/dbraw/zinc/35/60/02/792356002.db2.gz OSTXZKHPZNLUSM-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001100074505 792358283 /nfs/dbraw/zinc/35/82/83/792358283.db2.gz OSTXZKHPZNLUSM-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001100074505 792358279 /nfs/dbraw/zinc/35/82/79/792358279.db2.gz OSTXZKHPZNLUSM-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001100074506 792357783 /nfs/dbraw/zinc/35/77/83/792357783.db2.gz OSTXZKHPZNLUSM-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001100074506 792357765 /nfs/dbraw/zinc/35/77/65/792357765.db2.gz OSTXZKHPZNLUSM-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075885 786461265 /nfs/dbraw/zinc/46/12/65/786461265.db2.gz BQOMASMGKBQLPM-CHWSQXEVSA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075885 786461264 /nfs/dbraw/zinc/46/12/64/786461264.db2.gz BQOMASMGKBQLPM-CHWSQXEVSA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075886 786460411 /nfs/dbraw/zinc/46/04/11/786460411.db2.gz BQOMASMGKBQLPM-OLZOCXBDSA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075886 786460403 /nfs/dbraw/zinc/46/04/03/786460403.db2.gz BQOMASMGKBQLPM-OLZOCXBDSA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075887 786460944 /nfs/dbraw/zinc/46/09/44/786460944.db2.gz BQOMASMGKBQLPM-QWHCGFSZSA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075887 786460938 /nfs/dbraw/zinc/46/09/38/786460938.db2.gz BQOMASMGKBQLPM-QWHCGFSZSA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075888 786460799 /nfs/dbraw/zinc/46/07/99/786460799.db2.gz BQOMASMGKBQLPM-STQMWFEESA-N 2 1 330.429 -1.796 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075888 786460796 /nfs/dbraw/zinc/46/07/96/786460796.db2.gz BQOMASMGKBQLPM-STQMWFEESA-N 2 1 330.429 -1.796 20 0 EAADMP COCCOCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075897 792358488 /nfs/dbraw/zinc/35/84/88/792358488.db2.gz BSJLKGJGAAGXLH-CABCVRRESA-N 2 1 347.456 -1.221 20 0 EAADMP COCCOCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075898 792358520 /nfs/dbraw/zinc/35/85/20/792358520.db2.gz BSJLKGJGAAGXLH-GJZGRUSLSA-N 2 1 347.456 -1.221 20 0 EAADMP COCCOCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075899 792358709 /nfs/dbraw/zinc/35/87/09/792358709.db2.gz BSJLKGJGAAGXLH-HUUCEWRRSA-N 2 1 347.456 -1.221 20 0 EAADMP COCCOCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075900 792358677 /nfs/dbraw/zinc/35/86/77/792358677.db2.gz BSJLKGJGAAGXLH-LSDHHAIUSA-N 2 1 347.456 -1.221 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001100075997 792359501 /nfs/dbraw/zinc/35/95/01/792359501.db2.gz DKIAJYHCPBTZFZ-KBPBESRZSA-N 2 1 340.428 -1.592 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001100075998 792360290 /nfs/dbraw/zinc/36/02/90/792360290.db2.gz DKIAJYHCPBTZFZ-KGLIPLIRSA-N 2 1 340.428 -1.592 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001100075999 792361222 /nfs/dbraw/zinc/36/12/22/792361222.db2.gz DKIAJYHCPBTZFZ-UONOGXRCSA-N 2 1 340.428 -1.592 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O ZINC001100076000 792361491 /nfs/dbraw/zinc/36/14/91/792361491.db2.gz DKIAJYHCPBTZFZ-ZIAGYGMSSA-N 2 1 340.428 -1.592 20 0 EAADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077165 792359671 /nfs/dbraw/zinc/35/96/71/792359671.db2.gz YGTXNIDHPXXILG-KBPBESRZSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077165 792359659 /nfs/dbraw/zinc/35/96/59/792359659.db2.gz YGTXNIDHPXXILG-KBPBESRZSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077166 792361381 /nfs/dbraw/zinc/36/13/81/792361381.db2.gz YGTXNIDHPXXILG-KGLIPLIRSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100077166 792361371 /nfs/dbraw/zinc/36/13/71/792361371.db2.gz YGTXNIDHPXXILG-KGLIPLIRSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077167 792360273 /nfs/dbraw/zinc/36/02/73/792360273.db2.gz YGTXNIDHPXXILG-UONOGXRCSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077167 792360266 /nfs/dbraw/zinc/36/02/66/792360266.db2.gz YGTXNIDHPXXILG-UONOGXRCSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077168 792360348 /nfs/dbraw/zinc/36/03/48/792360348.db2.gz YGTXNIDHPXXILG-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP CCN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100077168 792360339 /nfs/dbraw/zinc/36/03/39/792360339.db2.gz YGTXNIDHPXXILG-ZIAGYGMSSA-N 2 1 344.456 -1.406 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083913 792366047 /nfs/dbraw/zinc/36/60/47/792366047.db2.gz XJGAELGEXKWUOQ-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083913 792366036 /nfs/dbraw/zinc/36/60/36/792366036.db2.gz XJGAELGEXKWUOQ-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083913 792366023 /nfs/dbraw/zinc/36/60/23/792366023.db2.gz XJGAELGEXKWUOQ-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083915 792365853 /nfs/dbraw/zinc/36/58/53/792365853.db2.gz XJGAELGEXKWUOQ-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083915 792365842 /nfs/dbraw/zinc/36/58/42/792365842.db2.gz XJGAELGEXKWUOQ-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100083915 792365827 /nfs/dbraw/zinc/36/58/27/792365827.db2.gz XJGAELGEXKWUOQ-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100083917 792366619 /nfs/dbraw/zinc/36/66/19/792366619.db2.gz XJGAELGEXKWUOQ-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100083917 792366605 /nfs/dbraw/zinc/36/66/05/792366605.db2.gz XJGAELGEXKWUOQ-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100083917 792366597 /nfs/dbraw/zinc/36/65/97/792366597.db2.gz XJGAELGEXKWUOQ-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100083919 792365784 /nfs/dbraw/zinc/36/57/84/792365784.db2.gz XJGAELGEXKWUOQ-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100083919 792365775 /nfs/dbraw/zinc/36/57/75/792365775.db2.gz XJGAELGEXKWUOQ-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100083919 792365763 /nfs/dbraw/zinc/36/57/63/792365763.db2.gz XJGAELGEXKWUOQ-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100109988 792385931 /nfs/dbraw/zinc/38/59/31/792385931.db2.gz NUPSHZYQNPZJFA-KBPBESRZSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100109988 792385922 /nfs/dbraw/zinc/38/59/22/792385922.db2.gz NUPSHZYQNPZJFA-KBPBESRZSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100109989 792386563 /nfs/dbraw/zinc/38/65/63/792386563.db2.gz NUPSHZYQNPZJFA-KGLIPLIRSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100109989 792386550 /nfs/dbraw/zinc/38/65/50/792386550.db2.gz NUPSHZYQNPZJFA-KGLIPLIRSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100109990 792387389 /nfs/dbraw/zinc/38/73/89/792387389.db2.gz NUPSHZYQNPZJFA-UONOGXRCSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100109990 792387379 /nfs/dbraw/zinc/38/73/79/792387379.db2.gz NUPSHZYQNPZJFA-UONOGXRCSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100109991 792386850 /nfs/dbraw/zinc/38/68/50/792386850.db2.gz NUPSHZYQNPZJFA-ZIAGYGMSSA-N 2 1 326.397 -1.248 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100109991 792386841 /nfs/dbraw/zinc/38/68/41/792386841.db2.gz NUPSHZYQNPZJFA-ZIAGYGMSSA-N 2 1 326.397 -1.248 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132799 792405768 /nfs/dbraw/zinc/40/57/68/792405768.db2.gz ZHOZMKHGTDFQMI-KBPBESRZSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132799 792405764 /nfs/dbraw/zinc/40/57/64/792405764.db2.gz ZHOZMKHGTDFQMI-KBPBESRZSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132799 792405761 /nfs/dbraw/zinc/40/57/61/792405761.db2.gz ZHOZMKHGTDFQMI-KBPBESRZSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132800 792403778 /nfs/dbraw/zinc/40/37/78/792403778.db2.gz ZHOZMKHGTDFQMI-KGLIPLIRSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132800 792403772 /nfs/dbraw/zinc/40/37/72/792403772.db2.gz ZHOZMKHGTDFQMI-KGLIPLIRSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001100132800 792403763 /nfs/dbraw/zinc/40/37/63/792403763.db2.gz ZHOZMKHGTDFQMI-KGLIPLIRSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100132801 792405626 /nfs/dbraw/zinc/40/56/26/792405626.db2.gz ZHOZMKHGTDFQMI-UONOGXRCSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100132801 792405620 /nfs/dbraw/zinc/40/56/20/792405620.db2.gz ZHOZMKHGTDFQMI-UONOGXRCSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100132801 792405616 /nfs/dbraw/zinc/40/56/16/792405616.db2.gz ZHOZMKHGTDFQMI-UONOGXRCSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100132802 792403938 /nfs/dbraw/zinc/40/39/38/792403938.db2.gz ZHOZMKHGTDFQMI-ZIAGYGMSSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001100132802 792403930 /nfs/dbraw/zinc/40/39/30/792403930.db2.gz ZHOZMKHGTDFQMI-ZIAGYGMSSA-N 2 1 341.456 -1.097 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001100132802 792403924 /nfs/dbraw/zinc/40/39/24/792403924.db2.gz ZHOZMKHGTDFQMI-ZIAGYGMSSA-N 2 1 341.456 -1.097 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100211774 792415211 /nfs/dbraw/zinc/41/52/11/792415211.db2.gz ACKUJXATFAUJLK-HTAVTVPLSA-N 2 1 341.412 -1.743 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100211774 792415205 /nfs/dbraw/zinc/41/52/05/792415205.db2.gz ACKUJXATFAUJLK-HTAVTVPLSA-N 2 1 341.412 -1.743 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100211775 792415855 /nfs/dbraw/zinc/41/58/55/792415855.db2.gz ACKUJXATFAUJLK-MCIGGMRASA-N 2 1 341.412 -1.743 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100211775 792415849 /nfs/dbraw/zinc/41/58/49/792415849.db2.gz ACKUJXATFAUJLK-MCIGGMRASA-N 2 1 341.412 -1.743 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100211907 792415838 /nfs/dbraw/zinc/41/58/38/792415838.db2.gz GPUHNBUTQCQPNC-BPCQOVAHSA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100211907 792415834 /nfs/dbraw/zinc/41/58/34/792415834.db2.gz GPUHNBUTQCQPNC-BPCQOVAHSA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100211908 792416050 /nfs/dbraw/zinc/41/60/50/792416050.db2.gz GPUHNBUTQCQPNC-WXRRBKDZSA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100211908 792416043 /nfs/dbraw/zinc/41/60/43/792416043.db2.gz GPUHNBUTQCQPNC-WXRRBKDZSA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100211971 792415058 /nfs/dbraw/zinc/41/50/58/792415058.db2.gz IUQYXRFQSLDJJP-ILDUYXDCSA-N 2 1 327.385 -2.004 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100211971 792415053 /nfs/dbraw/zinc/41/50/53/792415053.db2.gz IUQYXRFQSLDJJP-ILDUYXDCSA-N 2 1 327.385 -2.004 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100211972 792415590 /nfs/dbraw/zinc/41/55/90/792415590.db2.gz IUQYXRFQSLDJJP-VQXHTEKXSA-N 2 1 327.385 -2.004 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100211972 792415581 /nfs/dbraw/zinc/41/55/81/792415581.db2.gz IUQYXRFQSLDJJP-VQXHTEKXSA-N 2 1 327.385 -2.004 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100212356 792415426 /nfs/dbraw/zinc/41/54/26/792415426.db2.gz YWRYFFATEPDFJC-BPCQOVAHSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100212356 792415424 /nfs/dbraw/zinc/41/54/24/792415424.db2.gz YWRYFFATEPDFJC-BPCQOVAHSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100212357 792415036 /nfs/dbraw/zinc/41/50/36/792415036.db2.gz YWRYFFATEPDFJC-WXRRBKDZSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100212357 792415028 /nfs/dbraw/zinc/41/50/28/792415028.db2.gz YWRYFFATEPDFJC-WXRRBKDZSA-N 2 1 348.469 -1.649 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001100437846 792436393 /nfs/dbraw/zinc/43/63/93/792436393.db2.gz BOYSRHCKFKCGKY-HBIQZDMRSA-N 2 1 341.412 -1.615 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001100437846 792436390 /nfs/dbraw/zinc/43/63/90/792436390.db2.gz BOYSRHCKFKCGKY-HBIQZDMRSA-N 2 1 341.412 -1.615 20 0 EAADMP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758686 792455737 /nfs/dbraw/zinc/45/57/37/792455737.db2.gz KFGOOWCHNROVBY-UHFFFAOYSA-N 2 1 341.412 -1.612 20 0 EAADMP Cn1nnnc1C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100867391 792463955 /nfs/dbraw/zinc/46/39/55/792463955.db2.gz SSJZMHGWIBSQJO-UHFFFAOYSA-N 2 1 325.417 -1.227 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980752 792472026 /nfs/dbraw/zinc/47/20/26/792472026.db2.gz DXEZEFUGNOVDQA-CXQJBGSLSA-N 2 1 325.413 -1.122 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980753 792471314 /nfs/dbraw/zinc/47/13/14/792471314.db2.gz DXEZEFUGNOVDQA-MOENNCHZSA-N 2 1 325.413 -1.122 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100981158 792471874 /nfs/dbraw/zinc/47/18/74/792471874.db2.gz XRUNNPKKOSOAKR-CPCZMJQVSA-N 2 1 332.470 -1.028 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100981159 792471413 /nfs/dbraw/zinc/47/14/13/792471413.db2.gz XRUNNPKKOSOAKR-OTTFEQOBSA-N 2 1 332.470 -1.028 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001101006518 792472964 /nfs/dbraw/zinc/47/29/64/792472964.db2.gz NNIZNAKGBHUSDP-HTAVTVPLSA-N 2 1 341.412 -1.614 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001101006518 792472959 /nfs/dbraw/zinc/47/29/59/792472959.db2.gz NNIZNAKGBHUSDP-HTAVTVPLSA-N 2 1 341.412 -1.614 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001101006519 792473376 /nfs/dbraw/zinc/47/33/76/792473376.db2.gz NNIZNAKGBHUSDP-MCIGGMRASA-N 2 1 341.412 -1.614 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001101006519 792473369 /nfs/dbraw/zinc/47/33/69/792473369.db2.gz NNIZNAKGBHUSDP-MCIGGMRASA-N 2 1 341.412 -1.614 20 0 EAADMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101352220 792490816 /nfs/dbraw/zinc/49/08/16/792490816.db2.gz XIISVHGAUNZVLA-ABAIWWIYSA-N 2 1 325.413 -1.087 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460753 792496080 /nfs/dbraw/zinc/49/60/80/792496080.db2.gz VWHHEUBZXARYPE-HSMVNMDESA-N 2 1 337.424 -1.087 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460753 792496077 /nfs/dbraw/zinc/49/60/77/792496077.db2.gz VWHHEUBZXARYPE-HSMVNMDESA-N 2 1 337.424 -1.087 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460753 792496074 /nfs/dbraw/zinc/49/60/74/792496074.db2.gz VWHHEUBZXARYPE-HSMVNMDESA-N 2 1 337.424 -1.087 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460754 792496013 /nfs/dbraw/zinc/49/60/13/792496013.db2.gz VWHHEUBZXARYPE-OZVIIMIRSA-N 2 1 337.424 -1.087 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460754 792496007 /nfs/dbraw/zinc/49/60/07/792496007.db2.gz VWHHEUBZXARYPE-OZVIIMIRSA-N 2 1 337.424 -1.087 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@@]3(C)C2)C1 ZINC001101460754 792496003 /nfs/dbraw/zinc/49/60/03/792496003.db2.gz VWHHEUBZXARYPE-OZVIIMIRSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101815568 792511973 /nfs/dbraw/zinc/51/19/73/792511973.db2.gz LJPVFRSUEBXUCR-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101815568 792511964 /nfs/dbraw/zinc/51/19/64/792511964.db2.gz LJPVFRSUEBXUCR-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815568 792511960 /nfs/dbraw/zinc/51/19/60/792511960.db2.gz LJPVFRSUEBXUCR-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101815569 792510645 /nfs/dbraw/zinc/51/06/45/792510645.db2.gz LJPVFRSUEBXUCR-UTUOFQBUSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101815569 792510637 /nfs/dbraw/zinc/51/06/37/792510637.db2.gz LJPVFRSUEBXUCR-UTUOFQBUSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815569 792510632 /nfs/dbraw/zinc/51/06/32/792510632.db2.gz LJPVFRSUEBXUCR-UTUOFQBUSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102044785 792525400 /nfs/dbraw/zinc/52/54/00/792525400.db2.gz FKAHDSSUYCMRKC-MCIONIFRSA-N 2 1 336.440 -1.017 20 0 EAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001102044785 792525393 /nfs/dbraw/zinc/52/53/93/792525393.db2.gz FKAHDSSUYCMRKC-MCIONIFRSA-N 2 1 336.440 -1.017 20 0 EAADMP C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102044786 792524793 /nfs/dbraw/zinc/52/47/93/792524793.db2.gz FKAHDSSUYCMRKC-MGPQQGTHSA-N 2 1 336.440 -1.017 20 0 EAADMP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001102044786 792524783 /nfs/dbraw/zinc/52/47/83/792524783.db2.gz FKAHDSSUYCMRKC-MGPQQGTHSA-N 2 1 336.440 -1.017 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511323 792547010 /nfs/dbraw/zinc/54/70/10/792547010.db2.gz RVIXKDCEFFFJBH-VXGBXAGGSA-N 2 1 343.428 -1.556 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102513933 792547669 /nfs/dbraw/zinc/54/76/69/792547669.db2.gz HANQAMZQOKHLBH-VXGBXAGGSA-N 2 1 337.424 -1.039 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578081 792552162 /nfs/dbraw/zinc/55/21/62/792552162.db2.gz KFTVLGQICVJJOE-GRYCIOLGSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578081 792552156 /nfs/dbraw/zinc/55/21/56/792552156.db2.gz KFTVLGQICVJJOE-GRYCIOLGSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578081 792552143 /nfs/dbraw/zinc/55/21/43/792552143.db2.gz KFTVLGQICVJJOE-GRYCIOLGSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578082 792551586 /nfs/dbraw/zinc/55/15/86/792551586.db2.gz KFTVLGQICVJJOE-IJLUTSLNSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578082 792551575 /nfs/dbraw/zinc/55/15/75/792551575.db2.gz KFTVLGQICVJJOE-IJLUTSLNSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578082 792551570 /nfs/dbraw/zinc/55/15/70/792551570.db2.gz KFTVLGQICVJJOE-IJLUTSLNSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579879 792550906 /nfs/dbraw/zinc/55/09/06/792550906.db2.gz VIDJIXMQKQZNTF-VXGBXAGGSA-N 2 1 325.413 -1.039 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N2CC(n3cc(CNCC(N)=O)nn3)C2)CC[N@H+]1C ZINC001105312507 785334738 /nfs/dbraw/zinc/33/47/38/785334738.db2.gz PBHNEBNPVGRZQI-RYUDHWBXSA-N 2 1 349.439 -1.033 20 0 EAADMP COC[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320844 785339491 /nfs/dbraw/zinc/33/94/91/785339491.db2.gz MGBZXYIUDVRNLX-AWEZNQCLSA-N 2 1 340.428 -1.290 20 0 EAADMP COC[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320845 785339619 /nfs/dbraw/zinc/33/96/19/785339619.db2.gz MGBZXYIUDVRNLX-CQSZACIVSA-N 2 1 340.428 -1.290 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CCn3cncn3)nn2)C1 ZINC001105320965 785339309 /nfs/dbraw/zinc/33/93/09/785339309.db2.gz RGYFZKUKEVRNFK-UHFFFAOYSA-N 2 1 347.427 -1.006 20 0 EAADMP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]CCOCCO)nn2)C1 ZINC001105321027 785338540 /nfs/dbraw/zinc/33/85/40/785338540.db2.gz VNAMLMZWGZYOMF-UHFFFAOYSA-N 2 1 340.428 -1.288 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC(n2cc(CN[C@H]3CCNC3=O)nn2)C1 ZINC001105358024 785393438 /nfs/dbraw/zinc/39/34/38/785393438.db2.gz QQAFGYXDVFCMGI-AWEZNQCLSA-N 2 1 349.439 -1.019 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC(n2cc(C[NH2+]CCO)nn2)C1 ZINC001105360994 785424286 /nfs/dbraw/zinc/42/42/86/785424286.db2.gz MREQQOYTNBIYJK-UHFFFAOYSA-N 2 1 326.401 -1.679 20 0 EAADMP COCC[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361312 785425995 /nfs/dbraw/zinc/42/59/95/785425995.db2.gz VYEGSRSLUPKCAM-UHFFFAOYSA-N 2 1 340.428 -1.024 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105941573 785909023 /nfs/dbraw/zinc/90/90/23/785909023.db2.gz CDFHAGHYTRHJEP-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105941574 785909190 /nfs/dbraw/zinc/90/91/90/785909190.db2.gz CDFHAGHYTRHJEP-UTUOFQBUSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105974214 785917122 /nfs/dbraw/zinc/91/71/22/785917122.db2.gz QTXKSLTWZQATOR-IJLUTSLNSA-N 2 1 341.412 -1.804 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105974214 785917112 /nfs/dbraw/zinc/91/71/12/785917112.db2.gz QTXKSLTWZQATOR-IJLUTSLNSA-N 2 1 341.412 -1.804 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105974215 785916961 /nfs/dbraw/zinc/91/69/61/785916961.db2.gz QTXKSLTWZQATOR-UTUOFQBUSA-N 2 1 341.412 -1.804 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001105974215 785916954 /nfs/dbraw/zinc/91/69/54/785916954.db2.gz QTXKSLTWZQATOR-UTUOFQBUSA-N 2 1 341.412 -1.804 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106245525 786011991 /nfs/dbraw/zinc/01/19/91/786011991.db2.gz CYIBPYKEMLMTPG-MCIONIFRSA-N 2 1 336.440 -1.017 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001106245526 786012374 /nfs/dbraw/zinc/01/23/74/786012374.db2.gz CYIBPYKEMLMTPG-MGPQQGTHSA-N 2 1 336.440 -1.017 20 0 EAADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001106878708 786027314 /nfs/dbraw/zinc/02/73/14/786027314.db2.gz YIUUHJFEYNNTKJ-CHWSQXEVSA-N 2 1 339.444 -1.028 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106981701 786040284 /nfs/dbraw/zinc/04/02/84/786040284.db2.gz ZPEARIQZBYKIOC-GRYCIOLGSA-N 2 1 325.413 -1.183 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106981702 786040051 /nfs/dbraw/zinc/04/00/51/786040051.db2.gz ZPEARIQZBYKIOC-IJLUTSLNSA-N 2 1 325.413 -1.183 20 0 EAADMP COC[C@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343098 786481437 /nfs/dbraw/zinc/48/14/37/786481437.db2.gz MJZWJZDUQQKHRW-GDBMZVCRSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343098 786481430 /nfs/dbraw/zinc/48/14/30/786481430.db2.gz MJZWJZDUQQKHRW-GDBMZVCRSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343099 786482139 /nfs/dbraw/zinc/48/21/39/786482139.db2.gz MJZWJZDUQQKHRW-GOEBONIOSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@@H](O)C[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343099 786482134 /nfs/dbraw/zinc/48/21/34/786482134.db2.gz MJZWJZDUQQKHRW-GOEBONIOSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343100 786481984 /nfs/dbraw/zinc/48/19/84/786481984.db2.gz MJZWJZDUQQKHRW-HOCLYGCPSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343100 786481977 /nfs/dbraw/zinc/48/19/77/786481977.db2.gz MJZWJZDUQQKHRW-HOCLYGCPSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@H](O)C[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343101 786482288 /nfs/dbraw/zinc/48/22/88/786482288.db2.gz MJZWJZDUQQKHRW-ZBFHGGJFSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@H](O)C[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343101 786482286 /nfs/dbraw/zinc/48/22/86/786482286.db2.gz MJZWJZDUQQKHRW-ZBFHGGJFSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569364 786551520 /nfs/dbraw/zinc/55/15/20/786551520.db2.gz GGDWLAONPYTOKL-GXTWGEPZSA-N 2 1 342.440 -1.653 20 0 EAADMP COC[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569365 786552175 /nfs/dbraw/zinc/55/21/75/786552175.db2.gz GGDWLAONPYTOKL-JSGCOSHPSA-N 2 1 342.440 -1.653 20 0 EAADMP COC[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569366 786552165 /nfs/dbraw/zinc/55/21/65/786552165.db2.gz GGDWLAONPYTOKL-OCCSQVGLSA-N 2 1 342.440 -1.653 20 0 EAADMP COC[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569367 786551569 /nfs/dbraw/zinc/55/15/69/786551569.db2.gz GGDWLAONPYTOKL-TZMCWYRMSA-N 2 1 342.440 -1.653 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108585334 786562348 /nfs/dbraw/zinc/56/23/48/786562348.db2.gz RBIJTFJZUWIYFI-CYBMUJFWSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCCO)C2)C1 ZINC001108585335 786562053 /nfs/dbraw/zinc/56/20/53/786562053.db2.gz RBIJTFJZUWIYFI-ZDUSSCGKSA-N 2 1 342.440 -1.652 20 0 EAADMP C[C@@H](O)C[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588046 786562280 /nfs/dbraw/zinc/56/22/80/786562280.db2.gz ZHILYXSZBKEZJI-CHWSQXEVSA-N 2 1 342.440 -1.653 20 0 EAADMP C[C@@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588047 786562539 /nfs/dbraw/zinc/56/25/39/786562539.db2.gz ZHILYXSZBKEZJI-OLZOCXBDSA-N 2 1 342.440 -1.653 20 0 EAADMP C[C@H](O)C[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588048 786562125 /nfs/dbraw/zinc/56/21/25/786562125.db2.gz ZHILYXSZBKEZJI-QWHCGFSZSA-N 2 1 342.440 -1.653 20 0 EAADMP C[C@H](O)C[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108588049 786562322 /nfs/dbraw/zinc/56/23/22/786562322.db2.gz ZHILYXSZBKEZJI-STQMWFEESA-N 2 1 342.440 -1.653 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001113538252 786753221 /nfs/dbraw/zinc/75/32/21/786753221.db2.gz FGSOFQQHEPTAMP-HNNXBMFYSA-N 2 1 339.440 -1.034 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001113538253 786752780 /nfs/dbraw/zinc/75/27/80/786752780.db2.gz FGSOFQQHEPTAMP-OAHLLOKOSA-N 2 1 339.440 -1.034 20 0 EAADMP COCCOC[C@@H](O)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545514 786754157 /nfs/dbraw/zinc/75/41/57/786754157.db2.gz TUGACXNUDOMRTM-HNNXBMFYSA-N 2 1 347.456 -1.267 20 0 EAADMP COCCOC[C@H](O)C[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545515 786753910 /nfs/dbraw/zinc/75/39/10/786753910.db2.gz TUGACXNUDOMRTM-OAHLLOKOSA-N 2 1 347.456 -1.267 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114040865 786805836 /nfs/dbraw/zinc/80/58/36/786805836.db2.gz CWRZLMXWKDUOTC-CZXHOFHRSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114040865 786805824 /nfs/dbraw/zinc/80/58/24/786805824.db2.gz CWRZLMXWKDUOTC-CZXHOFHRSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114040865 786805813 /nfs/dbraw/zinc/80/58/13/786805813.db2.gz CWRZLMXWKDUOTC-CZXHOFHRSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114040865 786805801 /nfs/dbraw/zinc/80/58/01/786805801.db2.gz CWRZLMXWKDUOTC-CZXHOFHRSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114040867 786805557 /nfs/dbraw/zinc/80/55/57/786805557.db2.gz CWRZLMXWKDUOTC-KZVDOYCCSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114040867 786805549 /nfs/dbraw/zinc/80/55/49/786805549.db2.gz CWRZLMXWKDUOTC-KZVDOYCCSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114040867 786805542 /nfs/dbraw/zinc/80/55/42/786805542.db2.gz CWRZLMXWKDUOTC-KZVDOYCCSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114040867 786805534 /nfs/dbraw/zinc/80/55/34/786805534.db2.gz CWRZLMXWKDUOTC-KZVDOYCCSA-N 2 1 337.424 -1.027 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041399 786805641 /nfs/dbraw/zinc/80/56/41/786805641.db2.gz KPODYDYDKLLUGB-QNWHQSFQSA-N 2 1 330.454 -1.324 20 0 EAADMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041399 786805633 /nfs/dbraw/zinc/80/56/33/786805633.db2.gz KPODYDYDKLLUGB-QNWHQSFQSA-N 2 1 330.454 -1.324 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041399 786805619 /nfs/dbraw/zinc/80/56/19/786805619.db2.gz KPODYDYDKLLUGB-QNWHQSFQSA-N 2 1 330.454 -1.324 20 0 EAADMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041399 786805608 /nfs/dbraw/zinc/80/56/08/786805608.db2.gz KPODYDYDKLLUGB-QNWHQSFQSA-N 2 1 330.454 -1.324 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041401 786805079 /nfs/dbraw/zinc/80/50/79/786805079.db2.gz KPODYDYDKLLUGB-XQHKEYJVSA-N 2 1 330.454 -1.324 20 0 EAADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041401 786805064 /nfs/dbraw/zinc/80/50/64/786805064.db2.gz KPODYDYDKLLUGB-XQHKEYJVSA-N 2 1 330.454 -1.324 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041401 786805052 /nfs/dbraw/zinc/80/50/52/786805052.db2.gz KPODYDYDKLLUGB-XQHKEYJVSA-N 2 1 330.454 -1.324 20 0 EAADMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114041401 786805041 /nfs/dbraw/zinc/80/50/41/786805041.db2.gz KPODYDYDKLLUGB-XQHKEYJVSA-N 2 1 330.454 -1.324 20 0 EAADMP CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808532 /nfs/dbraw/zinc/80/85/32/786808532.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 1 346.453 -2.087 20 0 EAADMP CN1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114090532 786808518 /nfs/dbraw/zinc/80/85/18/786808518.db2.gz GCFXUQDZMWKZML-QNWHQSFQSA-N 2 1 346.453 -2.087 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 ZINC001114215190 786825958 /nfs/dbraw/zinc/82/59/58/786825958.db2.gz RNNFDYWMCWKXHB-DNJQJEMRSA-N 2 1 334.380 -1.028 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 ZINC001114215190 786825946 /nfs/dbraw/zinc/82/59/46/786825946.db2.gz RNNFDYWMCWKXHB-DNJQJEMRSA-N 2 1 334.380 -1.028 20 0 EAADMP NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290408 786837355 /nfs/dbraw/zinc/83/73/55/786837355.db2.gz HRPIIHGSQSYFEV-CIQGVGRVSA-N 2 1 335.408 -1.431 20 0 EAADMP NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290408 786837346 /nfs/dbraw/zinc/83/73/46/786837346.db2.gz HRPIIHGSQSYFEV-CIQGVGRVSA-N 2 1 335.408 -1.431 20 0 EAADMP NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290410 786837838 /nfs/dbraw/zinc/83/78/38/786837838.db2.gz HRPIIHGSQSYFEV-NMKXLXIOSA-N 2 1 335.408 -1.431 20 0 EAADMP NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290410 786837829 /nfs/dbraw/zinc/83/78/29/786837829.db2.gz HRPIIHGSQSYFEV-NMKXLXIOSA-N 2 1 335.408 -1.431 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291437 786837899 /nfs/dbraw/zinc/83/78/99/786837899.db2.gz YMCQRSSNHWLVMB-CXTNEJHOSA-N 2 1 349.435 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114291437 786837889 /nfs/dbraw/zinc/83/78/89/786837889.db2.gz YMCQRSSNHWLVMB-CXTNEJHOSA-N 2 1 349.435 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291439 786837128 /nfs/dbraw/zinc/83/71/28/786837128.db2.gz YMCQRSSNHWLVMB-RMRHIDDWSA-N 2 1 349.435 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114291439 786837124 /nfs/dbraw/zinc/83/71/24/786837124.db2.gz YMCQRSSNHWLVMB-RMRHIDDWSA-N 2 1 349.435 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298241 786838969 /nfs/dbraw/zinc/83/89/69/786838969.db2.gz GMXLKKMUEVLZGY-SSKLVLDBSA-N 2 1 337.424 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298241 786838959 /nfs/dbraw/zinc/83/89/59/786838959.db2.gz GMXLKKMUEVLZGY-SSKLVLDBSA-N 2 1 337.424 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298241 786838953 /nfs/dbraw/zinc/83/89/53/786838953.db2.gz GMXLKKMUEVLZGY-SSKLVLDBSA-N 2 1 337.424 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298241 786838943 /nfs/dbraw/zinc/83/89/43/786838943.db2.gz GMXLKKMUEVLZGY-SSKLVLDBSA-N 2 1 337.424 -1.171 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001114304039 786838558 /nfs/dbraw/zinc/83/85/58/786838558.db2.gz JBVFJUDNBOSMPG-YCGPCKTQSA-N 2 1 337.424 -1.042 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001114304039 786838550 /nfs/dbraw/zinc/83/85/50/786838550.db2.gz JBVFJUDNBOSMPG-YCGPCKTQSA-N 2 1 337.424 -1.042 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001114304039 786838537 /nfs/dbraw/zinc/83/85/37/786838537.db2.gz JBVFJUDNBOSMPG-YCGPCKTQSA-N 2 1 337.424 -1.042 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001114304039 786838534 /nfs/dbraw/zinc/83/85/34/786838534.db2.gz JBVFJUDNBOSMPG-YCGPCKTQSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114304766 786839339 /nfs/dbraw/zinc/83/93/39/786839339.db2.gz YEXGSLGQGJQMHS-POQQGIQPSA-N 2 1 344.481 -1.078 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001114304766 786839327 /nfs/dbraw/zinc/83/93/27/786839327.db2.gz YEXGSLGQGJQMHS-POQQGIQPSA-N 2 1 344.481 -1.078 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001114304766 786839318 /nfs/dbraw/zinc/83/93/18/786839318.db2.gz YEXGSLGQGJQMHS-POQQGIQPSA-N 2 1 344.481 -1.078 20 0 EAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)CC[N@@H+]1C ZINC001114304766 786839307 /nfs/dbraw/zinc/83/93/07/786839307.db2.gz YEXGSLGQGJQMHS-POQQGIQPSA-N 2 1 344.481 -1.078 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405026 791433659 /nfs/dbraw/zinc/43/36/59/791433659.db2.gz LYUBXRGWVLRWRA-PJXYFTJBSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405026 791433648 /nfs/dbraw/zinc/43/36/48/791433648.db2.gz LYUBXRGWVLRWRA-PJXYFTJBSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409255 791434158 /nfs/dbraw/zinc/43/41/58/791434158.db2.gz IVGLRWFPHZBTOT-UNJBNNCHSA-N 2 1 337.424 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409255 791434149 /nfs/dbraw/zinc/43/41/49/791434149.db2.gz IVGLRWFPHZBTOT-UNJBNNCHSA-N 2 1 337.424 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409256 791434105 /nfs/dbraw/zinc/43/41/05/791434105.db2.gz IVGLRWFPHZBTOT-UVLXDEKHSA-N 2 1 337.424 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409256 791434099 /nfs/dbraw/zinc/43/40/99/791434099.db2.gz IVGLRWFPHZBTOT-UVLXDEKHSA-N 2 1 337.424 -1.171 20 0 EAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21)C1CC1 ZINC001114409651 791434484 /nfs/dbraw/zinc/43/44/84/791434484.db2.gz OKXBGEZNULLNAF-DGAVXFQQSA-N 2 1 344.481 -1.078 20 0 EAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21)C1CC1 ZINC001114409651 791434480 /nfs/dbraw/zinc/43/44/80/791434480.db2.gz OKXBGEZNULLNAF-DGAVXFQQSA-N 2 1 344.481 -1.078 20 0 EAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21)C1CC1 ZINC001114409653 791435478 /nfs/dbraw/zinc/43/54/78/791435478.db2.gz OKXBGEZNULLNAF-ZOBORPQBSA-N 2 1 344.481 -1.078 20 0 EAADMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)C1CC1 ZINC001114410655 791434407 /nfs/dbraw/zinc/43/44/07/791434407.db2.gz XURGSUYMCTZTCF-MXYBEHONSA-N 2 1 349.435 -1.075 20 0 EAADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)C1CC1 ZINC001114410656 791433946 /nfs/dbraw/zinc/43/39/46/791433946.db2.gz XURGSUYMCTZTCF-PAPYEOQZSA-N 2 1 349.435 -1.075 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114411755 791435149 /nfs/dbraw/zinc/43/51/49/791435149.db2.gz KMHPXKQJQLQMSS-JYAVWHMHSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114411755 791435147 /nfs/dbraw/zinc/43/51/47/791435147.db2.gz KMHPXKQJQLQMSS-JYAVWHMHSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114411755 791435136 /nfs/dbraw/zinc/43/51/36/791435136.db2.gz KMHPXKQJQLQMSS-JYAVWHMHSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114411755 791435127 /nfs/dbraw/zinc/43/51/27/791435127.db2.gz KMHPXKQJQLQMSS-JYAVWHMHSA-N 2 1 337.424 -1.027 20 0 EAADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114440011 791440158 /nfs/dbraw/zinc/44/01/58/791440158.db2.gz PTRGQRDWBXJAQH-YGNMPJRFSA-N 2 1 325.413 -1.186 20 0 EAADMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114440011 791440153 /nfs/dbraw/zinc/44/01/53/791440153.db2.gz PTRGQRDWBXJAQH-YGNMPJRFSA-N 2 1 325.413 -1.186 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)O1 ZINC001114454188 791440640 /nfs/dbraw/zinc/44/06/40/791440640.db2.gz XUWFXSHVBUBACR-QMIVOQANSA-N 2 1 327.425 -1.239 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)O1 ZINC001114454188 791440635 /nfs/dbraw/zinc/44/06/35/791440635.db2.gz XUWFXSHVBUBACR-QMIVOQANSA-N 2 1 327.425 -1.239 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)O1 ZINC001114454188 791440632 /nfs/dbraw/zinc/44/06/32/791440632.db2.gz XUWFXSHVBUBACR-QMIVOQANSA-N 2 1 327.425 -1.239 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)O1 ZINC001114454188 791440624 /nfs/dbraw/zinc/44/06/24/791440624.db2.gz XUWFXSHVBUBACR-QMIVOQANSA-N 2 1 327.425 -1.239 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114463076 791442376 /nfs/dbraw/zinc/44/23/76/791442376.db2.gz DRHLXEYPLNECBJ-XZUYRWCXSA-N 2 1 325.413 -1.171 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114463076 791442372 /nfs/dbraw/zinc/44/23/72/791442372.db2.gz DRHLXEYPLNECBJ-XZUYRWCXSA-N 2 1 325.413 -1.171 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001114464050 791442135 /nfs/dbraw/zinc/44/21/35/791442135.db2.gz PSVYTAJWMXZRAN-XQHKEYJVSA-N 2 1 332.470 -1.078 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001114464050 791442128 /nfs/dbraw/zinc/44/21/28/791442128.db2.gz PSVYTAJWMXZRAN-XQHKEYJVSA-N 2 1 332.470 -1.078 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001114464232 791442391 /nfs/dbraw/zinc/44/23/91/791442391.db2.gz RHFIFPRAENTZKQ-CZXHOFHRSA-N 2 1 337.424 -1.075 20 0 EAADMP CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C ZINC001114467503 791443340 /nfs/dbraw/zinc/44/33/40/791443340.db2.gz ZPJNGNMNKSZRSE-CZXHOFHRSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114467503 791443336 /nfs/dbraw/zinc/44/33/36/791443336.db2.gz ZPJNGNMNKSZRSE-CZXHOFHRSA-N 2 1 337.424 -1.027 20 0 EAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114487735 791448240 /nfs/dbraw/zinc/44/82/40/791448240.db2.gz ANQYAZYHJUVRKV-IAZYJMLFSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114487735 791448237 /nfs/dbraw/zinc/44/82/37/791448237.db2.gz ANQYAZYHJUVRKV-IAZYJMLFSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114487735 791448231 /nfs/dbraw/zinc/44/82/31/791448231.db2.gz ANQYAZYHJUVRKV-IAZYJMLFSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001114487735 791448228 /nfs/dbraw/zinc/44/82/28/791448228.db2.gz ANQYAZYHJUVRKV-IAZYJMLFSA-N 2 1 325.413 -1.042 20 0 EAADMP NC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518917 791657690 /nfs/dbraw/zinc/65/76/90/791657690.db2.gz SXXDUKBEXUBDPA-PJXYFTJBSA-N 2 1 335.408 -1.144 20 0 EAADMP NC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518917 791657685 /nfs/dbraw/zinc/65/76/85/791657685.db2.gz SXXDUKBEXUBDPA-PJXYFTJBSA-N 2 1 335.408 -1.144 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001114732616 791684775 /nfs/dbraw/zinc/68/47/75/791684775.db2.gz KHIQOAYRHHYYIH-ZXPJVPCYSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC[NH+]1C ZINC001114732616 791684771 /nfs/dbraw/zinc/68/47/71/791684771.db2.gz KHIQOAYRHHYYIH-ZXPJVPCYSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@H+]1C ZINC001114732616 791684764 /nfs/dbraw/zinc/68/47/64/791684764.db2.gz KHIQOAYRHHYYIH-ZXPJVPCYSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)CC[N@@H+]1C ZINC001114732616 791684760 /nfs/dbraw/zinc/68/47/60/791684760.db2.gz KHIQOAYRHHYYIH-ZXPJVPCYSA-N 2 1 337.424 -1.042 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)CC1 ZINC001114740779 791686452 /nfs/dbraw/zinc/68/64/52/791686452.db2.gz BALJYTSHQSUOEB-IMRBUKKESA-N 2 1 349.435 -1.074 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001114740939 791686233 /nfs/dbraw/zinc/68/62/33/791686233.db2.gz FTSJJGMTYHCRSA-ITGUQSILSA-N 2 1 344.481 -1.076 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001114740939 791686225 /nfs/dbraw/zinc/68/62/25/791686225.db2.gz FTSJJGMTYHCRSA-ITGUQSILSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741086 791685330 /nfs/dbraw/zinc/68/53/30/791685330.db2.gz IIVXNTPTNLOIQD-NNYUYHANSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741086 791685327 /nfs/dbraw/zinc/68/53/27/791685327.db2.gz IIVXNTPTNLOIQD-NNYUYHANSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741088 791686161 /nfs/dbraw/zinc/68/61/61/791686161.db2.gz IIVXNTPTNLOIQD-WYUUTHIRSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741088 791686153 /nfs/dbraw/zinc/68/61/53/791686153.db2.gz IIVXNTPTNLOIQD-WYUUTHIRSA-N 2 1 337.424 -1.042 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745664 791685867 /nfs/dbraw/zinc/68/58/67/791685867.db2.gz DALVPTATSYWDAP-PJXYFTJBSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745664 791685860 /nfs/dbraw/zinc/68/58/60/791685860.db2.gz DALVPTATSYWDAP-PJXYFTJBSA-N 2 1 337.424 -1.170 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745676 791685819 /nfs/dbraw/zinc/68/58/19/791685819.db2.gz DINJWUVTYINHFJ-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745676 791685812 /nfs/dbraw/zinc/68/58/12/791685812.db2.gz DINJWUVTYINHFJ-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745678 791685504 /nfs/dbraw/zinc/68/55/04/791685504.db2.gz DINJWUVTYINHFJ-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745678 791685498 /nfs/dbraw/zinc/68/54/98/791685498.db2.gz DINJWUVTYINHFJ-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750271 791687073 /nfs/dbraw/zinc/68/70/73/791687073.db2.gz DLXUSZKAQQIUJW-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750271 791687065 /nfs/dbraw/zinc/68/70/65/791687065.db2.gz DLXUSZKAQQIUJW-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114750679 791687612 /nfs/dbraw/zinc/68/76/12/791687612.db2.gz MHFXZKSMMDNFTI-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114750884 791687441 /nfs/dbraw/zinc/68/74/41/791687441.db2.gz QBPFQQLKUGFJAK-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114750884 791687438 /nfs/dbraw/zinc/68/74/38/791687438.db2.gz QBPFQQLKUGFJAK-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769801 791691374 /nfs/dbraw/zinc/69/13/74/791691374.db2.gz ICKXRGFZOKTSPN-FTYKPCCVSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769801 791691369 /nfs/dbraw/zinc/69/13/69/791691369.db2.gz ICKXRGFZOKTSPN-FTYKPCCVSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769803 791690995 /nfs/dbraw/zinc/69/09/95/791690995.db2.gz ICKXRGFZOKTSPN-XEZLXBQYSA-N 2 1 337.424 -1.042 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769803 791690987 /nfs/dbraw/zinc/69/09/87/791690987.db2.gz ICKXRGFZOKTSPN-XEZLXBQYSA-N 2 1 337.424 -1.042 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114770573 791690773 /nfs/dbraw/zinc/69/07/73/791690773.db2.gz XITAOCKOVWBPII-IMRBUKKESA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114770573 791690761 /nfs/dbraw/zinc/69/07/61/791690761.db2.gz XITAOCKOVWBPII-IMRBUKKESA-N 2 1 337.424 -1.170 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001114770617 791691390 /nfs/dbraw/zinc/69/13/90/791691390.db2.gz YAJFQMLWPLROHB-WDNDVIMCSA-N 2 1 344.481 -1.076 20 0 EAADMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)CC1 ZINC001114770617 791691384 /nfs/dbraw/zinc/69/13/84/791691384.db2.gz YAJFQMLWPLROHB-WDNDVIMCSA-N 2 1 344.481 -1.076 20 0 EAADMP Cn1c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cc(=O)n(C)c1=O ZINC001114772150 791691051 /nfs/dbraw/zinc/69/10/51/791691051.db2.gz MIIZPEMDUWXBDI-VIKVFOODSA-N 2 1 349.435 -1.418 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001114774196 791690839 /nfs/dbraw/zinc/69/08/39/791690839.db2.gz JQRGMZJOTKKDMI-JYAVWHMHSA-N 2 1 337.424 -1.027 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)C[C@H]21 ZINC001114774196 791690833 /nfs/dbraw/zinc/69/08/33/791690833.db2.gz JQRGMZJOTKKDMI-JYAVWHMHSA-N 2 1 337.424 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774773 791691148 /nfs/dbraw/zinc/69/11/48/791691148.db2.gz ULFOPPYHHCQQPH-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774773 791691142 /nfs/dbraw/zinc/69/11/42/791691142.db2.gz ULFOPPYHHCQQPH-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114774962 791691174 /nfs/dbraw/zinc/69/11/74/791691174.db2.gz XOFJDFWSKXAEGM-ATCWAGBWSA-N 2 1 337.424 -2.057 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114774962 791691167 /nfs/dbraw/zinc/69/11/67/791691167.db2.gz XOFJDFWSKXAEGM-ATCWAGBWSA-N 2 1 337.424 -2.057 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CN3CCCC3=O)C[C@H]21 ZINC001114778060 791690655 /nfs/dbraw/zinc/69/06/55/791690655.db2.gz DTQCPZNEEPLVOX-SZOQZIPDSA-N 2 1 338.452 -1.032 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001114778792 791691335 /nfs/dbraw/zinc/69/13/35/791691335.db2.gz RMWUYEDCCMSJOC-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778824 791690816 /nfs/dbraw/zinc/69/08/16/791690816.db2.gz SAMJIMCWGBDNAK-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778824 791690814 /nfs/dbraw/zinc/69/08/14/791690814.db2.gz SAMJIMCWGBDNAK-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CN(CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001114779236 791690913 /nfs/dbraw/zinc/69/09/13/791690913.db2.gz ZSBUUFQRQVZROG-IMRBUKKESA-N 2 1 332.470 -1.124 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781762 791692685 /nfs/dbraw/zinc/69/26/85/791692685.db2.gz WWLWBHQIOYJELH-DCQANWLSSA-N 2 1 325.413 -1.171 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781762 791692683 /nfs/dbraw/zinc/69/26/83/791692683.db2.gz WWLWBHQIOYJELH-DCQANWLSSA-N 2 1 325.413 -1.171 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781764 791692661 /nfs/dbraw/zinc/69/26/61/791692661.db2.gz WWLWBHQIOYJELH-MEWQQHAOSA-N 2 1 325.413 -1.171 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114781764 791692657 /nfs/dbraw/zinc/69/26/57/791692657.db2.gz WWLWBHQIOYJELH-MEWQQHAOSA-N 2 1 325.413 -1.171 20 0 EAADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114794787 791692613 /nfs/dbraw/zinc/69/26/13/791692613.db2.gz PTRGQRDWBXJAQH-RSLMWUCJSA-N 2 1 325.413 -1.186 20 0 EAADMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21)[NH+](C)C ZINC001114794787 791692609 /nfs/dbraw/zinc/69/26/09/791692609.db2.gz PTRGQRDWBXJAQH-RSLMWUCJSA-N 2 1 325.413 -1.186 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831579 791696056 /nfs/dbraw/zinc/69/60/56/791696056.db2.gz CTAGJRUEBVYLQM-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831579 791696048 /nfs/dbraw/zinc/69/60/48/791696048.db2.gz CTAGJRUEBVYLQM-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831579 791696044 /nfs/dbraw/zinc/69/60/44/791696044.db2.gz CTAGJRUEBVYLQM-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831579 791696037 /nfs/dbraw/zinc/69/60/37/791696037.db2.gz CTAGJRUEBVYLQM-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831581 791695802 /nfs/dbraw/zinc/69/58/02/791695802.db2.gz CTAGJRUEBVYLQM-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831581 791695796 /nfs/dbraw/zinc/69/57/96/791695796.db2.gz CTAGJRUEBVYLQM-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831581 791695792 /nfs/dbraw/zinc/69/57/92/791695792.db2.gz CTAGJRUEBVYLQM-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001114831581 791695783 /nfs/dbraw/zinc/69/57/83/791695783.db2.gz CTAGJRUEBVYLQM-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114832005 791696250 /nfs/dbraw/zinc/69/62/50/791696250.db2.gz JUZJAQFBNFEQHY-FJJYHAOUSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114832005 791696241 /nfs/dbraw/zinc/69/62/41/791696241.db2.gz JUZJAQFBNFEQHY-FJJYHAOUSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832005 791696234 /nfs/dbraw/zinc/69/62/34/791696234.db2.gz JUZJAQFBNFEQHY-FJJYHAOUSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832005 791696225 /nfs/dbraw/zinc/69/62/25/791696225.db2.gz JUZJAQFBNFEQHY-FJJYHAOUSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114832008 791696316 /nfs/dbraw/zinc/69/63/16/791696316.db2.gz JUZJAQFBNFEQHY-UUIJZJDISA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114832008 791696308 /nfs/dbraw/zinc/69/63/08/791696308.db2.gz JUZJAQFBNFEQHY-UUIJZJDISA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832008 791696299 /nfs/dbraw/zinc/69/62/99/791696299.db2.gz JUZJAQFBNFEQHY-UUIJZJDISA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832008 791696287 /nfs/dbraw/zinc/69/62/87/791696287.db2.gz JUZJAQFBNFEQHY-UUIJZJDISA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114832325 791696154 /nfs/dbraw/zinc/69/61/54/791696154.db2.gz PAOFLDUYPUUGLA-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114832325 791696146 /nfs/dbraw/zinc/69/61/46/791696146.db2.gz PAOFLDUYPUUGLA-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832325 791696137 /nfs/dbraw/zinc/69/61/37/791696137.db2.gz PAOFLDUYPUUGLA-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832325 791696128 /nfs/dbraw/zinc/69/61/28/791696128.db2.gz PAOFLDUYPUUGLA-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114832328 791695903 /nfs/dbraw/zinc/69/59/03/791695903.db2.gz PAOFLDUYPUUGLA-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114832328 791695897 /nfs/dbraw/zinc/69/58/97/791695897.db2.gz PAOFLDUYPUUGLA-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832328 791695892 /nfs/dbraw/zinc/69/58/92/791695892.db2.gz PAOFLDUYPUUGLA-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832328 791695884 /nfs/dbraw/zinc/69/58/84/791695884.db2.gz PAOFLDUYPUUGLA-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114837589 791698228 /nfs/dbraw/zinc/69/82/28/791698228.db2.gz HWIMUPQGCSDVFS-YABSGUDNSA-N 2 1 337.424 -1.040 20 0 EAADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114837589 791698220 /nfs/dbraw/zinc/69/82/20/791698220.db2.gz HWIMUPQGCSDVFS-YABSGUDNSA-N 2 1 337.424 -1.040 20 0 EAADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114837589 791698211 /nfs/dbraw/zinc/69/82/11/791698211.db2.gz HWIMUPQGCSDVFS-YABSGUDNSA-N 2 1 337.424 -1.040 20 0 EAADMP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(N)=O)C[C@H]32)C1 ZINC001114837589 791698203 /nfs/dbraw/zinc/69/82/03/791698203.db2.gz HWIMUPQGCSDVFS-YABSGUDNSA-N 2 1 337.424 -1.040 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114848687 791700478 /nfs/dbraw/zinc/70/04/78/791700478.db2.gz DRHLXEYPLNECBJ-SRRSOLGSSA-N 2 1 325.413 -1.171 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21)[NH+](C)C ZINC001114848687 791700474 /nfs/dbraw/zinc/70/04/74/791700474.db2.gz DRHLXEYPLNECBJ-SRRSOLGSSA-N 2 1 325.413 -1.171 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001114854511 791700754 /nfs/dbraw/zinc/70/07/54/791700754.db2.gz PSVYTAJWMXZRAN-QNWHQSFQSA-N 2 1 332.470 -1.078 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001114854511 791700745 /nfs/dbraw/zinc/70/07/45/791700745.db2.gz PSVYTAJWMXZRAN-QNWHQSFQSA-N 2 1 332.470 -1.078 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21)[NH+](C)C ZINC001114854825 791701052 /nfs/dbraw/zinc/70/10/52/791701052.db2.gz RHFIFPRAENTZKQ-KZVDOYCCSA-N 2 1 337.424 -1.075 20 0 EAADMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114923633 791714188 /nfs/dbraw/zinc/71/41/88/791714188.db2.gz ARLUPABSROHILE-JYAVWHMHSA-N 2 1 337.424 -1.040 20 0 EAADMP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001114923633 791714182 /nfs/dbraw/zinc/71/41/82/791714182.db2.gz ARLUPABSROHILE-JYAVWHMHSA-N 2 1 337.424 -1.040 20 0 EAADMP CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001114980327 792599654 /nfs/dbraw/zinc/59/96/54/792599654.db2.gz PCGYGLPFNOTRQP-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001114980327 792599645 /nfs/dbraw/zinc/59/96/45/792599645.db2.gz PCGYGLPFNOTRQP-CTASWTNQSA-N 2 1 336.436 -1.014 20 0 EAADMP CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001114980329 785368628 /nfs/dbraw/zinc/36/86/28/785368628.db2.gz PCGYGLPFNOTRQP-KNCOVGOOSA-N 2 1 336.436 -1.014 20 0 EAADMP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+]2CCOCC2)C1=O ZINC001114980329 785368617 /nfs/dbraw/zinc/36/86/17/785368617.db2.gz PCGYGLPFNOTRQP-KNCOVGOOSA-N 2 1 336.436 -1.014 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980548 785369492 /nfs/dbraw/zinc/36/94/92/785369492.db2.gz STOWXWVQQQOOLK-NYTXWWLZSA-N 2 1 327.425 -1.238 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980548 785369482 /nfs/dbraw/zinc/36/94/82/785369482.db2.gz STOWXWVQQQOOLK-NYTXWWLZSA-N 2 1 327.425 -1.238 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980550 785369368 /nfs/dbraw/zinc/36/93/68/785369368.db2.gz STOWXWVQQQOOLK-TTZDDIAXSA-N 2 1 327.425 -1.238 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980550 785369357 /nfs/dbraw/zinc/36/93/57/785369357.db2.gz STOWXWVQQQOOLK-TTZDDIAXSA-N 2 1 327.425 -1.238 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114980808 785372121 /nfs/dbraw/zinc/37/21/21/785372121.db2.gz ZBIAGFMLFOIHBG-FOLVSLTJSA-N 2 1 327.425 -1.236 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114980808 785372112 /nfs/dbraw/zinc/37/21/12/785372112.db2.gz ZBIAGFMLFOIHBG-FOLVSLTJSA-N 2 1 327.425 -1.236 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114991337 792600610 /nfs/dbraw/zinc/60/06/10/792600610.db2.gz BSWLLCGATRMELP-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001114991337 792600604 /nfs/dbraw/zinc/60/06/04/792600604.db2.gz BSWLLCGATRMELP-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114996562 786149078 /nfs/dbraw/zinc/14/90/78/786149078.db2.gz AAQRKPFOIIIYSS-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114998739 786110411 /nfs/dbraw/zinc/11/04/11/786110411.db2.gz VJHJMIBQHUCQRJ-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114998739 786110405 /nfs/dbraw/zinc/11/04/05/786110405.db2.gz VJHJMIBQHUCQRJ-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115001429 792602878 /nfs/dbraw/zinc/60/28/78/792602878.db2.gz YCMFSKWWCWPPQR-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115001429 792602873 /nfs/dbraw/zinc/60/28/73/792602873.db2.gz YCMFSKWWCWPPQR-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115001432 792601961 /nfs/dbraw/zinc/60/19/61/792601961.db2.gz YCMFSKWWCWPPQR-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115001432 792601956 /nfs/dbraw/zinc/60/19/56/792601956.db2.gz YCMFSKWWCWPPQR-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001115013536 792602853 /nfs/dbraw/zinc/60/28/53/792602853.db2.gz OFGFTRJGUIHUAL-JYAVWHMHSA-N 2 1 337.424 -1.040 20 0 EAADMP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001115013536 792602844 /nfs/dbraw/zinc/60/28/44/792602844.db2.gz OFGFTRJGUIHUAL-JYAVWHMHSA-N 2 1 337.424 -1.040 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115073514 787956326 /nfs/dbraw/zinc/95/63/26/787956326.db2.gz BFVUVPSXOJWUNH-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115073514 787956321 /nfs/dbraw/zinc/95/63/21/787956321.db2.gz BFVUVPSXOJWUNH-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115073514 787956315 /nfs/dbraw/zinc/95/63/15/787956315.db2.gz BFVUVPSXOJWUNH-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115073514 787956307 /nfs/dbraw/zinc/95/63/07/787956307.db2.gz BFVUVPSXOJWUNH-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081193 792611252 /nfs/dbraw/zinc/61/12/52/792611252.db2.gz MOQHPQQCYOPLNH-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081193 792611247 /nfs/dbraw/zinc/61/12/47/792611247.db2.gz MOQHPQQCYOPLNH-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081193 792611240 /nfs/dbraw/zinc/61/12/40/792611240.db2.gz MOQHPQQCYOPLNH-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081193 792611237 /nfs/dbraw/zinc/61/12/37/792611237.db2.gz MOQHPQQCYOPLNH-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081196 792610530 /nfs/dbraw/zinc/61/05/30/792610530.db2.gz MOQHPQQCYOPLNH-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081196 792610522 /nfs/dbraw/zinc/61/05/22/792610522.db2.gz MOQHPQQCYOPLNH-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081196 792610519 /nfs/dbraw/zinc/61/05/19/792610519.db2.gz MOQHPQQCYOPLNH-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115081196 792610512 /nfs/dbraw/zinc/61/05/12/792610512.db2.gz MOQHPQQCYOPLNH-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115081325 792610280 /nfs/dbraw/zinc/61/02/80/792610280.db2.gz PJGQSKOMGNEXRI-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115081325 792610278 /nfs/dbraw/zinc/61/02/78/792610278.db2.gz PJGQSKOMGNEXRI-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115081325 792610273 /nfs/dbraw/zinc/61/02/73/792610273.db2.gz PJGQSKOMGNEXRI-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115081325 792610269 /nfs/dbraw/zinc/61/02/69/792610269.db2.gz PJGQSKOMGNEXRI-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115081880 792610729 /nfs/dbraw/zinc/61/07/29/792610729.db2.gz ZUCFPVPIVJPGMT-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115081880 792610727 /nfs/dbraw/zinc/61/07/27/792610727.db2.gz ZUCFPVPIVJPGMT-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115081880 792610720 /nfs/dbraw/zinc/61/07/20/792610720.db2.gz ZUCFPVPIVJPGMT-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115118582 792616654 /nfs/dbraw/zinc/61/66/54/792616654.db2.gz IJZFSWQWKASYDX-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115118582 792616646 /nfs/dbraw/zinc/61/66/46/792616646.db2.gz IJZFSWQWKASYDX-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115118582 792616640 /nfs/dbraw/zinc/61/66/40/792616640.db2.gz IJZFSWQWKASYDX-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115118582 792616632 /nfs/dbraw/zinc/61/66/32/792616632.db2.gz IJZFSWQWKASYDX-FJJYHAOUSA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115118585 792616124 /nfs/dbraw/zinc/61/61/24/792616124.db2.gz IJZFSWQWKASYDX-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115118585 792616119 /nfs/dbraw/zinc/61/61/19/792616119.db2.gz IJZFSWQWKASYDX-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115118585 792616111 /nfs/dbraw/zinc/61/61/11/792616111.db2.gz IJZFSWQWKASYDX-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115118585 792616101 /nfs/dbraw/zinc/61/61/01/792616101.db2.gz IJZFSWQWKASYDX-UUIJZJDISA-N 2 1 337.424 -1.170 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118725 792615393 /nfs/dbraw/zinc/61/53/93/792615393.db2.gz KQZDZXPUXKNLGX-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118725 792615386 /nfs/dbraw/zinc/61/53/86/792615386.db2.gz KQZDZXPUXKNLGX-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118725 792615382 /nfs/dbraw/zinc/61/53/82/792615382.db2.gz KQZDZXPUXKNLGX-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118725 792615377 /nfs/dbraw/zinc/61/53/77/792615377.db2.gz KQZDZXPUXKNLGX-CXTNEJHOSA-N 2 1 344.481 -1.076 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118727 792615456 /nfs/dbraw/zinc/61/54/56/792615456.db2.gz KQZDZXPUXKNLGX-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118727 792615453 /nfs/dbraw/zinc/61/54/53/792615453.db2.gz KQZDZXPUXKNLGX-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118727 792615449 /nfs/dbraw/zinc/61/54/49/792615449.db2.gz KQZDZXPUXKNLGX-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115118727 792615444 /nfs/dbraw/zinc/61/54/44/792615444.db2.gz KQZDZXPUXKNLGX-RMRHIDDWSA-N 2 1 344.481 -1.076 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120808 792616198 /nfs/dbraw/zinc/61/61/98/792616198.db2.gz GHWMBTUOYFYSAX-IMRBUKKESA-N 2 1 349.435 -1.026 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120808 792616190 /nfs/dbraw/zinc/61/61/90/792616190.db2.gz GHWMBTUOYFYSAX-IMRBUKKESA-N 2 1 349.435 -1.026 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122978 792616717 /nfs/dbraw/zinc/61/67/17/792616717.db2.gz HOXREKPMMNBVJR-NDBYEHHHSA-N 2 1 349.435 -1.027 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122978 792616709 /nfs/dbraw/zinc/61/67/09/792616709.db2.gz HOXREKPMMNBVJR-NDBYEHHHSA-N 2 1 349.435 -1.027 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122981 792616505 /nfs/dbraw/zinc/61/65/05/792616505.db2.gz HOXREKPMMNBVJR-WUHRBBMRSA-N 2 1 349.435 -1.027 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122981 792616500 /nfs/dbraw/zinc/61/65/00/792616500.db2.gz HOXREKPMMNBVJR-WUHRBBMRSA-N 2 1 349.435 -1.027 20 0 EAADMP CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123037 790619599 /nfs/dbraw/zinc/61/95/99/790619599.db2.gz INLLJZVIHPOMIY-ITGUQSILSA-N 2 1 342.465 -1.322 20 0 EAADMP CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123037 790619592 /nfs/dbraw/zinc/61/95/92/790619592.db2.gz INLLJZVIHPOMIY-ITGUQSILSA-N 2 1 342.465 -1.322 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123486 792616164 /nfs/dbraw/zinc/61/61/64/792616164.db2.gz QVFZWIXVPMFMPR-PJXYFTJBSA-N 2 1 335.408 -1.416 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123486 792616156 /nfs/dbraw/zinc/61/61/56/792616156.db2.gz QVFZWIXVPMFMPR-PJXYFTJBSA-N 2 1 335.408 -1.416 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123627 792616693 /nfs/dbraw/zinc/61/66/93/792616693.db2.gz SWQFABVKEIEPAZ-NNYUYHANSA-N 2 1 335.408 -1.288 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123627 792616686 /nfs/dbraw/zinc/61/66/86/792616686.db2.gz SWQFABVKEIEPAZ-NNYUYHANSA-N 2 1 335.408 -1.288 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123629 792617541 /nfs/dbraw/zinc/61/75/41/792617541.db2.gz SWQFABVKEIEPAZ-WYUUTHIRSA-N 2 1 335.408 -1.288 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123629 792617534 /nfs/dbraw/zinc/61/75/34/792617534.db2.gz SWQFABVKEIEPAZ-WYUUTHIRSA-N 2 1 335.408 -1.288 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125768 792617384 /nfs/dbraw/zinc/61/73/84/792617384.db2.gz BUGDCMVDLCRVCQ-DCQANWLSSA-N 2 1 341.412 -1.806 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125768 792617374 /nfs/dbraw/zinc/61/73/74/792617374.db2.gz BUGDCMVDLCRVCQ-DCQANWLSSA-N 2 1 341.412 -1.806 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125770 792617958 /nfs/dbraw/zinc/61/79/58/792617958.db2.gz BUGDCMVDLCRVCQ-MEWQQHAOSA-N 2 1 341.412 -1.806 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125770 792617949 /nfs/dbraw/zinc/61/79/49/792617949.db2.gz BUGDCMVDLCRVCQ-MEWQQHAOSA-N 2 1 341.412 -1.806 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125815 792617258 /nfs/dbraw/zinc/61/72/58/792617258.db2.gz CFLWZYMQVSWZBD-YABSGUDNSA-N 2 1 341.412 -1.933 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125815 792617252 /nfs/dbraw/zinc/61/72/52/792617252.db2.gz CFLWZYMQVSWZBD-YABSGUDNSA-N 2 1 341.412 -1.933 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115125912 792617597 /nfs/dbraw/zinc/61/75/97/792617597.db2.gz DPFAZIUNBRTUSY-NHAGDIPZSA-N 2 1 339.440 -1.364 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115125969 792617769 /nfs/dbraw/zinc/61/77/69/792617769.db2.gz FVCYLWFAOUWLCU-IMRBUKKESA-N 2 1 348.469 -1.840 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115125969 792617760 /nfs/dbraw/zinc/61/77/60/792617760.db2.gz FVCYLWFAOUWLCU-IMRBUKKESA-N 2 1 348.469 -1.840 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115126343 792617437 /nfs/dbraw/zinc/61/74/37/792617437.db2.gz MOMXJZPOBBPLGR-IWIIMEHWSA-N 2 1 327.385 -2.194 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115126343 792617427 /nfs/dbraw/zinc/61/74/27/792617427.db2.gz MOMXJZPOBBPLGR-IWIIMEHWSA-N 2 1 327.385 -2.194 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115126582 792617570 /nfs/dbraw/zinc/61/75/70/792617570.db2.gz PVNJGUIKURHBIE-OZTPJHRESA-N 2 1 338.408 -1.584 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115126584 792617517 /nfs/dbraw/zinc/61/75/17/792617517.db2.gz PVNJGUIKURHBIE-ZAZJYDDPSA-N 2 1 338.408 -1.584 20 0 EAADMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115144170 792618459 /nfs/dbraw/zinc/61/84/59/792618459.db2.gz RMPRNQIFHORKON-YABSGUDNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115144170 792618457 /nfs/dbraw/zinc/61/84/57/792618457.db2.gz RMPRNQIFHORKON-YABSGUDNSA-N 2 1 325.413 -1.040 20 0 EAADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115151869 792619070 /nfs/dbraw/zinc/61/90/70/792619070.db2.gz NPWSWRNDCQDKNC-YABSGUDNSA-N 2 1 325.413 -1.040 20 0 EAADMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115151869 792619061 /nfs/dbraw/zinc/61/90/61/792619061.db2.gz NPWSWRNDCQDKNC-YABSGUDNSA-N 2 1 325.413 -1.040 20 0 EAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115151869 792619056 /nfs/dbraw/zinc/61/90/56/792619056.db2.gz NPWSWRNDCQDKNC-YABSGUDNSA-N 2 1 325.413 -1.040 20 0 EAADMP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]21 ZINC001115151869 792619042 /nfs/dbraw/zinc/61/90/42/792619042.db2.gz NPWSWRNDCQDKNC-YABSGUDNSA-N 2 1 325.413 -1.040 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151942 792618807 /nfs/dbraw/zinc/61/88/07/792618807.db2.gz OVLXYWRUPGWTCC-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151942 792618799 /nfs/dbraw/zinc/61/87/99/792618799.db2.gz OVLXYWRUPGWTCC-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151942 792618791 /nfs/dbraw/zinc/61/87/91/792618791.db2.gz OVLXYWRUPGWTCC-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151942 792618783 /nfs/dbraw/zinc/61/87/83/792618783.db2.gz OVLXYWRUPGWTCC-DCQANWLSSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151945 792619272 /nfs/dbraw/zinc/61/92/72/792619272.db2.gz OVLXYWRUPGWTCC-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151945 792619267 /nfs/dbraw/zinc/61/92/67/792619267.db2.gz OVLXYWRUPGWTCC-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151945 792619262 /nfs/dbraw/zinc/61/92/62/792619262.db2.gz OVLXYWRUPGWTCC-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115151945 792619256 /nfs/dbraw/zinc/61/92/56/792619256.db2.gz OVLXYWRUPGWTCC-MEWQQHAOSA-N 2 1 325.413 -1.042 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115159697 792620566 /nfs/dbraw/zinc/62/05/66/792620566.db2.gz JSDFRZLQPPURQG-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115159697 792620561 /nfs/dbraw/zinc/62/05/61/792620561.db2.gz JSDFRZLQPPURQG-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115159697 792620558 /nfs/dbraw/zinc/62/05/58/792620558.db2.gz JSDFRZLQPPURQG-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001115159697 792620552 /nfs/dbraw/zinc/62/05/52/792620552.db2.gz JSDFRZLQPPURQG-YABSGUDNSA-N 2 1 325.413 -1.170 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115161479 792620219 /nfs/dbraw/zinc/62/02/19/792620219.db2.gz GMFYGJLNKCOXPJ-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115161479 792620210 /nfs/dbraw/zinc/62/02/10/792620210.db2.gz GMFYGJLNKCOXPJ-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115161479 792620202 /nfs/dbraw/zinc/62/02/02/792620202.db2.gz GMFYGJLNKCOXPJ-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115161479 792620194 /nfs/dbraw/zinc/62/01/94/792620194.db2.gz GMFYGJLNKCOXPJ-IMRBUKKESA-N 2 1 332.470 -1.076 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115161494 792619692 /nfs/dbraw/zinc/61/96/92/792619692.db2.gz GRKZQFHBLWZVDM-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115161494 792619685 /nfs/dbraw/zinc/61/96/85/792619685.db2.gz GRKZQFHBLWZVDM-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115161494 792619679 /nfs/dbraw/zinc/61/96/79/792619679.db2.gz GRKZQFHBLWZVDM-JYAVWHMHSA-N 2 1 337.424 -1.074 20 0 EAADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241066 792635191 /nfs/dbraw/zinc/63/51/91/792635191.db2.gz BFKKGRALTJTXRQ-IGQOVBAYSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241066 792635187 /nfs/dbraw/zinc/63/51/87/792635187.db2.gz BFKKGRALTJTXRQ-IGQOVBAYSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241066 792635184 /nfs/dbraw/zinc/63/51/84/792635184.db2.gz BFKKGRALTJTXRQ-IGQOVBAYSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241066 792635181 /nfs/dbraw/zinc/63/51/81/792635181.db2.gz BFKKGRALTJTXRQ-IGQOVBAYSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241068 792634623 /nfs/dbraw/zinc/63/46/23/792634623.db2.gz BFKKGRALTJTXRQ-MQYQWHSLSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241068 792634614 /nfs/dbraw/zinc/63/46/14/792634614.db2.gz BFKKGRALTJTXRQ-MQYQWHSLSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241068 792634611 /nfs/dbraw/zinc/63/46/11/792634611.db2.gz BFKKGRALTJTXRQ-MQYQWHSLSA-N 2 1 344.481 -1.076 20 0 EAADMP CCS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241068 792634605 /nfs/dbraw/zinc/63/46/05/792634605.db2.gz BFKKGRALTJTXRQ-MQYQWHSLSA-N 2 1 344.481 -1.076 20 0 EAADMP CN(CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001115241458 791433845 /nfs/dbraw/zinc/43/38/45/791433845.db2.gz IHMFXVSXLJYVDL-IGQOVBAYSA-N 2 1 344.481 -1.124 20 0 EAADMP CN(CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001115241458 791433832 /nfs/dbraw/zinc/43/38/32/791433832.db2.gz IHMFXVSXLJYVDL-IGQOVBAYSA-N 2 1 344.481 -1.124 20 0 EAADMP CN(CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001115241458 791433827 /nfs/dbraw/zinc/43/38/27/791433827.db2.gz IHMFXVSXLJYVDL-IGQOVBAYSA-N 2 1 344.481 -1.124 20 0 EAADMP CN(CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)S(C)(=O)=O ZINC001115241459 791434239 /nfs/dbraw/zinc/43/42/39/791434239.db2.gz IHMFXVSXLJYVDL-MQYQWHSLSA-N 2 1 344.481 -1.124 20 0 EAADMP CN(CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001115241459 791434229 /nfs/dbraw/zinc/43/42/29/791434229.db2.gz IHMFXVSXLJYVDL-MQYQWHSLSA-N 2 1 344.481 -1.124 20 0 EAADMP CN(CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001115241459 791434222 /nfs/dbraw/zinc/43/42/22/791434222.db2.gz IHMFXVSXLJYVDL-MQYQWHSLSA-N 2 1 344.481 -1.124 20 0 EAADMP CS(=O)(=O)NCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241660 791434442 /nfs/dbraw/zinc/43/44/42/791434442.db2.gz MJPXFOLXMYJHNB-IMRBUKKESA-N 2 1 330.454 -1.322 20 0 EAADMP CS(=O)(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241660 791434435 /nfs/dbraw/zinc/43/44/35/791434435.db2.gz MJPXFOLXMYJHNB-IMRBUKKESA-N 2 1 330.454 -1.322 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241733 792634920 /nfs/dbraw/zinc/63/49/20/792634920.db2.gz NPYBXDQORPEXGT-MUYACECFSA-N 2 1 349.435 -1.027 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241733 792634913 /nfs/dbraw/zinc/63/49/13/792634913.db2.gz NPYBXDQORPEXGT-MUYACECFSA-N 2 1 349.435 -1.027 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241733 792634907 /nfs/dbraw/zinc/63/49/07/792634907.db2.gz NPYBXDQORPEXGT-MUYACECFSA-N 2 1 349.435 -1.027 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241733 792634900 /nfs/dbraw/zinc/63/49/00/792634900.db2.gz NPYBXDQORPEXGT-MUYACECFSA-N 2 1 349.435 -1.027 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241734 792635163 /nfs/dbraw/zinc/63/51/63/792635163.db2.gz NPYBXDQORPEXGT-PBOSXPJTSA-N 2 1 349.435 -1.027 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241734 792635159 /nfs/dbraw/zinc/63/51/59/792635159.db2.gz NPYBXDQORPEXGT-PBOSXPJTSA-N 2 1 349.435 -1.027 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241734 792635153 /nfs/dbraw/zinc/63/51/53/792635153.db2.gz NPYBXDQORPEXGT-PBOSXPJTSA-N 2 1 349.435 -1.027 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NC(=O)NC4CC4)C[C@H]32)C1 ZINC001115241734 792635147 /nfs/dbraw/zinc/63/51/47/792635147.db2.gz NPYBXDQORPEXGT-PBOSXPJTSA-N 2 1 349.435 -1.027 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241886 792635026 /nfs/dbraw/zinc/63/50/26/792635026.db2.gz QNUZGVXBUPQANM-JYAVWHMHSA-N 2 1 337.424 -1.026 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241886 792635021 /nfs/dbraw/zinc/63/50/21/792635021.db2.gz QNUZGVXBUPQANM-JYAVWHMHSA-N 2 1 337.424 -1.026 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242172 792634678 /nfs/dbraw/zinc/63/46/78/792634678.db2.gz WVKZFTVYAVCPOQ-CIQGVGRVSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242172 792634674 /nfs/dbraw/zinc/63/46/74/792634674.db2.gz WVKZFTVYAVCPOQ-CIQGVGRVSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242172 792634667 /nfs/dbraw/zinc/63/46/67/792634667.db2.gz WVKZFTVYAVCPOQ-CIQGVGRVSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242172 792634662 /nfs/dbraw/zinc/63/46/62/792634662.db2.gz WVKZFTVYAVCPOQ-CIQGVGRVSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242174 792635221 /nfs/dbraw/zinc/63/52/21/792635221.db2.gz WVKZFTVYAVCPOQ-NMKXLXIOSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242174 792635217 /nfs/dbraw/zinc/63/52/17/792635217.db2.gz WVKZFTVYAVCPOQ-NMKXLXIOSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242174 792635213 /nfs/dbraw/zinc/63/52/13/792635213.db2.gz WVKZFTVYAVCPOQ-NMKXLXIOSA-N 2 1 337.424 -1.170 20 0 EAADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242174 792635207 /nfs/dbraw/zinc/63/52/07/792635207.db2.gz WVKZFTVYAVCPOQ-NMKXLXIOSA-N 2 1 337.424 -1.170 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242176 792634424 /nfs/dbraw/zinc/63/44/24/792634424.db2.gz WWCGBLHZHOEXAK-NDBYEHHHSA-N 2 1 330.454 -1.466 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242176 792634416 /nfs/dbraw/zinc/63/44/16/792634416.db2.gz WWCGBLHZHOEXAK-NDBYEHHHSA-N 2 1 330.454 -1.466 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242176 792634411 /nfs/dbraw/zinc/63/44/11/792634411.db2.gz WWCGBLHZHOEXAK-NDBYEHHHSA-N 2 1 330.454 -1.466 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242176 792634405 /nfs/dbraw/zinc/63/44/05/792634405.db2.gz WWCGBLHZHOEXAK-NDBYEHHHSA-N 2 1 330.454 -1.466 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242179 792634849 /nfs/dbraw/zinc/63/48/49/792634849.db2.gz WWCGBLHZHOEXAK-WUHRBBMRSA-N 2 1 330.454 -1.466 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242179 792634843 /nfs/dbraw/zinc/63/48/43/792634843.db2.gz WWCGBLHZHOEXAK-WUHRBBMRSA-N 2 1 330.454 -1.466 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242179 792634839 /nfs/dbraw/zinc/63/48/39/792634839.db2.gz WWCGBLHZHOEXAK-WUHRBBMRSA-N 2 1 330.454 -1.466 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNS(C)(=O)=O)C[C@H]32)C1 ZINC001115242179 792634831 /nfs/dbraw/zinc/63/48/31/792634831.db2.gz WWCGBLHZHOEXAK-WUHRBBMRSA-N 2 1 330.454 -1.466 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243956 792636184 /nfs/dbraw/zinc/63/61/84/792636184.db2.gz YDJBLVTZYKZDPP-CIQGVGRVSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243956 792636179 /nfs/dbraw/zinc/63/61/79/792636179.db2.gz YDJBLVTZYKZDPP-CIQGVGRVSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243957 792635967 /nfs/dbraw/zinc/63/59/67/792635967.db2.gz YDJBLVTZYKZDPP-NMKXLXIOSA-N 2 1 337.424 -1.027 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243957 792635963 /nfs/dbraw/zinc/63/59/63/792635963.db2.gz YDJBLVTZYKZDPP-NMKXLXIOSA-N 2 1 337.424 -1.027 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001115272317 792643266 /nfs/dbraw/zinc/64/32/66/792643266.db2.gz ZBZBCRWHDCERBH-BARDWOONSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001115272317 792643258 /nfs/dbraw/zinc/64/32/58/792643258.db2.gz ZBZBCRWHDCERBH-BARDWOONSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115272317 792643251 /nfs/dbraw/zinc/64/32/51/792643251.db2.gz ZBZBCRWHDCERBH-BARDWOONSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115272317 792643244 /nfs/dbraw/zinc/64/32/44/792643244.db2.gz ZBZBCRWHDCERBH-BARDWOONSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001115272319 792642878 /nfs/dbraw/zinc/64/28/78/792642878.db2.gz ZBZBCRWHDCERBH-LJISPDSOSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001115272319 792642872 /nfs/dbraw/zinc/64/28/72/792642872.db2.gz ZBZBCRWHDCERBH-LJISPDSOSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115272319 792642867 /nfs/dbraw/zinc/64/28/67/792642867.db2.gz ZBZBCRWHDCERBH-LJISPDSOSA-N 2 1 327.425 -1.238 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001115272319 792642863 /nfs/dbraw/zinc/64/28/63/792642863.db2.gz ZBZBCRWHDCERBH-LJISPDSOSA-N 2 1 327.425 -1.238 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300216 792646671 /nfs/dbraw/zinc/64/66/71/792646671.db2.gz NPEJKXQLSWDWFR-DCQANWLSSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300216 792646670 /nfs/dbraw/zinc/64/66/70/792646670.db2.gz NPEJKXQLSWDWFR-DCQANWLSSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300216 792646666 /nfs/dbraw/zinc/64/66/66/792646666.db2.gz NPEJKXQLSWDWFR-DCQANWLSSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300216 792646663 /nfs/dbraw/zinc/64/66/63/792646663.db2.gz NPEJKXQLSWDWFR-DCQANWLSSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300219 792648414 /nfs/dbraw/zinc/64/84/14/792648414.db2.gz NPEJKXQLSWDWFR-MEWQQHAOSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300219 792648406 /nfs/dbraw/zinc/64/84/06/792648406.db2.gz NPEJKXQLSWDWFR-MEWQQHAOSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300219 792648398 /nfs/dbraw/zinc/64/83/98/792648398.db2.gz NPEJKXQLSWDWFR-MEWQQHAOSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001115300219 792648390 /nfs/dbraw/zinc/64/83/90/792648390.db2.gz NPEJKXQLSWDWFR-MEWQQHAOSA-N 2 1 325.413 -1.044 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115303261 786545941 /nfs/dbraw/zinc/54/59/41/786545941.db2.gz AAKSPAAHNKEROQ-IMRBUKKESA-N 2 1 332.470 -1.078 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115303261 786545935 /nfs/dbraw/zinc/54/59/35/786545935.db2.gz AAKSPAAHNKEROQ-IMRBUKKESA-N 2 1 332.470 -1.078 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115303261 786545926 /nfs/dbraw/zinc/54/59/26/786545926.db2.gz AAKSPAAHNKEROQ-IMRBUKKESA-N 2 1 332.470 -1.078 20 0 EAADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCNS(C)(=O)=O)C[C@H]21 ZINC001115303261 786545922 /nfs/dbraw/zinc/54/59/22/786545922.db2.gz AAKSPAAHNKEROQ-IMRBUKKESA-N 2 1 332.470 -1.078 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303334 786546319 /nfs/dbraw/zinc/54/63/19/786546319.db2.gz BGKWTRFZAGQMRQ-YABSGUDNSA-N 2 1 325.413 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303334 786546315 /nfs/dbraw/zinc/54/63/15/786546315.db2.gz BGKWTRFZAGQMRQ-YABSGUDNSA-N 2 1 325.413 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303334 786546311 /nfs/dbraw/zinc/54/63/11/786546311.db2.gz BGKWTRFZAGQMRQ-YABSGUDNSA-N 2 1 325.413 -1.171 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303334 786546305 /nfs/dbraw/zinc/54/63/05/786546305.db2.gz BGKWTRFZAGQMRQ-YABSGUDNSA-N 2 1 325.413 -1.171 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115303589 792648186 /nfs/dbraw/zinc/64/81/86/792648186.db2.gz GNSUWTSGHWXVOJ-JYAVWHMHSA-N 2 1 337.424 -1.075 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115303589 792648183 /nfs/dbraw/zinc/64/81/83/792648183.db2.gz GNSUWTSGHWXVOJ-JYAVWHMHSA-N 2 1 337.424 -1.075 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001115303589 792648178 /nfs/dbraw/zinc/64/81/78/792648178.db2.gz GNSUWTSGHWXVOJ-JYAVWHMHSA-N 2 1 337.424 -1.075 20 0 EAADMP NC(=O)N[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC001116418128 792665916 /nfs/dbraw/zinc/66/59/16/792665916.db2.gz PLMAFYADQPMHRG-RYUDHWBXSA-N 2 1 328.417 -1.512 20 0 EAADMP NC(=O)N[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](NC(N)=O)C2)C1 ZINC001116418130 792666006 /nfs/dbraw/zinc/66/60/06/792666006.db2.gz PLMAFYADQPMHRG-TXEJJXNPSA-N 2 1 328.417 -1.512 20 0 EAADMP NC(=O)N[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](NC(N)=O)C2)C1 ZINC001116418130 792666003 /nfs/dbraw/zinc/66/60/03/792666003.db2.gz PLMAFYADQPMHRG-TXEJJXNPSA-N 2 1 328.417 -1.512 20 0 EAADMP NC(=O)N[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC001116418130 792665999 /nfs/dbraw/zinc/66/59/99/792665999.db2.gz PLMAFYADQPMHRG-TXEJJXNPSA-N 2 1 328.417 -1.512 20 0 EAADMP NC(=O)N[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC001116418132 792666144 /nfs/dbraw/zinc/66/61/44/792666144.db2.gz PLMAFYADQPMHRG-VXGBXAGGSA-N 2 1 328.417 -1.512 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC001117047233 792679040 /nfs/dbraw/zinc/67/90/40/792679040.db2.gz CEIJJMYOKAYACM-UHFFFAOYSA-N 2 1 327.429 -1.667 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC001117507495 792707932 /nfs/dbraw/zinc/70/79/32/792707932.db2.gz MZVQPJBQNAEHAR-FZKCQIBNSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC001117507495 792707924 /nfs/dbraw/zinc/70/79/24/792707924.db2.gz MZVQPJBQNAEHAR-FZKCQIBNSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[N@@H+](CCOCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC001117507495 792707915 /nfs/dbraw/zinc/70/79/15/792707915.db2.gz MZVQPJBQNAEHAR-FZKCQIBNSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001117507496 792708186 /nfs/dbraw/zinc/70/81/86/792708186.db2.gz MZVQPJBQNAEHAR-GEEKYZPCSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001117507496 792708178 /nfs/dbraw/zinc/70/81/78/792708178.db2.gz MZVQPJBQNAEHAR-GEEKYZPCSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[N@@H+](CCOCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC001117507496 792708174 /nfs/dbraw/zinc/70/81/74/792708174.db2.gz MZVQPJBQNAEHAR-GEEKYZPCSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001117507497 792707513 /nfs/dbraw/zinc/70/75/13/792707513.db2.gz MZVQPJBQNAEHAR-QKPAOTATSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001117507497 792707506 /nfs/dbraw/zinc/70/75/06/792707506.db2.gz MZVQPJBQNAEHAR-QKPAOTATSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[N@@H+](CCOCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC001117507497 792707496 /nfs/dbraw/zinc/70/74/96/792707496.db2.gz MZVQPJBQNAEHAR-QKPAOTATSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC001117507498 792707961 /nfs/dbraw/zinc/70/79/61/792707961.db2.gz MZVQPJBQNAEHAR-SYMSYNOKSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC001117507498 792707954 /nfs/dbraw/zinc/70/79/54/792707954.db2.gz MZVQPJBQNAEHAR-SYMSYNOKSA-N 2 1 332.441 -1.647 20 0 EAADMP OC[C@H]1CC[N@@H+](CCOCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC001117507498 792707946 /nfs/dbraw/zinc/70/79/46/792707946.db2.gz MZVQPJBQNAEHAR-SYMSYNOKSA-N 2 1 332.441 -1.647 20 0 EAADMP CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC001118042785 792722226 /nfs/dbraw/zinc/72/22/26/792722226.db2.gz CGTBIAVSMSCTSK-UHFFFAOYSA-N 2 1 325.457 -1.050 20 0 EAADMP O=C1NC(=O)[C@@H]2C[NH+](CCCC[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)C[C@H]12 ZINC001118197642 792729154 /nfs/dbraw/zinc/72/91/54/792729154.db2.gz MOSDWMLZIABVKK-BKUVIOGVSA-N 2 1 334.376 -1.825 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001118330163 792740320 /nfs/dbraw/zinc/74/03/20/792740320.db2.gz GKVWZTKVXHJXEC-AWEZNQCLSA-N 2 1 325.457 -1.064 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC001118330164 792740364 /nfs/dbraw/zinc/74/03/64/792740364.db2.gz GKVWZTKVXHJXEC-CQSZACIVSA-N 2 1 325.457 -1.064 20 0 EAADMP OC(CN1CC[NH+]2C[C@H](O)C[C@H]2C1)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118370022 792744541 /nfs/dbraw/zinc/74/45/41/792744541.db2.gz XKRXMKTYBRIEOB-CAOSSQGBSA-N 2 1 340.468 -2.151 20 0 EAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118389741 792746094 /nfs/dbraw/zinc/74/60/94/792746094.db2.gz PPGQUPVNKBZAQA-XQQFMLRXSA-N 2 1 326.397 -2.242 20 0 EAADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001118389916 792745292 /nfs/dbraw/zinc/74/52/92/792745292.db2.gz PPGQUPVNKBZAQA-YNEHKIRRSA-N 2 1 326.397 -2.242 20 0 EAADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC001118395734 792746109 /nfs/dbraw/zinc/74/61/09/792746109.db2.gz UOVNFIHESBXELC-XQQFMLRXSA-N 2 1 326.397 -2.160 20 0 EAADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC001118395737 792746072 /nfs/dbraw/zinc/74/60/72/792746072.db2.gz UOVNFIHESBXELC-YNEHKIRRSA-N 2 1 326.397 -2.160 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118403629 792746039 /nfs/dbraw/zinc/74/60/39/792746039.db2.gz RKMKZBAUILHDHD-HZSPNIEDSA-N 2 1 325.457 -1.195 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001118403630 792745701 /nfs/dbraw/zinc/74/57/01/792745701.db2.gz RKMKZBAUILHDHD-MJBXVCDLSA-N 2 1 325.457 -1.195 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001118482407 792749995 /nfs/dbraw/zinc/74/99/95/792749995.db2.gz MLEGXEJGQIWDRL-LBPRGKRZSA-N 2 1 325.413 -1.867 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC001118486338 792749330 /nfs/dbraw/zinc/74/93/30/792749330.db2.gz LOVORUXCFTUMOP-UHFFFAOYSA-N 2 1 337.424 -1.819 20 0 EAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001118486354 792749287 /nfs/dbraw/zinc/74/92/87/792749287.db2.gz LVOVEWBLACGSQI-NEPJUHHUSA-N 2 1 325.413 -1.832 20 0 EAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC001118486355 792750155 /nfs/dbraw/zinc/75/01/55/792750155.db2.gz LVOVEWBLACGSQI-RYUDHWBXSA-N 2 1 325.413 -1.832 20 0 EAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118490876 792749215 /nfs/dbraw/zinc/74/92/15/792749215.db2.gz POMDWJYUYMEJEJ-LLVKDONJSA-N 2 1 336.396 -1.190 20 0 EAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118490877 792750077 /nfs/dbraw/zinc/75/00/77/792750077.db2.gz POMDWJYUYMEJEJ-NSHDSACASA-N 2 1 336.396 -1.190 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC001118547345 792753755 /nfs/dbraw/zinc/75/37/55/792753755.db2.gz VVCBIXUBPKQBPM-CYBMUJFWSA-N 2 1 341.456 -1.197 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001118549057 792753553 /nfs/dbraw/zinc/75/35/53/792753553.db2.gz VQKUUVHXMSAOAV-UHFFFAOYSA-N 2 1 327.429 -1.538 20 0 EAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118553292 792754598 /nfs/dbraw/zinc/75/45/98/792754598.db2.gz RNTWGYJROJTIAN-JTQLQIEISA-N 2 1 336.396 -1.142 20 0 EAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC001118553293 792755032 /nfs/dbraw/zinc/75/50/32/792755032.db2.gz RNTWGYJROJTIAN-SNVBAGLBSA-N 2 1 336.396 -1.142 20 0 EAADMP NC(=O)[C@@H]1C[C@@H](O)C[NH+]1CCCCCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC001118855546 792770230 /nfs/dbraw/zinc/77/02/30/792770230.db2.gz JCZDHABHERWAJU-MQYQWHSLSA-N 2 1 342.440 -1.612 20 0 EAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)CCOCC[NH3+])n1C ZINC001118864527 792770654 /nfs/dbraw/zinc/77/06/54/792770654.db2.gz CLKAJCPMHZIFJZ-UHFFFAOYSA-N 2 1 326.401 -1.464 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118865081 792771002 /nfs/dbraw/zinc/77/10/02/792771002.db2.gz IKGLKXRJEKXUTL-KBPBESRZSA-N 2 1 341.456 -1.685 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118865087 792770842 /nfs/dbraw/zinc/77/08/42/792770842.db2.gz IKGLKXRJEKXUTL-KGLIPLIRSA-N 2 1 341.456 -1.685 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118865088 792770760 /nfs/dbraw/zinc/77/07/60/792770760.db2.gz IKGLKXRJEKXUTL-UONOGXRCSA-N 2 1 341.456 -1.685 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001118865090 792770802 /nfs/dbraw/zinc/77/08/02/792770802.db2.gz IKGLKXRJEKXUTL-ZIAGYGMSSA-N 2 1 341.456 -1.685 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001118867124 792770889 /nfs/dbraw/zinc/77/08/89/792770889.db2.gz IAEXMNWFMKZVPT-NEPJUHHUSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC001118867124 792770882 /nfs/dbraw/zinc/77/08/82/792770882.db2.gz IAEXMNWFMKZVPT-NEPJUHHUSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC001118867125 792771676 /nfs/dbraw/zinc/77/16/76/792771676.db2.gz IAEXMNWFMKZVPT-NWDGAFQWSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC001118867125 792771673 /nfs/dbraw/zinc/77/16/73/792771673.db2.gz IAEXMNWFMKZVPT-NWDGAFQWSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001118867126 792771529 /nfs/dbraw/zinc/77/15/29/792771529.db2.gz IAEXMNWFMKZVPT-RYUDHWBXSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC001118867126 792771519 /nfs/dbraw/zinc/77/15/19/792771519.db2.gz IAEXMNWFMKZVPT-RYUDHWBXSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC001118867127 792770515 /nfs/dbraw/zinc/77/05/15/792770515.db2.gz IAEXMNWFMKZVPT-VXGBXAGGSA-N 2 1 328.413 -1.554 20 0 EAADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC001118867127 792770508 /nfs/dbraw/zinc/77/05/08/792770508.db2.gz IAEXMNWFMKZVPT-VXGBXAGGSA-N 2 1 328.413 -1.554 20 0 EAADMP [NH3+]C1(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCOCC1 ZINC001118871722 792772157 /nfs/dbraw/zinc/77/21/57/792772157.db2.gz JKQUGDYYLFXTOF-NWDGAFQWSA-N 2 1 326.397 -2.112 20 0 EAADMP NC(=O)C[C@H]1C[NH+](CCCC[N@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC001118904476 792777097 /nfs/dbraw/zinc/77/70/97/792777097.db2.gz XOWQUSDTLMOFPD-KBPBESRZSA-N 2 1 342.440 -1.081 20 0 EAADMP NC(=O)C[C@H]1C[NH+](CCCC[N@@H+]2CCO[C@@H](CC(N)=O)C2)CCO1 ZINC001118904476 792777089 /nfs/dbraw/zinc/77/70/89/792777089.db2.gz XOWQUSDTLMOFPD-KBPBESRZSA-N 2 1 342.440 -1.081 20 0 EAADMP NC(=O)C[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@H](CC(N)=O)C2)CCO1 ZINC001118904478 792776939 /nfs/dbraw/zinc/77/69/39/792776939.db2.gz XOWQUSDTLMOFPD-ZIAGYGMSSA-N 2 1 342.440 -1.081 20 0 EAADMP NC(=O)C[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](CC(N)=O)C2)CCO1 ZINC001118904478 792776932 /nfs/dbraw/zinc/77/69/32/792776932.db2.gz XOWQUSDTLMOFPD-ZIAGYGMSSA-N 2 1 342.440 -1.081 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001118919781 792776460 /nfs/dbraw/zinc/77/64/60/792776460.db2.gz OCTZJNLWJTXEQW-CYBMUJFWSA-N 2 1 329.445 -1.957 20 0 EAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001118919784 792776211 /nfs/dbraw/zinc/77/62/11/792776211.db2.gz OCTZJNLWJTXEQW-ZDUSSCGKSA-N 2 1 329.445 -1.957 20 0 EAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCOCCC[NH3+])n1C ZINC001118920443 792776332 /nfs/dbraw/zinc/77/63/32/792776332.db2.gz YSIVUPWUVAVWCO-UHFFFAOYSA-N 2 1 326.401 -1.416 20 0 EAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118924221 792777053 /nfs/dbraw/zinc/77/70/53/792777053.db2.gz GGXJGERXTMFQGL-GFCCVEGCSA-N 2 1 328.413 -1.553 20 0 EAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001118924223 792776765 /nfs/dbraw/zinc/77/67/65/792776765.db2.gz GGXJGERXTMFQGL-LBPRGKRZSA-N 2 1 328.413 -1.553 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])CN1CC[NH+](C)CC1 ZINC001118924279 792777491 /nfs/dbraw/zinc/77/74/91/792777491.db2.gz HBKOCNBBRRBYEX-AWEZNQCLSA-N 2 1 343.472 -1.580 20 0 EAADMP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])CN1CC[NH+](C)CC1 ZINC001118924280 792776245 /nfs/dbraw/zinc/77/62/45/792776245.db2.gz HBKOCNBBRRBYEX-CQSZACIVSA-N 2 1 343.472 -1.580 20 0 EAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC001118924504 792776720 /nfs/dbraw/zinc/77/67/20/792776720.db2.gz KFSKXNXPTQOLKF-CHWSQXEVSA-N 2 1 340.424 -1.410 20 0 EAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCOCC1 ZINC001118924506 792776148 /nfs/dbraw/zinc/77/61/48/792776148.db2.gz KFSKXNXPTQOLKF-OLZOCXBDSA-N 2 1 340.424 -1.410 20 0 EAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCOCC1 ZINC001118924507 792777213 /nfs/dbraw/zinc/77/72/13/792777213.db2.gz KFSKXNXPTQOLKF-QWHCGFSZSA-N 2 1 340.424 -1.410 20 0 EAADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCOCC1 ZINC001118924509 792776801 /nfs/dbraw/zinc/77/68/01/792776801.db2.gz KFSKXNXPTQOLKF-STQMWFEESA-N 2 1 340.424 -1.410 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001118925501 792778634 /nfs/dbraw/zinc/77/86/34/792778634.db2.gz ROPLYUMIMRNGJT-GFCCVEGCSA-N 2 1 341.456 -1.101 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001118925503 792777830 /nfs/dbraw/zinc/77/78/30/792777830.db2.gz ROPLYUMIMRNGJT-LBPRGKRZSA-N 2 1 341.456 -1.101 20 0 EAADMP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001119350833 792791706 /nfs/dbraw/zinc/79/17/06/792791706.db2.gz KPWTYWCTRQSWRR-NSHDSACASA-N 2 1 327.429 -1.491 20 0 EAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119359764 792791415 /nfs/dbraw/zinc/79/14/15/792791415.db2.gz PCNJEAXPIXZCOW-CYBMUJFWSA-N 2 1 327.429 -2.026 20 0 EAADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119359764 792791412 /nfs/dbraw/zinc/79/14/12/792791412.db2.gz PCNJEAXPIXZCOW-CYBMUJFWSA-N 2 1 327.429 -2.026 20 0 EAADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119359765 792791214 /nfs/dbraw/zinc/79/12/14/792791214.db2.gz PCNJEAXPIXZCOW-ZDUSSCGKSA-N 2 1 327.429 -2.026 20 0 EAADMP [NH3+]CCNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119359765 792791210 /nfs/dbraw/zinc/79/12/10/792791210.db2.gz PCNJEAXPIXZCOW-ZDUSSCGKSA-N 2 1 327.429 -2.026 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001119360720 792791245 /nfs/dbraw/zinc/79/12/45/792791245.db2.gz PFTIAPLXYXDEJV-BETUJISGSA-N 2 1 337.424 -1.724 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001119411262 792793047 /nfs/dbraw/zinc/79/30/47/792793047.db2.gz ARRMEBIAQFCUOU-IHRRRGAJSA-N 2 1 325.457 -1.018 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001119411263 792792606 /nfs/dbraw/zinc/79/26/06/792792606.db2.gz ARRMEBIAQFCUOU-MGPQQGTHSA-N 2 1 325.457 -1.018 20 0 EAADMP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCN(C)CC1 ZINC001119414096 792792664 /nfs/dbraw/zinc/79/26/64/792792664.db2.gz BCUAERCIGAHZEB-KKUMJFAQSA-N 2 1 337.468 -1.053 20 0 EAADMP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCN(C)CC1 ZINC001119414097 792792874 /nfs/dbraw/zinc/79/28/74/792792874.db2.gz BCUAERCIGAHZEB-SOUVJXGZSA-N 2 1 337.468 -1.053 20 0 EAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001119414712 792792439 /nfs/dbraw/zinc/79/24/39/792792439.db2.gz KZWUMMXUOFFHOD-JOCQHMNTSA-N 2 1 325.457 -1.018 20 0 EAADMP COCCOC[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618545 792795281 /nfs/dbraw/zinc/79/52/81/792795281.db2.gz NNEFVQXVBQQCSV-DGAVXFQQSA-N 2 1 329.397 -1.123 20 0 EAADMP COCCOC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618546 792795017 /nfs/dbraw/zinc/79/50/17/792795017.db2.gz NNEFVQXVBQQCSV-FQUUOJAGSA-N 2 1 329.397 -1.123 20 0 EAADMP COCCOC[C@@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618547 792795203 /nfs/dbraw/zinc/79/52/03/792795203.db2.gz NNEFVQXVBQQCSV-RQJABVFESA-N 2 1 329.397 -1.123 20 0 EAADMP COCCOC[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001119618548 792794665 /nfs/dbraw/zinc/79/46/65/792794665.db2.gz NNEFVQXVBQQCSV-SYQHCUMBSA-N 2 1 329.397 -1.123 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1[NH3+] ZINC001120417955 792810248 /nfs/dbraw/zinc/81/02/48/792810248.db2.gz GDLJLBDXOATQPX-DGCLKSJQSA-N 2 1 339.440 -1.539 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[C@H]1C[NH3+] ZINC001120420726 792809857 /nfs/dbraw/zinc/80/98/57/792809857.db2.gz PFGYKBYVVQOWLE-HZSPNIEDSA-N 2 1 325.457 -1.208 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[C@@H]1C[NH3+] ZINC001120420727 792810180 /nfs/dbraw/zinc/81/01/80/792810180.db2.gz PFGYKBYVVQOWLE-MCIONIFRSA-N 2 1 325.457 -1.208 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[C@@H]1C[NH3+] ZINC001120420728 792809945 /nfs/dbraw/zinc/80/99/45/792809945.db2.gz PFGYKBYVVQOWLE-MGPQQGTHSA-N 2 1 325.457 -1.208 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[C@H]1C[NH3+] ZINC001120420729 792810635 /nfs/dbraw/zinc/81/06/35/792810635.db2.gz PFGYKBYVVQOWLE-RDBSUJKOSA-N 2 1 325.457 -1.208 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC001120421002 792810824 /nfs/dbraw/zinc/81/08/24/792810824.db2.gz QXLVNPRGCCJPCG-UHFFFAOYSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC001120421420 792812758 /nfs/dbraw/zinc/81/27/58/792812758.db2.gz WTSBFAHEUYKNCH-ZIAGYGMSSA-N 2 1 325.457 -1.064 20 0 EAADMP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC001120520537 792816190 /nfs/dbraw/zinc/81/61/90/792816190.db2.gz PDGPCOJVNAOHIL-ZIAGYGMSSA-N 2 1 325.457 -1.146 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001120524093 792817051 /nfs/dbraw/zinc/81/70/51/792817051.db2.gz NMBMLVPVQLTJIG-CYBMUJFWSA-N 2 1 330.429 -1.482 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001120524094 792817340 /nfs/dbraw/zinc/81/73/40/792817340.db2.gz NMBMLVPVQLTJIG-ZDUSSCGKSA-N 2 1 330.429 -1.482 20 0 EAADMP COCC[N@@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121990828 792882593 /nfs/dbraw/zinc/88/25/93/792882593.db2.gz IUTAPUKUSATKCL-JSGCOSHPSA-N 2 1 333.454 -1.295 20 0 EAADMP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122004390 792883763 /nfs/dbraw/zinc/88/37/63/792883763.db2.gz LRBKMYZPUVYZBS-CABCVRRESA-N 2 1 325.457 -1.587 20 0 EAADMP CN1CC[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122004391 792883996 /nfs/dbraw/zinc/88/39/96/792883996.db2.gz LRBKMYZPUVYZBS-GJZGRUSLSA-N 2 1 325.457 -1.587 20 0 EAADMP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122004392 792884273 /nfs/dbraw/zinc/88/42/73/792884273.db2.gz LRBKMYZPUVYZBS-HUUCEWRRSA-N 2 1 325.457 -1.587 20 0 EAADMP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001122004393 792884031 /nfs/dbraw/zinc/88/40/31/792884031.db2.gz LRBKMYZPUVYZBS-LSDHHAIUSA-N 2 1 325.457 -1.587 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866360 793013775 /nfs/dbraw/zinc/01/37/75/793013775.db2.gz AWQVXPDACUQNAI-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866361 793014060 /nfs/dbraw/zinc/01/40/60/793014060.db2.gz AWQVXPDACUQNAI-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124866362 793014458 /nfs/dbraw/zinc/01/44/58/793014458.db2.gz AWQVXPDACUQNAI-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124866363 793014808 /nfs/dbraw/zinc/01/48/08/793014808.db2.gz AWQVXPDACUQNAI-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124866568 786040869 /nfs/dbraw/zinc/04/08/69/786040869.db2.gz GCMPNDJSQMBSEQ-CHWSQXEVSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001124866569 786040701 /nfs/dbraw/zinc/04/07/01/786040701.db2.gz GCMPNDJSQMBSEQ-OLZOCXBDSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124866570 786040605 /nfs/dbraw/zinc/04/06/05/786040605.db2.gz GCMPNDJSQMBSEQ-QWHCGFSZSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001124866571 786040729 /nfs/dbraw/zinc/04/07/29/786040729.db2.gz GCMPNDJSQMBSEQ-STQMWFEESA-N 2 1 339.440 -1.490 20 0 EAADMP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001124866648 786040710 /nfs/dbraw/zinc/04/07/10/786040710.db2.gz HWDOWBNWCCVOBI-AWEZNQCLSA-N 2 1 339.440 -1.523 20 0 EAADMP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001124866649 786040893 /nfs/dbraw/zinc/04/08/93/786040893.db2.gz HWDOWBNWCCVOBI-CQSZACIVSA-N 2 1 339.440 -1.523 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124867338 793013513 /nfs/dbraw/zinc/01/35/13/793013513.db2.gz UUTWDNOZIJYXLC-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001124867345 793013664 /nfs/dbraw/zinc/01/36/64/793013664.db2.gz UUTWDNOZIJYXLC-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124867467 793014886 /nfs/dbraw/zinc/01/48/86/793014886.db2.gz WEKNHBBVFOESNN-NEPJUHHUSA-N 2 1 327.429 -1.621 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124867469 793014113 /nfs/dbraw/zinc/01/41/13/793014113.db2.gz WEKNHBBVFOESNN-NWDGAFQWSA-N 2 1 327.429 -1.621 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124867470 793013935 /nfs/dbraw/zinc/01/39/35/793013935.db2.gz WEKNHBBVFOESNN-RYUDHWBXSA-N 2 1 327.429 -1.621 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001124867472 793014325 /nfs/dbraw/zinc/01/43/25/793014325.db2.gz WEKNHBBVFOESNN-VXGBXAGGSA-N 2 1 327.429 -1.621 20 0 EAADMP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124867830 793014282 /nfs/dbraw/zinc/01/42/82/793014282.db2.gz ZILIZKXKQNZYCJ-CYBMUJFWSA-N 2 1 341.456 -1.229 20 0 EAADMP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124867835 793014365 /nfs/dbraw/zinc/01/43/65/793014365.db2.gz ZILIZKXKQNZYCJ-ZDUSSCGKSA-N 2 1 341.456 -1.229 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124878393 793013414 /nfs/dbraw/zinc/01/34/14/793013414.db2.gz LQFTZSQNHVRFDF-NEPJUHHUSA-N 2 1 326.397 -1.704 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124878395 793014738 /nfs/dbraw/zinc/01/47/38/793014738.db2.gz LQFTZSQNHVRFDF-NWDGAFQWSA-N 2 1 326.397 -1.704 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001124878397 793014429 /nfs/dbraw/zinc/01/44/29/793014429.db2.gz LQFTZSQNHVRFDF-RYUDHWBXSA-N 2 1 326.397 -1.704 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001124878399 793014678 /nfs/dbraw/zinc/01/46/78/793014678.db2.gz LQFTZSQNHVRFDF-VXGBXAGGSA-N 2 1 326.397 -1.704 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001124878525 793014258 /nfs/dbraw/zinc/01/42/58/793014258.db2.gz NIUNGSRGOUSKSK-CYBMUJFWSA-N 2 1 339.440 -1.490 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001124878526 793014722 /nfs/dbraw/zinc/01/47/22/793014722.db2.gz NIUNGSRGOUSKSK-ZDUSSCGKSA-N 2 1 339.440 -1.490 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125202695 786044560 /nfs/dbraw/zinc/04/45/60/786044560.db2.gz DAAKUMPUJRCYHJ-NEPJUHHUSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125202695 786044557 /nfs/dbraw/zinc/04/45/57/786044557.db2.gz DAAKUMPUJRCYHJ-NEPJUHHUSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125202696 786044085 /nfs/dbraw/zinc/04/40/85/786044085.db2.gz DAAKUMPUJRCYHJ-NWDGAFQWSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125202696 786044083 /nfs/dbraw/zinc/04/40/83/786044083.db2.gz DAAKUMPUJRCYHJ-NWDGAFQWSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125202697 786044573 /nfs/dbraw/zinc/04/45/73/786044573.db2.gz DAAKUMPUJRCYHJ-RYUDHWBXSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125202697 786044570 /nfs/dbraw/zinc/04/45/70/786044570.db2.gz DAAKUMPUJRCYHJ-RYUDHWBXSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125202698 786044628 /nfs/dbraw/zinc/04/46/28/786044628.db2.gz DAAKUMPUJRCYHJ-VXGBXAGGSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125202698 786044627 /nfs/dbraw/zinc/04/46/27/786044627.db2.gz DAAKUMPUJRCYHJ-VXGBXAGGSA-N 2 1 343.428 -1.355 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125202707 786044207 /nfs/dbraw/zinc/04/42/07/786044207.db2.gz DOOBWMBDRBZPEB-CHWSQXEVSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125202707 786044203 /nfs/dbraw/zinc/04/42/03/786044203.db2.gz DOOBWMBDRBZPEB-CHWSQXEVSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125202708 786044269 /nfs/dbraw/zinc/04/42/69/786044269.db2.gz DOOBWMBDRBZPEB-OLZOCXBDSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125202708 786044266 /nfs/dbraw/zinc/04/42/66/786044266.db2.gz DOOBWMBDRBZPEB-OLZOCXBDSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125202709 786044471 /nfs/dbraw/zinc/04/44/71/786044471.db2.gz DOOBWMBDRBZPEB-QWHCGFSZSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125202709 786044469 /nfs/dbraw/zinc/04/44/69/786044469.db2.gz DOOBWMBDRBZPEB-QWHCGFSZSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125202710 786044318 /nfs/dbraw/zinc/04/43/18/786044318.db2.gz DOOBWMBDRBZPEB-STQMWFEESA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125202710 786044315 /nfs/dbraw/zinc/04/43/15/786044315.db2.gz DOOBWMBDRBZPEB-STQMWFEESA-N 2 1 330.429 -1.436 20 0 EAADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203005 786044122 /nfs/dbraw/zinc/04/41/22/786044122.db2.gz HKIKGTHLYZGKMI-KBPBESRZSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203005 786044120 /nfs/dbraw/zinc/04/41/20/786044120.db2.gz HKIKGTHLYZGKMI-KBPBESRZSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203006 786044750 /nfs/dbraw/zinc/04/47/50/786044750.db2.gz HKIKGTHLYZGKMI-KGLIPLIRSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203006 786044748 /nfs/dbraw/zinc/04/47/48/786044748.db2.gz HKIKGTHLYZGKMI-KGLIPLIRSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203007 786044332 /nfs/dbraw/zinc/04/43/32/786044332.db2.gz HKIKGTHLYZGKMI-UONOGXRCSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203007 786044330 /nfs/dbraw/zinc/04/43/30/786044330.db2.gz HKIKGTHLYZGKMI-UONOGXRCSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203008 786044454 /nfs/dbraw/zinc/04/44/54/786044454.db2.gz HKIKGTHLYZGKMI-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203008 786044452 /nfs/dbraw/zinc/04/44/52/786044452.db2.gz HKIKGTHLYZGKMI-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203186 786044549 /nfs/dbraw/zinc/04/45/49/786044549.db2.gz KIOVYLWGNPBVLC-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203186 786044547 /nfs/dbraw/zinc/04/45/47/786044547.db2.gz KIOVYLWGNPBVLC-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203187 786043895 /nfs/dbraw/zinc/04/38/95/786043895.db2.gz KIOVYLWGNPBVLC-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203187 786043891 /nfs/dbraw/zinc/04/38/91/786043891.db2.gz KIOVYLWGNPBVLC-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203246 786044802 /nfs/dbraw/zinc/04/48/02/786044802.db2.gz LGJNSPBFKVYNKW-CMPLNLGQSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203246 786044799 /nfs/dbraw/zinc/04/47/99/786044799.db2.gz LGJNSPBFKVYNKW-CMPLNLGQSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203247 786044525 /nfs/dbraw/zinc/04/45/25/786044525.db2.gz LGJNSPBFKVYNKW-JQWIXIFHSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203247 786044520 /nfs/dbraw/zinc/04/45/20/786044520.db2.gz LGJNSPBFKVYNKW-JQWIXIFHSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203248 786044665 /nfs/dbraw/zinc/04/46/65/786044665.db2.gz LGJNSPBFKVYNKW-PWSUYJOCSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203248 786044662 /nfs/dbraw/zinc/04/46/62/786044662.db2.gz LGJNSPBFKVYNKW-PWSUYJOCSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203249 786044708 /nfs/dbraw/zinc/04/47/08/786044708.db2.gz LGJNSPBFKVYNKW-ZYHUDNBSSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)NC(=O)NC1CC1 ZINC001125203249 786044703 /nfs/dbraw/zinc/04/47/03/786044703.db2.gz LGJNSPBFKVYNKW-ZYHUDNBSSA-N 2 1 341.412 -1.601 20 0 EAADMP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203934 793026703 /nfs/dbraw/zinc/02/67/03/793026703.db2.gz VNXOHPYONVQJLI-AWEZNQCLSA-N 2 1 344.456 -1.046 20 0 EAADMP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203934 793026686 /nfs/dbraw/zinc/02/66/86/793026686.db2.gz VNXOHPYONVQJLI-AWEZNQCLSA-N 2 1 344.456 -1.046 20 0 EAADMP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203935 793025392 /nfs/dbraw/zinc/02/53/92/793025392.db2.gz VNXOHPYONVQJLI-CQSZACIVSA-N 2 1 344.456 -1.046 20 0 EAADMP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203935 793025381 /nfs/dbraw/zinc/02/53/81/793025381.db2.gz VNXOHPYONVQJLI-CQSZACIVSA-N 2 1 344.456 -1.046 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(=O)n(C)c1=O ZINC001125204340 793025585 /nfs/dbraw/zinc/02/55/85/793025585.db2.gz ZUQGJFSWSGCEQA-GFCCVEGCSA-N 2 1 339.396 -2.380 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cc(=O)n(C)c1=O ZINC001125204340 793025578 /nfs/dbraw/zinc/02/55/78/793025578.db2.gz ZUQGJFSWSGCEQA-GFCCVEGCSA-N 2 1 339.396 -2.380 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(=O)n(C)c1=O ZINC001125204342 793025490 /nfs/dbraw/zinc/02/54/90/793025490.db2.gz ZUQGJFSWSGCEQA-LBPRGKRZSA-N 2 1 339.396 -2.380 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(=O)n(C)c1=O ZINC001125204342 793025480 /nfs/dbraw/zinc/02/54/80/793025480.db2.gz ZUQGJFSWSGCEQA-LBPRGKRZSA-N 2 1 339.396 -2.380 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001125209295 793028940 /nfs/dbraw/zinc/02/89/40/793028940.db2.gz QSDPYLSZHNWWNN-LLVKDONJSA-N 2 1 341.412 -1.647 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001125209295 793028929 /nfs/dbraw/zinc/02/89/29/793028929.db2.gz QSDPYLSZHNWWNN-LLVKDONJSA-N 2 1 341.412 -1.647 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001125209296 793027467 /nfs/dbraw/zinc/02/74/67/793027467.db2.gz QSDPYLSZHNWWNN-NSHDSACASA-N 2 1 341.412 -1.647 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001125209296 793027459 /nfs/dbraw/zinc/02/74/59/793027459.db2.gz QSDPYLSZHNWWNN-NSHDSACASA-N 2 1 341.412 -1.647 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001125213113 793028770 /nfs/dbraw/zinc/02/87/70/793028770.db2.gz BJPVXMMYYXFTPN-CYBMUJFWSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001125213113 793028761 /nfs/dbraw/zinc/02/87/61/793028761.db2.gz BJPVXMMYYXFTPN-CYBMUJFWSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001125213118 793027870 /nfs/dbraw/zinc/02/78/70/793027870.db2.gz BJPVXMMYYXFTPN-ZDUSSCGKSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001125213118 793027860 /nfs/dbraw/zinc/02/78/60/793027860.db2.gz BJPVXMMYYXFTPN-ZDUSSCGKSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001125213949 786044164 /nfs/dbraw/zinc/04/41/64/786044164.db2.gz NKNQMBMSGJVAGC-SECBINFHSA-N 2 1 326.319 -1.299 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001125213951 786044260 /nfs/dbraw/zinc/04/42/60/786044260.db2.gz NKNQMBMSGJVAGC-VIFPVBQESA-N 2 1 326.319 -1.299 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214902 793028018 /nfs/dbraw/zinc/02/80/18/793028018.db2.gz XMBJEVJWDDYSBK-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214902 793028007 /nfs/dbraw/zinc/02/80/07/793028007.db2.gz XMBJEVJWDDYSBK-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214904 793028309 /nfs/dbraw/zinc/02/83/09/793028309.db2.gz XMBJEVJWDDYSBK-MNOVXSKESA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214904 793028306 /nfs/dbraw/zinc/02/83/06/793028306.db2.gz XMBJEVJWDDYSBK-MNOVXSKESA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214905 793028531 /nfs/dbraw/zinc/02/85/31/793028531.db2.gz XMBJEVJWDDYSBK-QWRGUYRKSA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214905 793028519 /nfs/dbraw/zinc/02/85/19/793028519.db2.gz XMBJEVJWDDYSBK-QWRGUYRKSA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214906 793027302 /nfs/dbraw/zinc/02/73/02/793027302.db2.gz XMBJEVJWDDYSBK-WDEREUQCSA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214906 793027297 /nfs/dbraw/zinc/02/72/97/793027297.db2.gz XMBJEVJWDDYSBK-WDEREUQCSA-N 2 1 329.401 -1.743 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214989 793027908 /nfs/dbraw/zinc/02/79/08/793027908.db2.gz YVBHGHOCGXYQDJ-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214989 793027901 /nfs/dbraw/zinc/02/79/01/793027901.db2.gz YVBHGHOCGXYQDJ-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214992 793027516 /nfs/dbraw/zinc/02/75/16/793027516.db2.gz YVBHGHOCGXYQDJ-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214992 793027507 /nfs/dbraw/zinc/02/75/07/793027507.db2.gz YVBHGHOCGXYQDJ-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001125215005 793027174 /nfs/dbraw/zinc/02/71/74/793027174.db2.gz ZAACEFXRKUBDKT-AWEZNQCLSA-N 2 1 335.408 -1.266 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001125215005 793027164 /nfs/dbraw/zinc/02/71/64/793027164.db2.gz ZAACEFXRKUBDKT-AWEZNQCLSA-N 2 1 335.408 -1.266 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001125215007 793028599 /nfs/dbraw/zinc/02/85/99/793028599.db2.gz ZAACEFXRKUBDKT-CQSZACIVSA-N 2 1 335.408 -1.266 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001125215007 793028586 /nfs/dbraw/zinc/02/85/86/793028586.db2.gz ZAACEFXRKUBDKT-CQSZACIVSA-N 2 1 335.408 -1.266 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001125219733 793027807 /nfs/dbraw/zinc/02/78/07/793027807.db2.gz ANJSAYCJOQWRHK-LLVKDONJSA-N 2 1 343.428 -1.353 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001125219733 793027802 /nfs/dbraw/zinc/02/78/02/793027802.db2.gz ANJSAYCJOQWRHK-LLVKDONJSA-N 2 1 343.428 -1.353 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001125219734 793029860 /nfs/dbraw/zinc/02/98/60/793029860.db2.gz ANJSAYCJOQWRHK-NSHDSACASA-N 2 1 343.428 -1.353 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001125219734 793029848 /nfs/dbraw/zinc/02/98/48/793029848.db2.gz ANJSAYCJOQWRHK-NSHDSACASA-N 2 1 343.428 -1.353 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001125219787 786043978 /nfs/dbraw/zinc/04/39/78/786043978.db2.gz BSTSDMSENLSVBG-LLVKDONJSA-N 2 1 327.385 -1.989 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001125219788 786044422 /nfs/dbraw/zinc/04/44/22/786044422.db2.gz BSTSDMSENLSVBG-NSHDSACASA-N 2 1 327.385 -1.989 20 0 EAADMP C[C@@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220377 786044189 /nfs/dbraw/zinc/04/41/89/786044189.db2.gz HKTKBXIGJOHWIP-NEPJUHHUSA-N 2 1 336.396 -1.160 20 0 EAADMP C[C@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220379 786044015 /nfs/dbraw/zinc/04/40/15/786044015.db2.gz HKTKBXIGJOHWIP-NWDGAFQWSA-N 2 1 336.396 -1.160 20 0 EAADMP C[C@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220381 786044248 /nfs/dbraw/zinc/04/42/48/786044248.db2.gz HKTKBXIGJOHWIP-RYUDHWBXSA-N 2 1 336.396 -1.160 20 0 EAADMP C[C@@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(=O)Nc1ncccn1 ZINC001125220383 786043989 /nfs/dbraw/zinc/04/39/89/786043989.db2.gz HKTKBXIGJOHWIP-VXGBXAGGSA-N 2 1 336.396 -1.160 20 0 EAADMP CN1CCO[C@@H](C(=O)NCCNCC(=O)Nc2nncs2)C1 ZINC001125220495 786044432 /nfs/dbraw/zinc/04/44/32/786044432.db2.gz IHNYGVCXIQFIRB-SECBINFHSA-N 2 1 328.398 -1.487 20 0 EAADMP CN1CCO[C@H](C(=O)NCCNCC(=O)Nc2nncs2)C1 ZINC001125220500 786044231 /nfs/dbraw/zinc/04/42/31/786044231.db2.gz IHNYGVCXIQFIRB-VIFPVBQESA-N 2 1 328.398 -1.487 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001125220542 786044112 /nfs/dbraw/zinc/04/41/12/786044112.db2.gz IXPRRNRIPSIPBM-CHWSQXEVSA-N 2 1 328.413 -1.730 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001125220543 786044306 /nfs/dbraw/zinc/04/43/06/786044306.db2.gz IXPRRNRIPSIPBM-OLZOCXBDSA-N 2 1 328.413 -1.730 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001125220544 786044768 /nfs/dbraw/zinc/04/47/68/786044768.db2.gz IXPRRNRIPSIPBM-QWHCGFSZSA-N 2 1 328.413 -1.730 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001125220545 786044148 /nfs/dbraw/zinc/04/41/48/786044148.db2.gz IXPRRNRIPSIPBM-STQMWFEESA-N 2 1 328.413 -1.730 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001125220574 786044279 /nfs/dbraw/zinc/04/42/79/786044279.db2.gz JOHCUOPVQIGDQZ-CHWSQXEVSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001125220576 786043943 /nfs/dbraw/zinc/04/39/43/786043943.db2.gz JOHCUOPVQIGDQZ-OLZOCXBDSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001125220577 786044616 /nfs/dbraw/zinc/04/46/16/786044616.db2.gz JOHCUOPVQIGDQZ-QWHCGFSZSA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001125220579 786044379 /nfs/dbraw/zinc/04/43/79/786044379.db2.gz JOHCUOPVQIGDQZ-STQMWFEESA-N 2 1 328.413 -1.682 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001125220678 786044682 /nfs/dbraw/zinc/04/46/82/786044682.db2.gz KSXDDPACRYCKQV-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001125220678 786044678 /nfs/dbraw/zinc/04/46/78/786044678.db2.gz KSXDDPACRYCKQV-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001125220682 786044226 /nfs/dbraw/zinc/04/42/26/786044226.db2.gz KSXDDPACRYCKQV-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001125220682 786044223 /nfs/dbraw/zinc/04/42/23/786044223.db2.gz KSXDDPACRYCKQV-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001125220684 786044243 /nfs/dbraw/zinc/04/42/43/786044243.db2.gz KSXDDPACRYCKQV-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001125220684 786044241 /nfs/dbraw/zinc/04/42/41/786044241.db2.gz KSXDDPACRYCKQV-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001125220685 786044445 /nfs/dbraw/zinc/04/44/45/786044445.db2.gz KSXDDPACRYCKQV-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001125220685 786044443 /nfs/dbraw/zinc/04/44/43/786044443.db2.gz KSXDDPACRYCKQV-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125220862 793029634 /nfs/dbraw/zinc/02/96/34/793029634.db2.gz LMQOJXCCONPVJY-GFCCVEGCSA-N 2 1 343.428 -1.495 20 0 EAADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125220862 793029624 /nfs/dbraw/zinc/02/96/24/793029624.db2.gz LMQOJXCCONPVJY-GFCCVEGCSA-N 2 1 343.428 -1.495 20 0 EAADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125220863 793030120 /nfs/dbraw/zinc/03/01/20/793030120.db2.gz LMQOJXCCONPVJY-LBPRGKRZSA-N 2 1 343.428 -1.495 20 0 EAADMP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125220863 793030107 /nfs/dbraw/zinc/03/01/07/793030107.db2.gz LMQOJXCCONPVJY-LBPRGKRZSA-N 2 1 343.428 -1.495 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220886 793029612 /nfs/dbraw/zinc/02/96/12/793029612.db2.gz LYFVZGKLCSGELM-CHWSQXEVSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220886 793029605 /nfs/dbraw/zinc/02/96/05/793029605.db2.gz LYFVZGKLCSGELM-CHWSQXEVSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220887 793030533 /nfs/dbraw/zinc/03/05/33/793030533.db2.gz LYFVZGKLCSGELM-OLZOCXBDSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220887 793030523 /nfs/dbraw/zinc/03/05/23/793030523.db2.gz LYFVZGKLCSGELM-OLZOCXBDSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220888 793029253 /nfs/dbraw/zinc/02/92/53/793029253.db2.gz LYFVZGKLCSGELM-QWHCGFSZSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220888 793029242 /nfs/dbraw/zinc/02/92/42/793029242.db2.gz LYFVZGKLCSGELM-QWHCGFSZSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220889 793029162 /nfs/dbraw/zinc/02/91/62/793029162.db2.gz LYFVZGKLCSGELM-STQMWFEESA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001125220889 793029151 /nfs/dbraw/zinc/02/91/51/793029151.db2.gz LYFVZGKLCSGELM-STQMWFEESA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001125220912 786044719 /nfs/dbraw/zinc/04/47/19/786044719.db2.gz MNRGTIDQTFBBQT-QWHCGFSZSA-N 2 1 328.413 -1.994 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001125220912 786044717 /nfs/dbraw/zinc/04/47/17/786044717.db2.gz MNRGTIDQTFBBQT-QWHCGFSZSA-N 2 1 328.413 -1.994 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001125220913 786044065 /nfs/dbraw/zinc/04/40/65/786044065.db2.gz MNRGTIDQTFBBQT-STQMWFEESA-N 2 1 328.413 -1.994 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001125220913 786044063 /nfs/dbraw/zinc/04/40/63/786044063.db2.gz MNRGTIDQTFBBQT-STQMWFEESA-N 2 1 328.413 -1.994 20 0 EAADMP CN1CCO[C@@H](C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 ZINC001125221233 786044093 /nfs/dbraw/zinc/04/40/93/786044093.db2.gz OMDMTBQDHOIIOY-LLVKDONJSA-N 2 1 327.385 -3.019 20 0 EAADMP CN1CCO[C@H](C(=O)NCCNCC(=O)N2CCNC(=O)C2)C1 ZINC001125221236 786044478 /nfs/dbraw/zinc/04/44/78/786044478.db2.gz OMDMTBQDHOIIOY-NSHDSACASA-N 2 1 327.385 -3.019 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001125221442 786045153 /nfs/dbraw/zinc/04/51/53/786045153.db2.gz QHRACSMYGRISDI-CYBMUJFWSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001125221442 786045150 /nfs/dbraw/zinc/04/51/50/786045150.db2.gz QHRACSMYGRISDI-CYBMUJFWSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001125221444 786045126 /nfs/dbraw/zinc/04/51/26/786045126.db2.gz QHRACSMYGRISDI-ZDUSSCGKSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001125221444 786045124 /nfs/dbraw/zinc/04/51/24/786045124.db2.gz QHRACSMYGRISDI-ZDUSSCGKSA-N 2 1 333.454 -1.152 20 0 EAADMP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221677 786045116 /nfs/dbraw/zinc/04/51/16/786045116.db2.gz SDGKBEBBGLJLSF-GFCCVEGCSA-N 2 1 336.458 -1.696 20 0 EAADMP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221677 786045114 /nfs/dbraw/zinc/04/51/14/786045114.db2.gz SDGKBEBBGLJLSF-GFCCVEGCSA-N 2 1 336.458 -1.696 20 0 EAADMP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221678 786045250 /nfs/dbraw/zinc/04/52/50/786045250.db2.gz SDGKBEBBGLJLSF-LBPRGKRZSA-N 2 1 336.458 -1.696 20 0 EAADMP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221678 786045247 /nfs/dbraw/zinc/04/52/47/786045247.db2.gz SDGKBEBBGLJLSF-LBPRGKRZSA-N 2 1 336.458 -1.696 20 0 EAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125221682 786044911 /nfs/dbraw/zinc/04/49/11/786044911.db2.gz SIQIDTLXBQEYOA-GFCCVEGCSA-N 2 1 336.458 -1.648 20 0 EAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125221682 786044909 /nfs/dbraw/zinc/04/49/09/786044909.db2.gz SIQIDTLXBQEYOA-GFCCVEGCSA-N 2 1 336.458 -1.648 20 0 EAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125221686 786045227 /nfs/dbraw/zinc/04/52/27/786045227.db2.gz SIQIDTLXBQEYOA-LBPRGKRZSA-N 2 1 336.458 -1.648 20 0 EAADMP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125221686 786045224 /nfs/dbraw/zinc/04/52/24/786045224.db2.gz SIQIDTLXBQEYOA-LBPRGKRZSA-N 2 1 336.458 -1.648 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125222390 786043910 /nfs/dbraw/zinc/04/39/10/786043910.db2.gz VOYFZOIEZDRWHA-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125222390 786043907 /nfs/dbraw/zinc/04/39/07/786043907.db2.gz VOYFZOIEZDRWHA-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125222392 786044006 /nfs/dbraw/zinc/04/40/06/786044006.db2.gz VOYFZOIEZDRWHA-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001125222392 786044004 /nfs/dbraw/zinc/04/40/04/786044004.db2.gz VOYFZOIEZDRWHA-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001125222394 786044779 /nfs/dbraw/zinc/04/47/79/786044779.db2.gz VOYFZOIEZDRWHA-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001125222394 786044777 /nfs/dbraw/zinc/04/47/77/786044777.db2.gz VOYFZOIEZDRWHA-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001125222396 786044057 /nfs/dbraw/zinc/04/40/57/786044057.db2.gz VOYFZOIEZDRWHA-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001125222396 786044054 /nfs/dbraw/zinc/04/40/54/786044054.db2.gz VOYFZOIEZDRWHA-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001125222598 786044598 /nfs/dbraw/zinc/04/45/98/786044598.db2.gz WLZFDGYMNVHKCZ-GFCCVEGCSA-N 2 1 334.442 -1.942 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001125222607 786043929 /nfs/dbraw/zinc/04/39/29/786043929.db2.gz WLZFDGYMNVHKCZ-LBPRGKRZSA-N 2 1 334.442 -1.942 20 0 EAADMP Cc1nnc(NC(=O)CNCCNC(=O)[C@@H]2CN(C)CCO2)s1 ZINC001125222701 786044071 /nfs/dbraw/zinc/04/40/71/786044071.db2.gz XDCPRISVJHPSNI-JTQLQIEISA-N 2 1 342.425 -1.179 20 0 EAADMP Cc1nnc(NC(=O)CNCCNC(=O)[C@H]2CN(C)CCO2)s1 ZINC001125222706 786043960 /nfs/dbraw/zinc/04/39/60/786043960.db2.gz XDCPRISVJHPSNI-SNVBAGLBSA-N 2 1 342.425 -1.179 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001125222729 786044298 /nfs/dbraw/zinc/04/42/98/786044298.db2.gz XDNQPOMPGXCYQV-GFCCVEGCSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001125222729 786044296 /nfs/dbraw/zinc/04/42/96/786044296.db2.gz XDNQPOMPGXCYQV-GFCCVEGCSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001125222733 786044413 /nfs/dbraw/zinc/04/44/13/786044413.db2.gz XDNQPOMPGXCYQV-LBPRGKRZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001125222733 786044409 /nfs/dbraw/zinc/04/44/09/786044409.db2.gz XDNQPOMPGXCYQV-LBPRGKRZSA-N 2 1 333.454 -1.152 20 0 EAADMP Cc1cc(NC(=O)CNCCNC(=O)[C@H]2CN(C)CCO2)no1 ZINC001125222870 786043876 /nfs/dbraw/zinc/04/38/76/786043876.db2.gz XVKFJJWRHMCIHZ-LLVKDONJSA-N 2 1 325.369 -1.042 20 0 EAADMP Cc1cc(NC(=O)CNCCNC(=O)[C@@H]2CN(C)CCO2)no1 ZINC001125222872 786044733 /nfs/dbraw/zinc/04/47/33/786044733.db2.gz XVKFJJWRHMCIHZ-NSHDSACASA-N 2 1 325.369 -1.042 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001125222889 786044369 /nfs/dbraw/zinc/04/43/69/786044369.db2.gz XXGGTQIPVGOJMQ-GHMZBOCLSA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001125222889 786044366 /nfs/dbraw/zinc/04/43/66/786044366.db2.gz XXGGTQIPVGOJMQ-GHMZBOCLSA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001125222896 786044465 /nfs/dbraw/zinc/04/44/65/786044465.db2.gz XXGGTQIPVGOJMQ-MNOVXSKESA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001125222896 786044462 /nfs/dbraw/zinc/04/44/62/786044462.db2.gz XXGGTQIPVGOJMQ-MNOVXSKESA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001125222899 786044134 /nfs/dbraw/zinc/04/41/34/786044134.db2.gz XXGGTQIPVGOJMQ-QWRGUYRKSA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001125222899 786044131 /nfs/dbraw/zinc/04/41/31/786044131.db2.gz XXGGTQIPVGOJMQ-QWRGUYRKSA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001125222901 786044400 /nfs/dbraw/zinc/04/44/00/786044400.db2.gz XXGGTQIPVGOJMQ-WDEREUQCSA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001125222901 786044397 /nfs/dbraw/zinc/04/43/97/786044397.db2.gz XXGGTQIPVGOJMQ-WDEREUQCSA-N 2 1 343.346 -1.037 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001125223182 786044041 /nfs/dbraw/zinc/04/40/41/786044041.db2.gz YUUQLMRBXAHRJX-LLVKDONJSA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001125223182 786044038 /nfs/dbraw/zinc/04/40/38/786044038.db2.gz YUUQLMRBXAHRJX-LLVKDONJSA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001125223185 786044504 /nfs/dbraw/zinc/04/45/04/786044504.db2.gz YUUQLMRBXAHRJX-NSHDSACASA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001125223185 786044501 /nfs/dbraw/zinc/04/45/01/786044501.db2.gz YUUQLMRBXAHRJX-NSHDSACASA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223273 786044692 /nfs/dbraw/zinc/04/46/92/786044692.db2.gz ZOKOISHAKHOGHA-NEPJUHHUSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223273 786044688 /nfs/dbraw/zinc/04/46/88/786044688.db2.gz ZOKOISHAKHOGHA-NEPJUHHUSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223277 786044585 /nfs/dbraw/zinc/04/45/85/786044585.db2.gz ZOKOISHAKHOGHA-NWDGAFQWSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223277 786044582 /nfs/dbraw/zinc/04/45/82/786044582.db2.gz ZOKOISHAKHOGHA-NWDGAFQWSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223279 786044514 /nfs/dbraw/zinc/04/45/14/786044514.db2.gz ZOKOISHAKHOGHA-RYUDHWBXSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223279 786044511 /nfs/dbraw/zinc/04/45/11/786044511.db2.gz ZOKOISHAKHOGHA-RYUDHWBXSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223282 786044049 /nfs/dbraw/zinc/04/40/49/786044049.db2.gz ZOKOISHAKHOGHA-VXGBXAGGSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001125223282 786044046 /nfs/dbraw/zinc/04/40/46/786044046.db2.gz ZOKOISHAKHOGHA-VXGBXAGGSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001125226590 793030191 /nfs/dbraw/zinc/03/01/91/793030191.db2.gz DFKZFZPXFNDFDT-CHWSQXEVSA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001125226590 793030184 /nfs/dbraw/zinc/03/01/84/793030184.db2.gz DFKZFZPXFNDFDT-CHWSQXEVSA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001125226591 793029920 /nfs/dbraw/zinc/02/99/20/793029920.db2.gz DFKZFZPXFNDFDT-OLZOCXBDSA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001125226591 793029916 /nfs/dbraw/zinc/02/99/16/793029916.db2.gz DFKZFZPXFNDFDT-OLZOCXBDSA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001125226592 793030259 /nfs/dbraw/zinc/03/02/59/793030259.db2.gz DFKZFZPXFNDFDT-QWHCGFSZSA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001125226592 793030251 /nfs/dbraw/zinc/03/02/51/793030251.db2.gz DFKZFZPXFNDFDT-QWHCGFSZSA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001125226593 793029208 /nfs/dbraw/zinc/02/92/08/793029208.db2.gz DFKZFZPXFNDFDT-STQMWFEESA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001125226593 793029195 /nfs/dbraw/zinc/02/91/95/793029195.db2.gz DFKZFZPXFNDFDT-STQMWFEESA-N 2 1 328.413 -1.825 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001125227071 793029527 /nfs/dbraw/zinc/02/95/27/793029527.db2.gz LKVRGRRCNOSZKE-DZGCQCFKSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001125227071 793029516 /nfs/dbraw/zinc/02/95/16/793029516.db2.gz LKVRGRRCNOSZKE-DZGCQCFKSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001125227077 793030621 /nfs/dbraw/zinc/03/06/21/793030621.db2.gz LKVRGRRCNOSZKE-HIFRSBDPSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001125227077 793030609 /nfs/dbraw/zinc/03/06/09/793030609.db2.gz LKVRGRRCNOSZKE-HIFRSBDPSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001125227078 793030016 /nfs/dbraw/zinc/03/00/16/793030016.db2.gz LKVRGRRCNOSZKE-UKRRQHHQSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001125227078 793030002 /nfs/dbraw/zinc/03/00/02/793030002.db2.gz LKVRGRRCNOSZKE-UKRRQHHQSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001125227080 793029989 /nfs/dbraw/zinc/02/99/89/793029989.db2.gz LKVRGRRCNOSZKE-ZFWWWQNUSA-N 2 1 345.440 -1.421 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001125227080 793029977 /nfs/dbraw/zinc/02/99/77/793029977.db2.gz LKVRGRRCNOSZKE-ZFWWWQNUSA-N 2 1 345.440 -1.421 20 0 EAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127065851 785843593 /nfs/dbraw/zinc/84/35/93/785843593.db2.gz FZBDVOVGTWIXOW-CYBMUJFWSA-N 2 1 339.440 -1.477 20 0 EAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001127065852 785843848 /nfs/dbraw/zinc/84/38/48/785843848.db2.gz FZBDVOVGTWIXOW-ZDUSSCGKSA-N 2 1 339.440 -1.477 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)CC[N@H+]1C ZINC001127643558 786036697 /nfs/dbraw/zinc/03/66/97/786036697.db2.gz AMBKGFJQCHSIGT-FRRDWIJNSA-N 2 1 340.424 -1.458 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)CC[N@H+]1C ZINC001127643559 786036667 /nfs/dbraw/zinc/03/66/67/786036667.db2.gz AMBKGFJQCHSIGT-JHJVBQTASA-N 2 1 340.424 -1.458 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001127643663 786036710 /nfs/dbraw/zinc/03/67/10/786036710.db2.gz FULANTMNCHVOBP-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127659500 786037703 /nfs/dbraw/zinc/03/77/03/786037703.db2.gz DLDADZBQTPAAPS-JHJVBQTASA-N 2 1 341.456 -1.375 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(=O)N(C)C ZINC001127659504 786037576 /nfs/dbraw/zinc/03/75/76/786037576.db2.gz DLDADZBQTPAAPS-YNEHKIRRSA-N 2 1 341.456 -1.375 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1C ZINC001127660207 786037878 /nfs/dbraw/zinc/03/78/78/786037878.db2.gz RKHZESPASCOJDR-DGCLKSJQSA-N 2 1 337.424 -1.370 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC001127690567 786037976 /nfs/dbraw/zinc/03/79/76/786037976.db2.gz OTVGZBIZQWMKFI-VXGBXAGGSA-N 2 1 325.413 -2.009 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC001127695444 786038083 /nfs/dbraw/zinc/03/80/83/786038083.db2.gz LIVBSDHQFLMJCL-QWHCGFSZSA-N 2 1 339.440 -1.619 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001127700736 786038832 /nfs/dbraw/zinc/03/88/32/786038832.db2.gz COFYWSKDNDKXSD-NWDGAFQWSA-N 2 1 325.413 -1.026 20 0 EAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760405 786072107 /nfs/dbraw/zinc/07/21/07/786072107.db2.gz JXUIGFYNHIDGHK-CHWSQXEVSA-N 2 1 333.454 -1.010 20 0 EAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127760406 786071894 /nfs/dbraw/zinc/07/18/94/786071894.db2.gz JXUIGFYNHIDGHK-OLZOCXBDSA-N 2 1 333.454 -1.010 20 0 EAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760407 786071474 /nfs/dbraw/zinc/07/14/74/786071474.db2.gz JXUIGFYNHIDGHK-QWHCGFSZSA-N 2 1 333.454 -1.010 20 0 EAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127760408 786071486 /nfs/dbraw/zinc/07/14/86/786071486.db2.gz JXUIGFYNHIDGHK-STQMWFEESA-N 2 1 333.454 -1.010 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127765974 786071866 /nfs/dbraw/zinc/07/18/66/786071866.db2.gz RPGJNUQRXYZJBX-CHWSQXEVSA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127765975 786071711 /nfs/dbraw/zinc/07/17/11/786071711.db2.gz RPGJNUQRXYZJBX-OLZOCXBDSA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127765976 786072309 /nfs/dbraw/zinc/07/23/09/786072309.db2.gz RPGJNUQRXYZJBX-QWHCGFSZSA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127765977 786071520 /nfs/dbraw/zinc/07/15/20/786071520.db2.gz RPGJNUQRXYZJBX-STQMWFEESA-N 2 1 338.408 -1.296 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778482 786074638 /nfs/dbraw/zinc/07/46/38/786074638.db2.gz GAUFHZWUJZZMIB-KBPBESRZSA-N 2 1 340.424 -1.586 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778483 786073591 /nfs/dbraw/zinc/07/35/91/786073591.db2.gz GAUFHZWUJZZMIB-KGLIPLIRSA-N 2 1 340.424 -1.586 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCOCC1 ZINC001127778484 786075266 /nfs/dbraw/zinc/07/52/66/786075266.db2.gz GAUFHZWUJZZMIB-UONOGXRCSA-N 2 1 340.424 -1.586 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCOCC1 ZINC001127778485 786074005 /nfs/dbraw/zinc/07/40/05/786074005.db2.gz GAUFHZWUJZZMIB-ZIAGYGMSSA-N 2 1 340.424 -1.586 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779054 786073964 /nfs/dbraw/zinc/07/39/64/786073964.db2.gz IRHPWDDSHRYHLL-GHMZBOCLSA-N 2 1 327.385 -1.989 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779056 786075374 /nfs/dbraw/zinc/07/53/74/786075374.db2.gz IRHPWDDSHRYHLL-MNOVXSKESA-N 2 1 327.385 -1.989 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779059 786075026 /nfs/dbraw/zinc/07/50/26/786075026.db2.gz IRHPWDDSHRYHLL-QWRGUYRKSA-N 2 1 327.385 -1.989 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779061 786074043 /nfs/dbraw/zinc/07/40/43/786074043.db2.gz IRHPWDDSHRYHLL-WDEREUQCSA-N 2 1 327.385 -1.989 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cnccn1 ZINC001127779489 786073743 /nfs/dbraw/zinc/07/37/43/786073743.db2.gz MJEPLGLIGHLJNT-CHWSQXEVSA-N 2 1 348.407 -1.016 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cnccn1 ZINC001127779490 786074506 /nfs/dbraw/zinc/07/45/06/786074506.db2.gz MJEPLGLIGHLJNT-OLZOCXBDSA-N 2 1 348.407 -1.016 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cnccn1 ZINC001127779491 786075187 /nfs/dbraw/zinc/07/51/87/786075187.db2.gz MJEPLGLIGHLJNT-QWHCGFSZSA-N 2 1 348.407 -1.016 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cnccn1 ZINC001127779492 786074132 /nfs/dbraw/zinc/07/41/32/786074132.db2.gz MJEPLGLIGHLJNT-STQMWFEESA-N 2 1 348.407 -1.016 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779862 786073534 /nfs/dbraw/zinc/07/35/34/786073534.db2.gz RUQMGNMFRIKTGN-NEPJUHHUSA-N 2 1 341.412 -1.599 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779863 786074390 /nfs/dbraw/zinc/07/43/90/786074390.db2.gz RUQMGNMFRIKTGN-NWDGAFQWSA-N 2 1 341.412 -1.599 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779864 786075297 /nfs/dbraw/zinc/07/52/97/786075297.db2.gz RUQMGNMFRIKTGN-RYUDHWBXSA-N 2 1 341.412 -1.599 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779865 786074343 /nfs/dbraw/zinc/07/43/43/786074343.db2.gz RUQMGNMFRIKTGN-VXGBXAGGSA-N 2 1 341.412 -1.599 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780352 786075158 /nfs/dbraw/zinc/07/51/58/786075158.db2.gz XWICSRCIWRFVRG-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780354 786074986 /nfs/dbraw/zinc/07/49/86/786074986.db2.gz XWICSRCIWRFVRG-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780356 786075051 /nfs/dbraw/zinc/07/50/51/786075051.db2.gz XWICSRCIWRFVRG-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780358 786074075 /nfs/dbraw/zinc/07/40/75/786074075.db2.gz XWICSRCIWRFVRG-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP CN(CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780443 786074312 /nfs/dbraw/zinc/07/43/12/786074312.db2.gz YYPXTOOIQVWXPP-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP CN(CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)S(C)(=O)=O ZINC001127780444 786074794 /nfs/dbraw/zinc/07/47/94/786074794.db2.gz YYPXTOOIQVWXPP-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP CN(CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780445 786074479 /nfs/dbraw/zinc/07/44/79/786074479.db2.gz YYPXTOOIQVWXPP-QWHCGFSZSA-N 2 1 348.469 -1.553 20 0 EAADMP CN(CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)S(C)(=O)=O ZINC001127780446 786075238 /nfs/dbraw/zinc/07/52/38/786075238.db2.gz YYPXTOOIQVWXPP-STQMWFEESA-N 2 1 348.469 -1.553 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780556 786074923 /nfs/dbraw/zinc/07/49/23/786074923.db2.gz ZXHWZIWLFBZQIA-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780558 786074280 /nfs/dbraw/zinc/07/42/80/786074280.db2.gz ZXHWZIWLFBZQIA-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780560 786074704 /nfs/dbraw/zinc/07/47/04/786074704.db2.gz ZXHWZIWLFBZQIA-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780562 786075328 /nfs/dbraw/zinc/07/53/28/786075328.db2.gz ZXHWZIWLFBZQIA-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784986 786073872 /nfs/dbraw/zinc/07/38/72/786073872.db2.gz CYRBLRNNKLEYLH-CHWSQXEVSA-N 2 1 348.469 -1.505 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127784987 786074860 /nfs/dbraw/zinc/07/48/60/786074860.db2.gz CYRBLRNNKLEYLH-OLZOCXBDSA-N 2 1 348.469 -1.505 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784988 786074099 /nfs/dbraw/zinc/07/40/99/786074099.db2.gz CYRBLRNNKLEYLH-QWHCGFSZSA-N 2 1 348.469 -1.505 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127784989 786074592 /nfs/dbraw/zinc/07/45/92/786074592.db2.gz CYRBLRNNKLEYLH-STQMWFEESA-N 2 1 348.469 -1.505 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785005 786074765 /nfs/dbraw/zinc/07/47/65/786074765.db2.gz DMDIAIMJBZMKIV-CABCVRRESA-N 2 1 342.440 -1.292 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785006 786074620 /nfs/dbraw/zinc/07/46/20/786074620.db2.gz DMDIAIMJBZMKIV-GJZGRUSLSA-N 2 1 342.440 -1.292 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785007 786074230 /nfs/dbraw/zinc/07/42/30/786074230.db2.gz DMDIAIMJBZMKIV-HUUCEWRRSA-N 2 1 342.440 -1.292 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785008 786074737 /nfs/dbraw/zinc/07/47/37/786074737.db2.gz DMDIAIMJBZMKIV-LSDHHAIUSA-N 2 1 342.440 -1.292 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785035 786075094 /nfs/dbraw/zinc/07/50/94/786075094.db2.gz FATNERAVJBXAQU-NEPJUHHUSA-N 2 1 334.442 -1.895 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785037 786074824 /nfs/dbraw/zinc/07/48/24/786074824.db2.gz FATNERAVJBXAQU-NWDGAFQWSA-N 2 1 334.442 -1.895 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785038 786074959 /nfs/dbraw/zinc/07/49/59/786074959.db2.gz FATNERAVJBXAQU-RYUDHWBXSA-N 2 1 334.442 -1.895 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785040 786073808 /nfs/dbraw/zinc/07/38/08/786073808.db2.gz FATNERAVJBXAQU-VXGBXAGGSA-N 2 1 334.442 -1.895 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785374 786074532 /nfs/dbraw/zinc/07/45/32/786074532.db2.gz JROMPSVAEYGVPK-NEPJUHHUSA-N 2 1 339.396 -1.893 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785375 786074196 /nfs/dbraw/zinc/07/41/96/786074196.db2.gz JROMPSVAEYGVPK-NWDGAFQWSA-N 2 1 339.396 -1.893 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785376 786074544 /nfs/dbraw/zinc/07/45/44/786074544.db2.gz JROMPSVAEYGVPK-RYUDHWBXSA-N 2 1 339.396 -1.893 20 0 EAADMP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785377 786074440 /nfs/dbraw/zinc/07/44/40/786074440.db2.gz JROMPSVAEYGVPK-VXGBXAGGSA-N 2 1 339.396 -1.893 20 0 EAADMP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786310 786075117 /nfs/dbraw/zinc/07/51/17/786075117.db2.gz YAELWRKPVZYWGC-CHWSQXEVSA-N 2 1 325.413 -1.419 20 0 EAADMP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786312 786074775 /nfs/dbraw/zinc/07/47/75/786074775.db2.gz YAELWRKPVZYWGC-OLZOCXBDSA-N 2 1 325.413 -1.419 20 0 EAADMP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786313 786073908 /nfs/dbraw/zinc/07/39/08/786073908.db2.gz YAELWRKPVZYWGC-QWHCGFSZSA-N 2 1 325.413 -1.419 20 0 EAADMP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786315 786073943 /nfs/dbraw/zinc/07/39/43/786073943.db2.gz YAELWRKPVZYWGC-STQMWFEESA-N 2 1 325.413 -1.419 20 0 EAADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128774909 786216769 /nfs/dbraw/zinc/21/67/69/786216769.db2.gz YYKZLGKQIGPETB-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001128774910 786216279 /nfs/dbraw/zinc/21/62/79/786216279.db2.gz YYKZLGKQIGPETB-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129219317 786260944 /nfs/dbraw/zinc/26/09/44/786260944.db2.gz DJMISBROFSXKII-KGLIPLIRSA-N 2 1 347.427 -1.137 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129219317 786260940 /nfs/dbraw/zinc/26/09/40/786260940.db2.gz DJMISBROFSXKII-KGLIPLIRSA-N 2 1 347.427 -1.137 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129219958 786260953 /nfs/dbraw/zinc/26/09/53/786260953.db2.gz PIIUAKPGDAPXOZ-KGLIPLIRSA-N 2 1 340.428 -1.420 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129219958 786260951 /nfs/dbraw/zinc/26/09/51/786260951.db2.gz PIIUAKPGDAPXOZ-KGLIPLIRSA-N 2 1 340.428 -1.420 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228590 786262593 /nfs/dbraw/zinc/26/25/93/786262593.db2.gz YVNPTEXRDOMLMA-MCIONIFRSA-N 2 1 340.428 -1.421 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228591 786262763 /nfs/dbraw/zinc/26/27/63/786262763.db2.gz YVNPTEXRDOMLMA-MJBXVCDLSA-N 2 1 340.428 -1.421 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363957 786573847 /nfs/dbraw/zinc/57/38/47/786573847.db2.gz NRELVCBEFSCFSY-GFCCVEGCSA-N 2 1 341.412 -1.470 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363959 786574044 /nfs/dbraw/zinc/57/40/44/786574044.db2.gz NRELVCBEFSCFSY-LBPRGKRZSA-N 2 1 341.412 -1.470 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129384986 786594147 /nfs/dbraw/zinc/59/41/47/786594147.db2.gz DEKKGFINNAOTPD-OLZOCXBDSA-N 2 1 326.401 -1.810 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1 ZINC001129384986 786594140 /nfs/dbraw/zinc/59/41/40/786594140.db2.gz DEKKGFINNAOTPD-OLZOCXBDSA-N 2 1 326.401 -1.810 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129385360 786596001 /nfs/dbraw/zinc/59/60/01/786596001.db2.gz LAUBQWLXXVKNPE-KGLIPLIRSA-N 2 1 340.428 -1.420 20 0 EAADMP COCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385614 786595478 /nfs/dbraw/zinc/59/54/78/786595478.db2.gz PCNYDDDNJCVDSD-KGLIPLIRSA-N 2 1 340.428 -1.156 20 0 EAADMP COCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385614 786595471 /nfs/dbraw/zinc/59/54/71/786595471.db2.gz PCNYDDDNJCVDSD-KGLIPLIRSA-N 2 1 340.428 -1.156 20 0 EAADMP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385854 786594616 /nfs/dbraw/zinc/59/46/16/786594616.db2.gz SKRRHKJBSKZKQA-MCIONIFRSA-N 2 1 340.428 -1.421 20 0 EAADMP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385856 786595847 /nfs/dbraw/zinc/59/58/47/786595847.db2.gz SKRRHKJBSKZKQA-MJBXVCDLSA-N 2 1 340.428 -1.421 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001129385955 786594665 /nfs/dbraw/zinc/59/46/65/786594665.db2.gz HQJWZJMKRAJBGH-NEPJUHHUSA-N 2 1 336.396 -1.676 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001129385956 786595416 /nfs/dbraw/zinc/59/54/16/786595416.db2.gz HQJWZJMKRAJBGH-NWDGAFQWSA-N 2 1 336.396 -1.676 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001129385957 786595720 /nfs/dbraw/zinc/59/57/20/786595720.db2.gz HQJWZJMKRAJBGH-RYUDHWBXSA-N 2 1 336.396 -1.676 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001129385958 786595052 /nfs/dbraw/zinc/59/50/52/786595052.db2.gz HQJWZJMKRAJBGH-VXGBXAGGSA-N 2 1 336.396 -1.676 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(=O)NC(N)=O ZINC001129386725 786596540 /nfs/dbraw/zinc/59/65/40/786596540.db2.gz NZPAOBNCJPLMKI-GHMZBOCLSA-N 2 1 339.400 -1.898 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(=O)NC(N)=O ZINC001129386728 786597760 /nfs/dbraw/zinc/59/77/60/786597760.db2.gz NZPAOBNCJPLMKI-MNOVXSKESA-N 2 1 339.400 -1.898 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C)C(=O)NC(N)=O ZINC001129386731 786597480 /nfs/dbraw/zinc/59/74/80/786597480.db2.gz NZPAOBNCJPLMKI-QWRGUYRKSA-N 2 1 339.400 -1.898 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C(=O)NC(N)=O ZINC001129386732 786597618 /nfs/dbraw/zinc/59/76/18/786597618.db2.gz NZPAOBNCJPLMKI-WDEREUQCSA-N 2 1 339.400 -1.898 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387427 786598662 /nfs/dbraw/zinc/59/86/62/786598662.db2.gz UYKFFIXFQZVBGW-LLVKDONJSA-N 2 1 339.400 -2.025 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387430 786599042 /nfs/dbraw/zinc/59/90/42/786599042.db2.gz UYKFFIXFQZVBGW-NSHDSACASA-N 2 1 339.400 -2.025 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001129387540 786598928 /nfs/dbraw/zinc/59/89/28/786598928.db2.gz WOSDIVFCUQDGTA-GFCCVEGCSA-N 2 1 346.457 -1.932 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001129387542 786599095 /nfs/dbraw/zinc/59/90/95/786599095.db2.gz WOSDIVFCUQDGTA-LBPRGKRZSA-N 2 1 346.457 -1.932 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001129387590 786598550 /nfs/dbraw/zinc/59/85/50/786598550.db2.gz XCXZUYKURUSYCU-CYBMUJFWSA-N 2 1 345.469 -1.046 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001129387596 786599174 /nfs/dbraw/zinc/59/91/74/786599174.db2.gz XCXZUYKURUSYCU-ZDUSSCGKSA-N 2 1 345.469 -1.046 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001129387683 786599309 /nfs/dbraw/zinc/59/93/09/786599309.db2.gz YCBITCBZHXWUQI-CABCVRRESA-N 2 1 349.439 -1.223 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001129387687 786598745 /nfs/dbraw/zinc/59/87/45/786598745.db2.gz YCBITCBZHXWUQI-GJZGRUSLSA-N 2 1 349.439 -1.223 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001129387688 786599431 /nfs/dbraw/zinc/59/94/31/786599431.db2.gz YCBITCBZHXWUQI-HUUCEWRRSA-N 2 1 349.439 -1.223 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001129387721 786599549 /nfs/dbraw/zinc/59/95/49/786599549.db2.gz YCBITCBZHXWUQI-LSDHHAIUSA-N 2 1 349.439 -1.223 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001129387753 786598915 /nfs/dbraw/zinc/59/89/15/786598915.db2.gz YTNGXQVKMOQYOA-CYBMUJFWSA-N 2 1 337.428 -1.456 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001129387754 786599031 /nfs/dbraw/zinc/59/90/31/786599031.db2.gz YTNGXQVKMOQYOA-ZDUSSCGKSA-N 2 1 337.428 -1.456 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129387765 786599492 /nfs/dbraw/zinc/59/94/92/786599492.db2.gz ZHFNGOSLHAQCQA-JTQLQIEISA-N 2 1 325.373 -2.286 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001129387766 786598757 /nfs/dbraw/zinc/59/87/57/786598757.db2.gz ZHFNGOSLHAQCQA-SNVBAGLBSA-N 2 1 325.373 -2.286 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21)N1CCNC(=O)C1 ZINC001129417790 786840069 /nfs/dbraw/zinc/84/00/69/786840069.db2.gz PAVNKSWZQOBZDO-GFCCVEGCSA-N 2 1 348.407 -1.575 20 0 EAADMP O=C(C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21)N1CCNC(=O)C1 ZINC001129417791 786840874 /nfs/dbraw/zinc/84/08/74/786840874.db2.gz PAVNKSWZQOBZDO-LBPRGKRZSA-N 2 1 348.407 -1.575 20 0 EAADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CCC1 ZINC001129531606 786846686 /nfs/dbraw/zinc/84/66/86/786846686.db2.gz BEIVBVRCAOKKTF-UHFFFAOYSA-N 2 1 325.413 -1.865 20 0 EAADMP C[N@@H+](CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O)C1CCC1 ZINC001129535103 786850538 /nfs/dbraw/zinc/85/05/38/786850538.db2.gz JHUQAXNHCBJOSQ-CYBMUJFWSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@@H+](CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O)C1CCC1 ZINC001129535104 786850388 /nfs/dbraw/zinc/85/03/88/786850388.db2.gz JHUQAXNHCBJOSQ-ZDUSSCGKSA-N 2 1 340.424 -1.314 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)cc(=O)n(C)c1=O ZINC001129535403 786850360 /nfs/dbraw/zinc/85/03/60/786850360.db2.gz PXCDNQSXHUOOLO-UHFFFAOYSA-N 2 1 337.424 -1.226 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)N(C)C ZINC001129535667 786850583 /nfs/dbraw/zinc/85/05/83/786850583.db2.gz XRXQPXMSAOMRJM-GFCCVEGCSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)C(=O)N(C)C ZINC001129535668 786850696 /nfs/dbraw/zinc/85/06/96/786850696.db2.gz XRXQPXMSAOMRJM-LBPRGKRZSA-N 2 1 341.456 -1.231 20 0 EAADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683816 786863103 /nfs/dbraw/zinc/86/31/03/786863103.db2.gz BKWVRFJMCOQBQB-MCIONIFRSA-N 2 1 349.439 -1.198 20 0 EAADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129683819 786863260 /nfs/dbraw/zinc/86/32/60/786863260.db2.gz BKWVRFJMCOQBQB-RDBSUJKOSA-N 2 1 349.439 -1.198 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685366 786861554 /nfs/dbraw/zinc/86/15/54/786861554.db2.gz REHJGXTUKWWBNV-AGIUHOORSA-N 2 1 335.412 -1.540 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685369 786863393 /nfs/dbraw/zinc/86/33/93/786863393.db2.gz REHJGXTUKWWBNV-UPJWGTAASA-N 2 1 335.412 -1.540 20 0 EAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686037 786862045 /nfs/dbraw/zinc/86/20/45/786862045.db2.gz VTEPEQFTUDZBOL-MCIONIFRSA-N 2 1 349.439 -1.150 20 0 EAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686048 786861243 /nfs/dbraw/zinc/86/12/43/786861243.db2.gz VTEPEQFTUDZBOL-RDBSUJKOSA-N 2 1 349.439 -1.150 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129717391 786863701 /nfs/dbraw/zinc/86/37/01/786863701.db2.gz JWANVVASIOGWFS-HZSPNIEDSA-N 2 1 338.412 -1.667 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129717391 786863690 /nfs/dbraw/zinc/86/36/90/786863690.db2.gz JWANVVASIOGWFS-HZSPNIEDSA-N 2 1 338.412 -1.667 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129717393 786864814 /nfs/dbraw/zinc/86/48/14/786864814.db2.gz JWANVVASIOGWFS-RDBSUJKOSA-N 2 1 338.412 -1.667 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001129717393 786864802 /nfs/dbraw/zinc/86/48/02/786864802.db2.gz JWANVVASIOGWFS-RDBSUJKOSA-N 2 1 338.412 -1.667 20 0 EAADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717438 786864431 /nfs/dbraw/zinc/86/44/31/786864431.db2.gz KYYNZUPPROPTGB-HZSPNIEDSA-N 2 1 338.412 -1.403 20 0 EAADMP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717438 786864420 /nfs/dbraw/zinc/86/44/20/786864420.db2.gz KYYNZUPPROPTGB-HZSPNIEDSA-N 2 1 338.412 -1.403 20 0 EAADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717444 786864313 /nfs/dbraw/zinc/86/43/13/786864313.db2.gz KYYNZUPPROPTGB-RDBSUJKOSA-N 2 1 338.412 -1.403 20 0 EAADMP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717444 786864304 /nfs/dbraw/zinc/86/43/04/786864304.db2.gz KYYNZUPPROPTGB-RDBSUJKOSA-N 2 1 338.412 -1.403 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855560 786877548 /nfs/dbraw/zinc/87/75/48/786877548.db2.gz MVNFMLKVMYBHOL-SYQHCUMBSA-N 2 1 349.439 -1.294 20 0 EAADMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129856738 786879946 /nfs/dbraw/zinc/87/99/46/786879946.db2.gz WRSHKYDNLPRJDR-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129856742 786879999 /nfs/dbraw/zinc/87/99/99/786879999.db2.gz WRSHKYDNLPRJDR-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894784 786885993 /nfs/dbraw/zinc/88/59/93/786885993.db2.gz SGUKOHBMQHCAJK-KGLIPLIRSA-N 2 1 349.439 -1.150 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129919402 786888080 /nfs/dbraw/zinc/88/80/80/786888080.db2.gz WHCUMELOANJIHV-NEPJUHHUSA-N 2 1 337.428 -1.165 20 0 EAADMP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992038 786895971 /nfs/dbraw/zinc/89/59/71/786895971.db2.gz IZWZBRZFHSLHPX-KGLIPLIRSA-N 2 1 347.427 -1.100 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005699 786898001 /nfs/dbraw/zinc/89/80/01/786898001.db2.gz DGJOQDBNOAFZSG-MCIONIFRSA-N 2 1 349.439 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005699 786897990 /nfs/dbraw/zinc/89/79/90/786897990.db2.gz DGJOQDBNOAFZSG-MCIONIFRSA-N 2 1 349.439 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005700 786897630 /nfs/dbraw/zinc/89/76/30/786897630.db2.gz DGJOQDBNOAFZSG-MJBXVCDLSA-N 2 1 349.439 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005700 786897619 /nfs/dbraw/zinc/89/76/19/786897619.db2.gz DGJOQDBNOAFZSG-MJBXVCDLSA-N 2 1 349.439 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007707 786898612 /nfs/dbraw/zinc/89/86/12/786898612.db2.gz RYCJFWRAVCDKHF-MCIONIFRSA-N 2 1 349.439 -1.150 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007707 786898609 /nfs/dbraw/zinc/89/86/09/786898609.db2.gz RYCJFWRAVCDKHF-MCIONIFRSA-N 2 1 349.439 -1.150 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007709 786898174 /nfs/dbraw/zinc/89/81/74/786898174.db2.gz RYCJFWRAVCDKHF-MJBXVCDLSA-N 2 1 349.439 -1.150 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007709 786898165 /nfs/dbraw/zinc/89/81/65/786898165.db2.gz RYCJFWRAVCDKHF-MJBXVCDLSA-N 2 1 349.439 -1.150 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130075649 786906987 /nfs/dbraw/zinc/90/69/87/786906987.db2.gz YWUHCVAMCWOMKX-UPJWGTAASA-N 2 1 337.428 -1.165 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130075650 786907725 /nfs/dbraw/zinc/90/77/25/786907725.db2.gz YWUHCVAMCWOMKX-XQQFMLRXSA-N 2 1 337.428 -1.165 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130079255 786907654 /nfs/dbraw/zinc/90/76/54/786907654.db2.gz AILZNNRNOLLUBQ-OLZOCXBDSA-N 2 1 337.428 -1.293 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130081568 786905859 /nfs/dbraw/zinc/90/58/59/786905859.db2.gz WCQITOALZBUMGE-MCIONIFRSA-N 2 1 349.439 -1.150 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130081569 786906093 /nfs/dbraw/zinc/90/60/93/786906093.db2.gz WCQITOALZBUMGE-MJBXVCDLSA-N 2 1 349.439 -1.150 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085905 786905454 /nfs/dbraw/zinc/90/54/54/786905454.db2.gz CTXGHEJQCJTMNE-MCIONIFRSA-N 2 1 349.439 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130085906 786904672 /nfs/dbraw/zinc/90/46/72/786904672.db2.gz CTXGHEJQCJTMNE-MJBXVCDLSA-N 2 1 349.439 -1.293 20 0 EAADMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001130097051 786907478 /nfs/dbraw/zinc/90/74/78/786907478.db2.gz ZOTXFDRYACPHHD-OLZOCXBDSA-N 2 1 337.428 -1.163 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107160 786907849 /nfs/dbraw/zinc/90/78/49/786907849.db2.gz GMVIZOHQPZQQRO-UPJWGTAASA-N 2 1 337.428 -1.165 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130107161 786907091 /nfs/dbraw/zinc/90/70/91/786907091.db2.gz GMVIZOHQPZQQRO-XQQFMLRXSA-N 2 1 337.428 -1.165 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130107210 786907057 /nfs/dbraw/zinc/90/70/57/786907057.db2.gz JLFUMCUGLNRUEW-MCIONIFRSA-N 2 1 349.439 -1.150 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130107211 786906960 /nfs/dbraw/zinc/90/69/60/786906960.db2.gz JLFUMCUGLNRUEW-MJBXVCDLSA-N 2 1 349.439 -1.150 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001130107428 786908352 /nfs/dbraw/zinc/90/83/52/786908352.db2.gz PWJWHQXOXLKFMQ-OLZOCXBDSA-N 2 1 337.428 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122940 786909600 /nfs/dbraw/zinc/90/96/00/786909600.db2.gz CNKFCYFONQXHCB-UPJWGTAASA-N 2 1 335.412 -1.683 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122941 786909367 /nfs/dbraw/zinc/90/93/67/786909367.db2.gz CNKFCYFONQXHCB-XQQFMLRXSA-N 2 1 335.412 -1.683 20 0 EAADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122988 786910213 /nfs/dbraw/zinc/91/02/13/786910213.db2.gz GAHGXLQFSISPFA-MCIONIFRSA-N 2 1 349.439 -1.341 20 0 EAADMP CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122989 786909399 /nfs/dbraw/zinc/90/93/99/786909399.db2.gz GAHGXLQFSISPFA-MJBXVCDLSA-N 2 1 349.439 -1.341 20 0 EAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123169 786909459 /nfs/dbraw/zinc/90/94/59/786909459.db2.gz JSJKHHYKGIPCNC-MCIONIFRSA-N 2 1 349.439 -1.293 20 0 EAADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123170 786909834 /nfs/dbraw/zinc/90/98/34/786909834.db2.gz JSJKHHYKGIPCNC-MJBXVCDLSA-N 2 1 349.439 -1.293 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137036 786910791 /nfs/dbraw/zinc/91/07/91/786910791.db2.gz GDMFSQIEYZDXHQ-OLZOCXBDSA-N 2 1 337.428 -1.294 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130137100 786911471 /nfs/dbraw/zinc/91/14/71/786911471.db2.gz ITUXDHAMRKKVRG-MCIONIFRSA-N 2 1 349.439 -1.152 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001130137101 786910902 /nfs/dbraw/zinc/91/09/02/786910902.db2.gz ITUXDHAMRKKVRG-MJBXVCDLSA-N 2 1 349.439 -1.152 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137344 786911963 /nfs/dbraw/zinc/91/19/63/786911963.db2.gz UQEZSCRIXYIPKH-UPJWGTAASA-N 2 1 337.428 -1.166 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001130137345 786911352 /nfs/dbraw/zinc/91/13/52/786911352.db2.gz UQEZSCRIXYIPKH-XQQFMLRXSA-N 2 1 337.428 -1.166 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180092 786913619 /nfs/dbraw/zinc/91/36/19/786913619.db2.gz AJDMUQYFKWPVCM-CHWSQXEVSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180092 786913615 /nfs/dbraw/zinc/91/36/15/786913615.db2.gz AJDMUQYFKWPVCM-CHWSQXEVSA-N 2 1 330.429 -1.436 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)O1 ZINC001130180135 786913459 /nfs/dbraw/zinc/91/34/59/786913459.db2.gz CKZFWVNSTPOFEF-CHWSQXEVSA-N 2 1 328.413 -1.730 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)O1 ZINC001130180135 786913453 /nfs/dbraw/zinc/91/34/53/786913453.db2.gz CKZFWVNSTPOFEF-CHWSQXEVSA-N 2 1 328.413 -1.730 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)O1 ZINC001130180142 786914344 /nfs/dbraw/zinc/91/43/44/786914344.db2.gz CVYMLBDYHCQWCL-HZSPNIEDSA-N 2 1 342.440 -1.294 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)O1 ZINC001130180142 786914337 /nfs/dbraw/zinc/91/43/37/786914337.db2.gz CVYMLBDYHCQWCL-HZSPNIEDSA-N 2 1 342.440 -1.294 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)O1 ZINC001130180143 786914056 /nfs/dbraw/zinc/91/40/56/786914056.db2.gz CVYMLBDYHCQWCL-MGPQQGTHSA-N 2 1 342.440 -1.294 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)O1 ZINC001130180143 786914045 /nfs/dbraw/zinc/91/40/45/786914045.db2.gz CVYMLBDYHCQWCL-MGPQQGTHSA-N 2 1 342.440 -1.294 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180257 786913801 /nfs/dbraw/zinc/91/38/01/786913801.db2.gz JQQOZNKJPPWRID-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180257 786913796 /nfs/dbraw/zinc/91/37/96/786913796.db2.gz JQQOZNKJPPWRID-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180347 786912923 /nfs/dbraw/zinc/91/29/23/786912923.db2.gz NTFOFCUXVAPQTG-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180347 786912918 /nfs/dbraw/zinc/91/29/18/786912918.db2.gz NTFOFCUXVAPQTG-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)O1 ZINC001130180510 786914435 /nfs/dbraw/zinc/91/44/35/786914435.db2.gz QOLOYSFNLNJARN-ZYHUDNBSSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)O1 ZINC001130180510 786914428 /nfs/dbraw/zinc/91/44/28/786914428.db2.gz QOLOYSFNLNJARN-ZYHUDNBSSA-N 2 1 341.412 -1.601 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001130180732 786913718 /nfs/dbraw/zinc/91/37/18/786913718.db2.gz VZXNYBXBGAOBFY-VXGBXAGGSA-N 2 1 341.412 -2.630 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)O1 ZINC001130180732 786913715 /nfs/dbraw/zinc/91/37/15/786913715.db2.gz VZXNYBXBGAOBFY-VXGBXAGGSA-N 2 1 341.412 -2.630 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)O1 ZINC001130182393 786912967 /nfs/dbraw/zinc/91/29/67/786912967.db2.gz GEAIPJGWVGJUSC-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)O1 ZINC001130182393 786912962 /nfs/dbraw/zinc/91/29/62/786912962.db2.gz GEAIPJGWVGJUSC-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)O1 ZINC001130182394 786914000 /nfs/dbraw/zinc/91/40/00/786914000.db2.gz GGYNNHGTNDMZDV-HZSPNIEDSA-N 2 1 342.440 -1.605 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)O1 ZINC001130182394 786913993 /nfs/dbraw/zinc/91/39/93/786913993.db2.gz GGYNNHGTNDMZDV-HZSPNIEDSA-N 2 1 342.440 -1.605 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)O1 ZINC001130182401 786912632 /nfs/dbraw/zinc/91/26/32/786912632.db2.gz GNIKVZADLMIPBW-BFHYXJOUSA-N 2 1 342.440 -1.341 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)O1 ZINC001130182401 786912623 /nfs/dbraw/zinc/91/26/23/786912623.db2.gz GNIKVZADLMIPBW-BFHYXJOUSA-N 2 1 342.440 -1.341 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCO1 ZINC001130182402 786913255 /nfs/dbraw/zinc/91/32/55/786913255.db2.gz GNIKVZADLMIPBW-MGPQQGTHSA-N 2 1 342.440 -1.341 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCO1 ZINC001130182402 786913247 /nfs/dbraw/zinc/91/32/47/786913247.db2.gz GNIKVZADLMIPBW-MGPQQGTHSA-N 2 1 342.440 -1.341 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)O1 ZINC001130182439 786914200 /nfs/dbraw/zinc/91/42/00/786914200.db2.gz HTXCOICNSHDMFN-GHMZBOCLSA-N 2 1 327.385 -2.037 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)O1 ZINC001130182439 786914193 /nfs/dbraw/zinc/91/41/93/786914193.db2.gz HTXCOICNSHDMFN-GHMZBOCLSA-N 2 1 327.385 -2.037 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)O1 ZINC001130182519 786912395 /nfs/dbraw/zinc/91/23/95/786912395.db2.gz LMDFGDAFQBYSAB-FRRDWIJNSA-N 2 1 333.454 -1.154 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)O1 ZINC001130182519 786912389 /nfs/dbraw/zinc/91/23/89/786912389.db2.gz LMDFGDAFQBYSAB-FRRDWIJNSA-N 2 1 333.454 -1.154 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)O1 ZINC001130182520 786913782 /nfs/dbraw/zinc/91/37/82/786913782.db2.gz LMDFGDAFQBYSAB-JHJVBQTASA-N 2 1 333.454 -1.154 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)O1 ZINC001130182520 786913776 /nfs/dbraw/zinc/91/37/76/786913776.db2.gz LMDFGDAFQBYSAB-JHJVBQTASA-N 2 1 333.454 -1.154 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)O1 ZINC001130182553 786917038 /nfs/dbraw/zinc/91/70/38/786917038.db2.gz NAONNOOINHTUTP-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)O1 ZINC001130182553 786917033 /nfs/dbraw/zinc/91/70/33/786917033.db2.gz NAONNOOINHTUTP-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182572 786916864 /nfs/dbraw/zinc/91/68/64/786916864.db2.gz NNTJUHYZIMDXNH-TZMCWYRMSA-N 2 1 330.429 -1.436 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182572 786916856 /nfs/dbraw/zinc/91/68/56/786916856.db2.gz NNTJUHYZIMDXNH-TZMCWYRMSA-N 2 1 330.429 -1.436 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182669 786916573 /nfs/dbraw/zinc/91/65/73/786916573.db2.gz RWUUIPUXITVPEE-HZSPNIEDSA-N 2 1 333.429 -1.565 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182669 786916569 /nfs/dbraw/zinc/91/65/69/786916569.db2.gz RWUUIPUXITVPEE-HZSPNIEDSA-N 2 1 333.429 -1.565 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182670 786916721 /nfs/dbraw/zinc/91/67/21/786916721.db2.gz RWUUIPUXITVPEE-MGPQQGTHSA-N 2 1 333.429 -1.565 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182670 786916714 /nfs/dbraw/zinc/91/67/14/786916714.db2.gz RWUUIPUXITVPEE-MGPQQGTHSA-N 2 1 333.429 -1.565 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130182693 786915621 /nfs/dbraw/zinc/91/56/21/786915621.db2.gz TYQKSLMQDZLPRF-VXGBXAGGSA-N 2 1 336.458 -1.649 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130182693 786915614 /nfs/dbraw/zinc/91/56/14/786915614.db2.gz TYQKSLMQDZLPRF-VXGBXAGGSA-N 2 1 336.458 -1.649 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)O1 ZINC001130182707 786916098 /nfs/dbraw/zinc/91/60/98/786916098.db2.gz UHSZIQKPLSWFND-VXGBXAGGSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)O1 ZINC001130182707 786916090 /nfs/dbraw/zinc/91/60/90/786916090.db2.gz UHSZIQKPLSWFND-VXGBXAGGSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)O1 ZINC001130184240 786915499 /nfs/dbraw/zinc/91/54/99/786915499.db2.gz HVBMIHXWPMFJQP-VXGBXAGGSA-N 2 1 326.397 -1.440 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)O1 ZINC001130184240 786915495 /nfs/dbraw/zinc/91/54/95/786915495.db2.gz HVBMIHXWPMFJQP-VXGBXAGGSA-N 2 1 326.397 -1.440 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)O1 ZINC001130184321 786915803 /nfs/dbraw/zinc/91/58/03/786915803.db2.gz LTADIBMTXZDIHU-HZSPNIEDSA-N 2 1 325.413 -1.331 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)O1 ZINC001130184321 786915799 /nfs/dbraw/zinc/91/57/99/786915799.db2.gz LTADIBMTXZDIHU-HZSPNIEDSA-N 2 1 325.413 -1.331 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)O1 ZINC001130184322 786916034 /nfs/dbraw/zinc/91/60/34/786916034.db2.gz LTADIBMTXZDIHU-MGPQQGTHSA-N 2 1 325.413 -1.331 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)O1 ZINC001130184322 786916030 /nfs/dbraw/zinc/91/60/30/786916030.db2.gz LTADIBMTXZDIHU-MGPQQGTHSA-N 2 1 325.413 -1.331 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184504 786917075 /nfs/dbraw/zinc/91/70/75/786917075.db2.gz SUNVQNJVWMVGLJ-GMTAPVOTSA-N 2 1 329.401 -1.745 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184504 786917071 /nfs/dbraw/zinc/91/70/71/786917071.db2.gz SUNVQNJVWMVGLJ-GMTAPVOTSA-N 2 1 329.401 -1.745 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184505 786916770 /nfs/dbraw/zinc/91/67/70/786916770.db2.gz SUNVQNJVWMVGLJ-OUAUKWLOSA-N 2 1 329.401 -1.745 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184505 786916765 /nfs/dbraw/zinc/91/67/65/786916765.db2.gz SUNVQNJVWMVGLJ-OUAUKWLOSA-N 2 1 329.401 -1.745 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)O1 ZINC001130184706 786915588 /nfs/dbraw/zinc/91/55/88/786915588.db2.gz XGMOCSUCKPDXEK-HZSPNIEDSA-N 2 1 342.440 -1.436 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)O1 ZINC001130184706 786915583 /nfs/dbraw/zinc/91/55/83/786915583.db2.gz XGMOCSUCKPDXEK-HZSPNIEDSA-N 2 1 342.440 -1.436 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)O1 ZINC001130184707 786916740 /nfs/dbraw/zinc/91/67/40/786916740.db2.gz XGMOCSUCKPDXEK-MGPQQGTHSA-N 2 1 342.440 -1.436 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)O1 ZINC001130184707 786916733 /nfs/dbraw/zinc/91/67/33/786916733.db2.gz XGMOCSUCKPDXEK-MGPQQGTHSA-N 2 1 342.440 -1.436 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184735 786916258 /nfs/dbraw/zinc/91/62/58/786916258.db2.gz YJZLUDIJJXPJGE-HZSPNIEDSA-N 2 1 344.456 -1.048 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184735 786916251 /nfs/dbraw/zinc/91/62/51/786916251.db2.gz YJZLUDIJJXPJGE-HZSPNIEDSA-N 2 1 344.456 -1.048 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184736 786915743 /nfs/dbraw/zinc/91/57/43/786915743.db2.gz YJZLUDIJJXPJGE-MGPQQGTHSA-N 2 1 344.456 -1.048 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184736 786915737 /nfs/dbraw/zinc/91/57/37/786915737.db2.gz YJZLUDIJJXPJGE-MGPQQGTHSA-N 2 1 344.456 -1.048 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)O1 ZINC001130186336 786915696 /nfs/dbraw/zinc/91/56/96/786915696.db2.gz GDVJJWZJOGXGBE-TZMCWYRMSA-N 2 1 342.440 -1.294 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)O1 ZINC001130186336 786915691 /nfs/dbraw/zinc/91/56/91/786915691.db2.gz GDVJJWZJOGXGBE-TZMCWYRMSA-N 2 1 342.440 -1.294 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130187058 786915879 /nfs/dbraw/zinc/91/58/79/786915879.db2.gz OBSJETRGNLJIDZ-CHWSQXEVSA-N 2 1 330.429 -1.436 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130187058 786915872 /nfs/dbraw/zinc/91/58/72/786915872.db2.gz OBSJETRGNLJIDZ-CHWSQXEVSA-N 2 1 330.429 -1.436 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130187103 786917227 /nfs/dbraw/zinc/91/72/27/786917227.db2.gz ORUQNLHETIYMCA-GRYCIOLGSA-N 2 1 343.428 -1.355 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130187103 786917221 /nfs/dbraw/zinc/91/72/21/786917221.db2.gz ORUQNLHETIYMCA-GRYCIOLGSA-N 2 1 343.428 -1.355 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130187104 786916393 /nfs/dbraw/zinc/91/63/93/786916393.db2.gz ORUQNLHETIYMCA-IJLUTSLNSA-N 2 1 343.428 -1.355 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130187104 786916388 /nfs/dbraw/zinc/91/63/88/786916388.db2.gz ORUQNLHETIYMCA-IJLUTSLNSA-N 2 1 343.428 -1.355 20 0 EAADMP C[NH+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130234614 786921308 /nfs/dbraw/zinc/92/13/08/786921308.db2.gz DVHDGIIZKNCHNO-RYUDHWBXSA-N 2 1 340.428 -1.173 20 0 EAADMP C[NH+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130234614 786921303 /nfs/dbraw/zinc/92/13/03/786921303.db2.gz DVHDGIIZKNCHNO-RYUDHWBXSA-N 2 1 340.428 -1.173 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001130303860 786925870 /nfs/dbraw/zinc/92/58/70/786925870.db2.gz MNMGKOIYGVINCJ-CHWSQXEVSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001130303861 786924563 /nfs/dbraw/zinc/92/45/63/786924563.db2.gz MNMGKOIYGVINCJ-OLZOCXBDSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001130303862 786925891 /nfs/dbraw/zinc/92/58/91/786925891.db2.gz MNMGKOIYGVINCJ-QWHCGFSZSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001130303863 786925971 /nfs/dbraw/zinc/92/59/71/786925971.db2.gz MNMGKOIYGVINCJ-STQMWFEESA-N 2 1 340.424 -1.314 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)cc(=O)n(C)c1=O ZINC001130305629 786926176 /nfs/dbraw/zinc/92/61/76/786926176.db2.gz HZJTWKJFSFXNOF-CYBMUJFWSA-N 2 1 337.424 -1.226 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc(=O)n(C)c1=O ZINC001130305630 786925329 /nfs/dbraw/zinc/92/53/29/786925329.db2.gz HZJTWKJFSFXNOF-ZDUSSCGKSA-N 2 1 337.424 -1.226 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001130419012 786946910 /nfs/dbraw/zinc/94/69/10/786946910.db2.gz HNLCEBCVLJECNV-UHFFFAOYSA-N 2 1 327.429 -1.619 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001130427985 786943458 /nfs/dbraw/zinc/94/34/58/786943458.db2.gz XPNREKYGLKLAAO-GFCCVEGCSA-N 2 1 342.440 -1.068 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001130427986 786943555 /nfs/dbraw/zinc/94/35/55/786943555.db2.gz XPNREKYGLKLAAO-LBPRGKRZSA-N 2 1 342.440 -1.068 20 0 EAADMP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)no1 ZINC001130648240 786963635 /nfs/dbraw/zinc/96/36/35/786963635.db2.gz KRVHSTZWBHFLTI-UHFFFAOYSA-N 2 1 338.368 -1.393 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001131380235 787049602 /nfs/dbraw/zinc/04/96/02/787049602.db2.gz IDVFRQZWMXVILV-UHFFFAOYSA-N 2 1 329.426 -1.067 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381501 787045850 /nfs/dbraw/zinc/04/58/50/787045850.db2.gz PMDIXRDTVNIHGO-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP COC[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381501 787045841 /nfs/dbraw/zinc/04/58/41/787045841.db2.gz PMDIXRDTVNIHGO-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP COC[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381502 787046977 /nfs/dbraw/zinc/04/69/77/787046977.db2.gz PMDIXRDTVNIHGO-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP COC[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381502 787046968 /nfs/dbraw/zinc/04/69/68/787046968.db2.gz PMDIXRDTVNIHGO-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001131387526 787049890 /nfs/dbraw/zinc/04/98/90/787049890.db2.gz SSRQYZLLWJOCBH-GFCCVEGCSA-N 2 1 338.412 -1.510 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001131387527 787049861 /nfs/dbraw/zinc/04/98/61/787049861.db2.gz SSRQYZLLWJOCBH-LBPRGKRZSA-N 2 1 338.412 -1.510 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001131387556 787050914 /nfs/dbraw/zinc/05/09/14/787050914.db2.gz UXVVKCQCWVDDIH-GFCCVEGCSA-N 2 1 337.380 -1.593 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001131387557 787051465 /nfs/dbraw/zinc/05/14/65/787051465.db2.gz UXVVKCQCWVDDIH-LBPRGKRZSA-N 2 1 337.380 -1.593 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001131387740 787051634 /nfs/dbraw/zinc/05/16/34/787051634.db2.gz ZDPIWNKZIUKLEH-UHFFFAOYSA-N 2 1 334.380 -1.505 20 0 EAADMP C[C@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131392695 787052290 /nfs/dbraw/zinc/05/22/90/787052290.db2.gz CRBOSCVDWKVMMT-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[C@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131392695 787052288 /nfs/dbraw/zinc/05/22/88/787052288.db2.gz CRBOSCVDWKVMMT-AWEZNQCLSA-N 2 1 344.456 -1.404 20 0 EAADMP C[C@@H](O)C[N@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131392717 787053017 /nfs/dbraw/zinc/05/30/17/787053017.db2.gz CRBOSCVDWKVMMT-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[C@@H](O)C[N@@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131392717 787053006 /nfs/dbraw/zinc/05/30/06/787053006.db2.gz CRBOSCVDWKVMMT-CQSZACIVSA-N 2 1 344.456 -1.404 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001131393159 787053580 /nfs/dbraw/zinc/05/35/80/787053580.db2.gz OIOPVVROLRNJID-UHFFFAOYSA-N 2 1 344.456 -1.403 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001131393159 787053570 /nfs/dbraw/zinc/05/35/70/787053570.db2.gz OIOPVVROLRNJID-UHFFFAOYSA-N 2 1 344.456 -1.403 20 0 EAADMP O=C(NCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519162 787058795 /nfs/dbraw/zinc/05/87/95/787058795.db2.gz AAHCXRMXDVPKBK-MFOWVQHXSA-N 2 1 337.424 -1.419 20 0 EAADMP O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519195 787059965 /nfs/dbraw/zinc/05/99/65/787059965.db2.gz AAHCXRMXDVPKBK-UYJPIKCFSA-N 2 1 337.424 -1.419 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519200 787059497 /nfs/dbraw/zinc/05/94/97/787059497.db2.gz ADRUVQDCZMSBKP-LOIXOFCESA-N 2 1 339.396 -1.989 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519201 787059938 /nfs/dbraw/zinc/05/99/38/787059938.db2.gz ADRUVQDCZMSBKP-VTWZXRTESA-N 2 1 339.396 -1.989 20 0 EAADMP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519430 787059630 /nfs/dbraw/zinc/05/96/30/787059630.db2.gz FFTLSRZBFYZJFN-LZUBYRBGSA-N 2 1 336.392 -1.639 20 0 EAADMP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519431 787060690 /nfs/dbraw/zinc/06/06/90/787060690.db2.gz FFTLSRZBFYZJFN-QNGPIJNLSA-N 2 1 336.392 -1.639 20 0 EAADMP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519432 787059113 /nfs/dbraw/zinc/05/91/13/787059113.db2.gz FFTLSRZBFYZJFN-SLMGRZLQSA-N 2 1 336.392 -1.639 20 0 EAADMP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519433 787058653 /nfs/dbraw/zinc/05/86/53/787058653.db2.gz FFTLSRZBFYZJFN-YZUGKSJVSA-N 2 1 336.392 -1.639 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520030 787059237 /nfs/dbraw/zinc/05/92/37/787059237.db2.gz RQBYQOSXUYVEDJ-AKUZOMFGSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520030 787059228 /nfs/dbraw/zinc/05/92/28/787059228.db2.gz RQBYQOSXUYVEDJ-AKUZOMFGSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520031 787060272 /nfs/dbraw/zinc/06/02/72/787060272.db2.gz RQBYQOSXUYVEDJ-BVWOZKJXSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520031 787060255 /nfs/dbraw/zinc/06/02/55/787060255.db2.gz RQBYQOSXUYVEDJ-BVWOZKJXSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520032 787060809 /nfs/dbraw/zinc/06/08/09/787060809.db2.gz RQBYQOSXUYVEDJ-DILZAHMFSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520032 787060799 /nfs/dbraw/zinc/06/07/99/787060799.db2.gz RQBYQOSXUYVEDJ-DILZAHMFSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520033 787059172 /nfs/dbraw/zinc/05/91/72/787059172.db2.gz RQBYQOSXUYVEDJ-NGWKBDRKSA-N 2 1 335.412 -1.160 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001131520033 787059163 /nfs/dbraw/zinc/05/91/63/787059163.db2.gz RQBYQOSXUYVEDJ-NGWKBDRKSA-N 2 1 335.412 -1.160 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520253 787058586 /nfs/dbraw/zinc/05/85/86/787058586.db2.gz WDVKKFDWSNTLBZ-LXVYMNJGSA-N 2 1 331.438 -1.400 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520254 787059420 /nfs/dbraw/zinc/05/94/20/787059420.db2.gz WDVKKFDWSNTLBZ-MBHSVXNSSA-N 2 1 331.438 -1.400 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520468 787060055 /nfs/dbraw/zinc/06/00/55/787060055.db2.gz YUFQCYAELIQWJG-OPASDULOSA-N 2 1 325.369 -2.250 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520469 787059703 /nfs/dbraw/zinc/05/97/03/787059703.db2.gz YUFQCYAELIQWJG-XIRUVYRFSA-N 2 1 325.369 -2.250 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521756 787060851 /nfs/dbraw/zinc/06/08/51/787060851.db2.gz GAFSFOJCUGBSRE-BFVXHGPNSA-N 2 1 339.396 -1.861 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521757 787059359 /nfs/dbraw/zinc/05/93/59/787059359.db2.gz GAFSFOJCUGBSRE-GPZIFOQPSA-N 2 1 339.396 -1.861 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521758 787060963 /nfs/dbraw/zinc/06/09/63/787060963.db2.gz GAFSFOJCUGBSRE-PAPNWUEJSA-N 2 1 339.396 -1.861 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)NC(N)=O ZINC001131521759 787058496 /nfs/dbraw/zinc/05/84/96/787058496.db2.gz GAFSFOJCUGBSRE-VQEBWTGLSA-N 2 1 339.396 -1.861 20 0 EAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521797 787059876 /nfs/dbraw/zinc/05/98/76/787059876.db2.gz HYLFAWFZGHSIEQ-JVWICGRDSA-N 2 1 345.465 -1.010 20 0 EAADMP CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521798 787058407 /nfs/dbraw/zinc/05/84/07/787058407.db2.gz HYLFAWFZGHSIEQ-OWYJLGKBSA-N 2 1 345.465 -1.010 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522089 787058936 /nfs/dbraw/zinc/05/89/36/787058936.db2.gz RZNMMHCXVFQOJP-LXVYMNJGSA-N 2 1 346.453 -1.895 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131522090 787059580 /nfs/dbraw/zinc/05/95/80/787059580.db2.gz RZNMMHCXVFQOJP-MBHSVXNSSA-N 2 1 346.453 -1.895 20 0 EAADMP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525988 787060105 /nfs/dbraw/zinc/06/01/05/787060105.db2.gz UCZLNLJDUXRUPH-DGNOSDGRSA-N 2 1 349.435 -1.187 20 0 EAADMP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525989 787059466 /nfs/dbraw/zinc/05/94/66/787059466.db2.gz UCZLNLJDUXRUPH-GWUWNPHMSA-N 2 1 349.435 -1.187 20 0 EAADMP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525990 787060542 /nfs/dbraw/zinc/06/05/42/787060542.db2.gz UCZLNLJDUXRUPH-GYMHETDLSA-N 2 1 349.435 -1.187 20 0 EAADMP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131525991 787059548 /nfs/dbraw/zinc/05/95/48/787059548.db2.gz UCZLNLJDUXRUPH-KRIMKBQASA-N 2 1 349.435 -1.187 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001132848234 787164025 /nfs/dbraw/zinc/16/40/25/787164025.db2.gz BVCDWYVXVIGCAA-NEPJUHHUSA-N 2 1 326.397 -1.393 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001132848235 787163634 /nfs/dbraw/zinc/16/36/34/787163634.db2.gz BVCDWYVXVIGCAA-NWDGAFQWSA-N 2 1 326.397 -1.393 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001132848236 787164558 /nfs/dbraw/zinc/16/45/58/787164558.db2.gz BVCDWYVXVIGCAA-RYUDHWBXSA-N 2 1 326.397 -1.393 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001132848237 787164622 /nfs/dbraw/zinc/16/46/22/787164622.db2.gz BVCDWYVXVIGCAA-VXGBXAGGSA-N 2 1 326.397 -1.393 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001132848374 787164714 /nfs/dbraw/zinc/16/47/14/787164714.db2.gz GTQBKIQINBBCSY-CYBMUJFWSA-N 2 1 327.429 -1.173 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001132848375 787164114 /nfs/dbraw/zinc/16/41/14/787164114.db2.gz GTQBKIQINBBCSY-ZDUSSCGKSA-N 2 1 327.429 -1.173 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848427 787164444 /nfs/dbraw/zinc/16/44/44/787164444.db2.gz HWDTVYIWCULSSL-HNNXBMFYSA-N 2 1 344.456 -1.046 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848428 787163867 /nfs/dbraw/zinc/16/38/67/787163867.db2.gz HWDTVYIWCULSSL-OAHLLOKOSA-N 2 1 344.456 -1.046 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001132848449 787164600 /nfs/dbraw/zinc/16/46/00/787164600.db2.gz IERDAFGURSLANM-GFCCVEGCSA-N 2 1 341.412 -1.647 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001132848450 787164376 /nfs/dbraw/zinc/16/43/76/787164376.db2.gz IERDAFGURSLANM-LBPRGKRZSA-N 2 1 341.412 -1.647 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001132848659 787164702 /nfs/dbraw/zinc/16/47/02/787164702.db2.gz OEBMCOHHCIMPHI-GFCCVEGCSA-N 2 1 336.458 -1.649 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001132848660 787163568 /nfs/dbraw/zinc/16/35/68/787163568.db2.gz OEBMCOHHCIMPHI-LBPRGKRZSA-N 2 1 336.458 -1.649 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848917 787163833 /nfs/dbraw/zinc/16/38/33/787163833.db2.gz WIJUPXJFUOPFLB-CABCVRRESA-N 2 1 347.456 -1.175 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848918 787164996 /nfs/dbraw/zinc/16/49/96/787164996.db2.gz WIJUPXJFUOPFLB-GJZGRUSLSA-N 2 1 347.456 -1.175 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848919 787166194 /nfs/dbraw/zinc/16/61/94/787166194.db2.gz WIJUPXJFUOPFLB-HUUCEWRRSA-N 2 1 347.456 -1.175 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848920 787165720 /nfs/dbraw/zinc/16/57/20/787165720.db2.gz WIJUPXJFUOPFLB-LSDHHAIUSA-N 2 1 347.456 -1.175 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001132852102 787165274 /nfs/dbraw/zinc/16/52/74/787165274.db2.gz HUCXNKIODWPZEH-CYBMUJFWSA-N 2 1 340.424 -1.050 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001132852103 787165603 /nfs/dbraw/zinc/16/56/03/787165603.db2.gz HUCXNKIODWPZEH-ZDUSSCGKSA-N 2 1 340.424 -1.050 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852146 787164874 /nfs/dbraw/zinc/16/48/74/787164874.db2.gz ILQVCYVWPOXWNU-NEPJUHHUSA-N 2 1 343.428 -1.355 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852147 787165744 /nfs/dbraw/zinc/16/57/44/787165744.db2.gz ILQVCYVWPOXWNU-NWDGAFQWSA-N 2 1 343.428 -1.355 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852148 787165797 /nfs/dbraw/zinc/16/57/97/787165797.db2.gz ILQVCYVWPOXWNU-RYUDHWBXSA-N 2 1 343.428 -1.355 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852149 787165448 /nfs/dbraw/zinc/16/54/48/787165448.db2.gz ILQVCYVWPOXWNU-VXGBXAGGSA-N 2 1 343.428 -1.355 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001132852718 787165548 /nfs/dbraw/zinc/16/55/48/787165548.db2.gz SQEDEJBPNCQKNX-GHMZBOCLSA-N 2 1 329.401 -1.615 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001132852719 787165159 /nfs/dbraw/zinc/16/51/59/787165159.db2.gz SQEDEJBPNCQKNX-MNOVXSKESA-N 2 1 329.401 -1.615 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001132852721 787165202 /nfs/dbraw/zinc/16/52/02/787165202.db2.gz SQEDEJBPNCQKNX-QWRGUYRKSA-N 2 1 329.401 -1.615 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001132852723 787165047 /nfs/dbraw/zinc/16/50/47/787165047.db2.gz SQEDEJBPNCQKNX-WDEREUQCSA-N 2 1 329.401 -1.615 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132858649 787163453 /nfs/dbraw/zinc/16/34/53/787163453.db2.gz DJIGIJFUXBCRGB-AWEZNQCLSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132858650 787163181 /nfs/dbraw/zinc/16/31/81/787163181.db2.gz DJIGIJFUXBCRGB-CQSZACIVSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132858982 787164073 /nfs/dbraw/zinc/16/40/73/787164073.db2.gz QYSFEELZUJWSCY-AWEZNQCLSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132858983 787163970 /nfs/dbraw/zinc/16/39/70/787163970.db2.gz QYSFEELZUJWSCY-CQSZACIVSA-N 2 1 344.456 -1.046 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132859027 787163783 /nfs/dbraw/zinc/16/37/83/787163783.db2.gz SUMNZIIJZDKMDZ-GFCCVEGCSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132859028 787164640 /nfs/dbraw/zinc/16/46/40/787164640.db2.gz SUMNZIIJZDKMDZ-LBPRGKRZSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132859036 787164213 /nfs/dbraw/zinc/16/42/13/787164213.db2.gz TYAZABUXIGQDLT-LLVKDONJSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132859037 787164413 /nfs/dbraw/zinc/16/44/13/787164413.db2.gz TYAZABUXIGQDLT-NSHDSACASA-N 2 1 329.401 -1.743 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001132859160 787163336 /nfs/dbraw/zinc/16/33/36/787163336.db2.gz XWQDQGLQIFTPNA-AWEZNQCLSA-N 2 1 342.440 -1.340 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001132859161 787164499 /nfs/dbraw/zinc/16/44/99/787164499.db2.gz XWQDQGLQIFTPNA-CQSZACIVSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC001132886953 787165354 /nfs/dbraw/zinc/16/53/54/787165354.db2.gz XHMXGGIJBOENAC-STQMWFEESA-N 2 1 339.440 -1.619 20 0 EAADMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001132893248 787165536 /nfs/dbraw/zinc/16/55/36/787165536.db2.gz MAJRGVQSIFIKRK-RYUDHWBXSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004732 787170903 /nfs/dbraw/zinc/17/09/03/787170903.db2.gz IVAWWLVFMTUKRM-LLVKDONJSA-N 2 1 336.396 -1.085 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004733 787170155 /nfs/dbraw/zinc/17/01/55/787170155.db2.gz IVAWWLVFMTUKRM-NSHDSACASA-N 2 1 336.396 -1.085 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133819370 787204902 /nfs/dbraw/zinc/20/49/02/787204902.db2.gz ABWOOASZKMDUCO-GFCCVEGCSA-N 2 1 325.413 -1.865 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133819371 787204643 /nfs/dbraw/zinc/20/46/43/787204643.db2.gz ABWOOASZKMDUCO-LBPRGKRZSA-N 2 1 325.413 -1.865 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133823735 787204713 /nfs/dbraw/zinc/20/47/13/787204713.db2.gz NBHOPJCSOZOISD-CHWSQXEVSA-N 2 1 340.424 -1.314 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133823736 787205613 /nfs/dbraw/zinc/20/56/13/787205613.db2.gz NBHOPJCSOZOISD-OLZOCXBDSA-N 2 1 340.424 -1.314 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001133823737 787205598 /nfs/dbraw/zinc/20/55/98/787205598.db2.gz NBHOPJCSOZOISD-QWHCGFSZSA-N 2 1 340.424 -1.314 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001133823738 787204771 /nfs/dbraw/zinc/20/47/71/787204771.db2.gz NBHOPJCSOZOISD-STQMWFEESA-N 2 1 340.424 -1.314 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133834030 787205336 /nfs/dbraw/zinc/20/53/36/787205336.db2.gz MCXNKDWVWQLHHW-GFCCVEGCSA-N 2 1 337.424 -1.226 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133834031 787204354 /nfs/dbraw/zinc/20/43/54/787204354.db2.gz MCXNKDWVWQLHHW-LBPRGKRZSA-N 2 1 337.424 -1.226 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133834034 787204389 /nfs/dbraw/zinc/20/43/89/787204389.db2.gz MGHHBTPUDFYEBB-CHWSQXEVSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)C(=O)N(C)C ZINC001133834035 787204580 /nfs/dbraw/zinc/20/45/80/787204580.db2.gz MGHHBTPUDFYEBB-OLZOCXBDSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133834036 787204822 /nfs/dbraw/zinc/20/48/22/787204822.db2.gz MGHHBTPUDFYEBB-QWHCGFSZSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)C(=O)N(C)C ZINC001133834037 787204666 /nfs/dbraw/zinc/20/46/66/787204666.db2.gz MGHHBTPUDFYEBB-STQMWFEESA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133845584 787206308 /nfs/dbraw/zinc/20/63/08/787206308.db2.gz JDGSBSILTIOVED-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133845585 787207616 /nfs/dbraw/zinc/20/76/16/787207616.db2.gz JDGSBSILTIOVED-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133846190 787207330 /nfs/dbraw/zinc/20/73/30/787207330.db2.gz VOBRBNLZXPBUNB-GFCCVEGCSA-N 2 1 325.413 -2.008 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133846191 787207182 /nfs/dbraw/zinc/20/71/82/787207182.db2.gz VOBRBNLZXPBUNB-LBPRGKRZSA-N 2 1 325.413 -2.008 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133849701 787205942 /nfs/dbraw/zinc/20/59/42/787205942.db2.gz CEUCZBQLOUSVNL-CHWSQXEVSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(=O)N(C)C ZINC001133849702 787207796 /nfs/dbraw/zinc/20/77/96/787207796.db2.gz CEUCZBQLOUSVNL-OLZOCXBDSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133849703 787206769 /nfs/dbraw/zinc/20/67/69/787206769.db2.gz CEUCZBQLOUSVNL-QWHCGFSZSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(=O)N(C)C ZINC001133849704 787207141 /nfs/dbraw/zinc/20/71/41/787207141.db2.gz CEUCZBQLOUSVNL-STQMWFEESA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849712 787206461 /nfs/dbraw/zinc/20/64/61/787206461.db2.gz CHXOGOJVGCEPDK-GFCCVEGCSA-N 2 1 337.424 -1.368 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC001133849713 787207461 /nfs/dbraw/zinc/20/74/61/787207461.db2.gz CHXOGOJVGCEPDK-LBPRGKRZSA-N 2 1 337.424 -1.368 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850095 787206535 /nfs/dbraw/zinc/20/65/35/787206535.db2.gz IYWZUTOLQDIKTR-CHWSQXEVSA-N 2 1 340.424 -1.456 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850096 787206280 /nfs/dbraw/zinc/20/62/80/787206280.db2.gz IYWZUTOLQDIKTR-OLZOCXBDSA-N 2 1 340.424 -1.456 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850097 787206206 /nfs/dbraw/zinc/20/62/06/787206206.db2.gz IYWZUTOLQDIKTR-QWHCGFSZSA-N 2 1 340.424 -1.456 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001133850098 787206568 /nfs/dbraw/zinc/20/65/68/787206568.db2.gz IYWZUTOLQDIKTR-STQMWFEESA-N 2 1 340.424 -1.456 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864048 787206800 /nfs/dbraw/zinc/20/68/00/787206800.db2.gz UFCVEITUGKJUFO-NEPJUHHUSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864049 787207753 /nfs/dbraw/zinc/20/77/53/787207753.db2.gz UFCVEITUGKJUFO-NWDGAFQWSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864050 787207737 /nfs/dbraw/zinc/20/77/37/787207737.db2.gz UFCVEITUGKJUFO-RYUDHWBXSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133864051 787207049 /nfs/dbraw/zinc/20/70/49/787207049.db2.gz UFCVEITUGKJUFO-VXGBXAGGSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867442 787206876 /nfs/dbraw/zinc/20/68/76/787206876.db2.gz UYQBRNJUSQHNKF-AAEUAGOBSA-N 2 1 337.424 -1.513 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867443 787206586 /nfs/dbraw/zinc/20/65/86/787206586.db2.gz UYQBRNJUSQHNKF-DGCLKSJQSA-N 2 1 337.424 -1.513 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867444 787206368 /nfs/dbraw/zinc/20/63/68/787206368.db2.gz UYQBRNJUSQHNKF-WCQYABFASA-N 2 1 337.424 -1.513 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001133867445 787207508 /nfs/dbraw/zinc/20/75/08/787207508.db2.gz UYQBRNJUSQHNKF-YPMHNXCESA-N 2 1 337.424 -1.513 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869596 787206966 /nfs/dbraw/zinc/20/69/66/787206966.db2.gz HHSZHWBOYOLQRK-CMPLNLGQSA-N 2 1 325.413 -1.122 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869597 787207387 /nfs/dbraw/zinc/20/73/87/787207387.db2.gz HHSZHWBOYOLQRK-JQWIXIFHSA-N 2 1 325.413 -1.122 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869598 787206746 /nfs/dbraw/zinc/20/67/46/787206746.db2.gz HHSZHWBOYOLQRK-PWSUYJOCSA-N 2 1 325.413 -1.122 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133869599 787207632 /nfs/dbraw/zinc/20/76/32/787207632.db2.gz HHSZHWBOYOLQRK-ZYHUDNBSSA-N 2 1 325.413 -1.122 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869867 787206618 /nfs/dbraw/zinc/20/66/18/787206618.db2.gz MWKNOPNKYOONOE-LLVKDONJSA-N 2 1 336.396 -1.085 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869868 787206688 /nfs/dbraw/zinc/20/66/88/787206688.db2.gz MWKNOPNKYOONOE-NSHDSACASA-N 2 1 336.396 -1.085 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870112 787207108 /nfs/dbraw/zinc/20/71/08/787207108.db2.gz QABSXQFGPWOLRJ-CHWSQXEVSA-N 2 1 332.470 -1.075 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870113 787206348 /nfs/dbraw/zinc/20/63/48/787206348.db2.gz QABSXQFGPWOLRJ-OLZOCXBDSA-N 2 1 332.470 -1.075 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870114 787207435 /nfs/dbraw/zinc/20/74/35/787207435.db2.gz QABSXQFGPWOLRJ-QWHCGFSZSA-N 2 1 332.470 -1.075 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133870115 787207657 /nfs/dbraw/zinc/20/76/57/787207657.db2.gz QABSXQFGPWOLRJ-STQMWFEESA-N 2 1 332.470 -1.075 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870769 787206053 /nfs/dbraw/zinc/20/60/53/787206053.db2.gz WGZRHGKBAKCPHY-NEPJUHHUSA-N 2 1 325.413 -2.152 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870770 787206914 /nfs/dbraw/zinc/20/69/14/787206914.db2.gz WGZRHGKBAKCPHY-NWDGAFQWSA-N 2 1 325.413 -2.152 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870771 787206819 /nfs/dbraw/zinc/20/68/19/787206819.db2.gz WGZRHGKBAKCPHY-RYUDHWBXSA-N 2 1 325.413 -2.152 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001133870772 787206940 /nfs/dbraw/zinc/20/69/40/787206940.db2.gz WGZRHGKBAKCPHY-VXGBXAGGSA-N 2 1 325.413 -2.152 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890283 787209101 /nfs/dbraw/zinc/20/91/01/787209101.db2.gz NODZTKBRZYTIGO-UHFFFAOYSA-N 2 1 338.368 -1.215 20 0 EAADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001133893694 787209516 /nfs/dbraw/zinc/20/95/16/787209516.db2.gz MMNIHSVNCODDCH-UHFFFAOYSA-N 2 1 339.440 -1.618 20 0 EAADMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001133896122 787209571 /nfs/dbraw/zinc/20/95/71/787209571.db2.gz CSNIXXOFDUUEHD-UHFFFAOYSA-N 2 1 325.413 -1.024 20 0 EAADMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1)CC(C)(C)C ZINC001133899525 787209297 /nfs/dbraw/zinc/20/92/97/787209297.db2.gz KKWHYHPHKOYMDY-UHFFFAOYSA-N 2 1 341.456 -1.372 20 0 EAADMP C[C@H](COCC(=O)NCC[NH2+]Cc1nnnn1C)[NH+]1CCCC1 ZINC001134055101 787219758 /nfs/dbraw/zinc/21/97/58/787219758.db2.gz ZPAYYYCYKSKLGJ-GFCCVEGCSA-N 2 1 325.417 -1.083 20 0 EAADMP C[C@@H](COCC(=O)NCC[NH2+]Cc1nnnn1C)[NH+]1CCCC1 ZINC001134055103 787219748 /nfs/dbraw/zinc/21/97/48/787219748.db2.gz ZPAYYYCYKSKLGJ-LBPRGKRZSA-N 2 1 325.417 -1.083 20 0 EAADMP O=C(CCCC[NH+]1CCOCC1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001135323233 787288383 /nfs/dbraw/zinc/28/83/83/787288383.db2.gz OWLISOULUNICCD-CYBMUJFWSA-N 2 1 340.424 -1.000 20 0 EAADMP O=C(CCCC[NH+]1CCOCC1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001135323234 787289302 /nfs/dbraw/zinc/28/93/02/787289302.db2.gz OWLISOULUNICCD-ZDUSSCGKSA-N 2 1 340.424 -1.000 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323331 787289009 /nfs/dbraw/zinc/28/90/09/787289009.db2.gz QINBOOSOVQGJRB-UHFFFAOYSA-N 2 1 343.428 -1.350 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323393 787289093 /nfs/dbraw/zinc/28/90/93/787289093.db2.gz SAYKDBBBCDSCFU-UHFFFAOYSA-N 2 1 329.401 -1.610 20 0 EAADMP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001135325837 787288465 /nfs/dbraw/zinc/28/84/65/787288465.db2.gz JGXPTYGONCSTBT-GFCCVEGCSA-N 2 1 343.428 -1.222 20 0 EAADMP C[C@H]([NH2+]CCNC(=O)CCCC[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001135325840 787288181 /nfs/dbraw/zinc/28/81/81/787288181.db2.gz JGXPTYGONCSTBT-LBPRGKRZSA-N 2 1 343.428 -1.222 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135337085 787289744 /nfs/dbraw/zinc/28/97/44/787289744.db2.gz RNCLBNHNCUXXQH-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135337086 787290380 /nfs/dbraw/zinc/29/03/80/787290380.db2.gz RNCLBNHNCUXXQH-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001135340838 787289826 /nfs/dbraw/zinc/28/98/26/787289826.db2.gz KLHCYYVNALYYEJ-AWEZNQCLSA-N 2 1 342.440 -1.433 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001135340843 787290636 /nfs/dbraw/zinc/29/06/36/787290636.db2.gz KLHCYYVNALYYEJ-CQSZACIVSA-N 2 1 342.440 -1.433 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001135341110 787290653 /nfs/dbraw/zinc/29/06/53/787290653.db2.gz OARSWNPRHLYBLO-AWEZNQCLSA-N 2 1 325.413 -1.328 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001135341122 787290613 /nfs/dbraw/zinc/29/06/13/787290613.db2.gz OARSWNPRHLYBLO-CQSZACIVSA-N 2 1 325.413 -1.328 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341139 787290648 /nfs/dbraw/zinc/29/06/48/787290648.db2.gz ONJLLLMEGOUCPD-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341140 787290666 /nfs/dbraw/zinc/29/06/66/787290666.db2.gz ONJLLLMEGOUCPD-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341421 787290098 /nfs/dbraw/zinc/29/00/98/787290098.db2.gz VVISMNFTYVOHLM-AWEZNQCLSA-N 2 1 344.456 -1.044 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341422 787290490 /nfs/dbraw/zinc/29/04/90/787290490.db2.gz VVISMNFTYVOHLM-CQSZACIVSA-N 2 1 344.456 -1.044 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001135341483 787290261 /nfs/dbraw/zinc/29/02/61/787290261.db2.gz YRXKKNFISQBFND-UHFFFAOYSA-N 2 1 326.397 -1.437 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001135349841 787289688 /nfs/dbraw/zinc/28/96/88/787289688.db2.gz FSSOWVLOULXWQA-UHFFFAOYSA-N 2 1 341.412 -2.627 20 0 EAADMP COCCCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349903 787289795 /nfs/dbraw/zinc/28/97/95/787289795.db2.gz HQTAFOZRUXBZRE-UHFFFAOYSA-N 2 1 330.429 -1.433 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135349973 787289806 /nfs/dbraw/zinc/28/98/06/787289806.db2.gz IYIRENVYHSCWCE-UHFFFAOYSA-N 2 1 329.401 -1.740 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350123 787289891 /nfs/dbraw/zinc/28/98/91/787289891.db2.gz MUUOIHXRIWWEFX-UHFFFAOYSA-N 2 1 330.429 -1.433 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350206 787290071 /nfs/dbraw/zinc/29/00/71/787290071.db2.gz QMXAUXQBVFUVFN-UHFFFAOYSA-N 2 1 343.428 -1.350 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001135350387 787290184 /nfs/dbraw/zinc/29/01/84/787290184.db2.gz VLOWQVFEBTXQGP-UHFFFAOYSA-N 2 1 341.412 -1.597 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001135350422 787290311 /nfs/dbraw/zinc/29/03/11/787290311.db2.gz WQVGQMQFRJAGLT-UHFFFAOYSA-N 2 1 328.413 -1.727 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001135350465 787289878 /nfs/dbraw/zinc/28/98/78/787289878.db2.gz ZNVNVKSUINLRIS-AWEZNQCLSA-N 2 1 342.440 -1.290 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001135350466 787291182 /nfs/dbraw/zinc/29/11/82/787291182.db2.gz ZNVNVKSUINLRIS-CQSZACIVSA-N 2 1 342.440 -1.290 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001135350471 787291290 /nfs/dbraw/zinc/29/12/90/787291290.db2.gz ZPIMXPCQFCTPRZ-UHFFFAOYSA-N 2 1 342.440 -1.290 20 0 EAADMP CN(CC[NH2+]CCNC(=O)CC[NH+]1CCOCC1)S(C)(=O)=O ZINC001135352422 787291360 /nfs/dbraw/zinc/29/13/60/787291360.db2.gz DNSKRNJGQVWFQV-UHFFFAOYSA-N 2 1 336.458 -1.694 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001135352438 787291161 /nfs/dbraw/zinc/29/11/61/787291161.db2.gz DVZGEMRNRKESND-CYBMUJFWSA-N 2 1 333.454 -1.151 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001135352440 787291335 /nfs/dbraw/zinc/29/13/35/787291335.db2.gz DVZGEMRNRKESND-ZDUSSCGKSA-N 2 1 333.454 -1.151 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001135352501 787291490 /nfs/dbraw/zinc/29/14/90/787291490.db2.gz FOGLFLBWRMVFHX-UHFFFAOYSA-N 2 1 341.412 -1.644 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135352506 787291529 /nfs/dbraw/zinc/29/15/29/787291529.db2.gz FVCNYHORPYPCRJ-AWEZNQCLSA-N 2 1 342.440 -1.602 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352538 787291399 /nfs/dbraw/zinc/29/13/99/787291399.db2.gz GLSVUGVIPLJRBO-UHFFFAOYSA-N 2 1 330.429 -1.433 20 0 EAADMP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352546 787291999 /nfs/dbraw/zinc/29/19/99/787291999.db2.gz GXEPFAFEBSMQGU-CABCVRRESA-N 2 1 347.456 -1.173 20 0 EAADMP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352547 787292032 /nfs/dbraw/zinc/29/20/32/787292032.db2.gz GXEPFAFEBSMQGU-GJZGRUSLSA-N 2 1 347.456 -1.173 20 0 EAADMP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352548 787291785 /nfs/dbraw/zinc/29/17/85/787291785.db2.gz GXEPFAFEBSMQGU-HUUCEWRRSA-N 2 1 347.456 -1.173 20 0 EAADMP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352549 787291514 /nfs/dbraw/zinc/29/15/14/787291514.db2.gz GXEPFAFEBSMQGU-LSDHHAIUSA-N 2 1 347.456 -1.173 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352571 787291823 /nfs/dbraw/zinc/29/18/23/787291823.db2.gz IFLBBYXDZBEAIF-UHFFFAOYSA-N 2 1 336.458 -1.646 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC001135352626 787291018 /nfs/dbraw/zinc/29/10/18/787291018.db2.gz KOPOGIVJBIQFCN-AWEZNQCLSA-N 2 1 342.440 -1.338 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[NH+]2CCOCC2)CCO1 ZINC001135352627 787291270 /nfs/dbraw/zinc/29/12/70/787291270.db2.gz KOPOGIVJBIQFCN-CQSZACIVSA-N 2 1 342.440 -1.338 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135352654 787291912 /nfs/dbraw/zinc/29/19/12/787291912.db2.gz MKTHGEXSUPBXDC-UHFFFAOYSA-N 2 1 348.469 -1.550 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352738 787291591 /nfs/dbraw/zinc/29/15/91/787291591.db2.gz PRJZSAXTCXGNTC-AWEZNQCLSA-N 2 1 333.429 -1.562 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135352739 787292014 /nfs/dbraw/zinc/29/20/14/787292014.db2.gz PRJZSAXTCXGNTC-CQSZACIVSA-N 2 1 333.429 -1.562 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001135352777 787291221 /nfs/dbraw/zinc/29/12/21/787291221.db2.gz ROYIWEBFSJDEFJ-UHFFFAOYSA-N 2 1 327.385 -2.034 20 0 EAADMP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCOCC1)[NH2+]CC(=O)NC(N)=O ZINC001135675464 787311250 /nfs/dbraw/zinc/31/12/50/787311250.db2.gz GIXDDEJHZLAQJI-NEPJUHHUSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001135675465 787311675 /nfs/dbraw/zinc/31/16/75/787311675.db2.gz GIXDDEJHZLAQJI-NWDGAFQWSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001135675466 787310960 /nfs/dbraw/zinc/31/09/60/787310960.db2.gz GIXDDEJHZLAQJI-RYUDHWBXSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCOCC1 ZINC001135675467 787310801 /nfs/dbraw/zinc/31/08/01/787310801.db2.gz GIXDDEJHZLAQJI-VXGBXAGGSA-N 2 1 343.428 -1.224 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892346 787322886 /nfs/dbraw/zinc/32/28/86/787322886.db2.gz GBXJWDRUPQKDIX-UHFFFAOYSA-N 2 1 331.336 -1.218 20 0 EAADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C(N)=O)C(N)=O)CC2)CC1 ZINC001141290916 793041642 /nfs/dbraw/zinc/04/16/42/793041642.db2.gz MDTDTQBYJWYYAM-UHFFFAOYSA-N 2 1 339.440 -1.362 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001146709681 787515687 /nfs/dbraw/zinc/51/56/87/787515687.db2.gz AXLRAIQXBBCTMO-UHFFFAOYSA-N 2 1 341.456 -1.242 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001146710281 787516477 /nfs/dbraw/zinc/51/64/77/787516477.db2.gz JJTMRVLCTXZTBV-UHFFFAOYSA-N 2 1 341.456 -1.275 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001146711103 787516225 /nfs/dbraw/zinc/51/62/25/787516225.db2.gz ONUDYPDQAXQLSF-GFCCVEGCSA-N 2 1 328.413 -1.456 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001146711107 787516534 /nfs/dbraw/zinc/51/65/34/787516534.db2.gz ONUDYPDQAXQLSF-LBPRGKRZSA-N 2 1 328.413 -1.456 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001146711911 787517109 /nfs/dbraw/zinc/51/71/09/787517109.db2.gz YPWNMSRVIABHAF-UHFFFAOYSA-N 2 1 325.413 -1.368 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001146712030 787516026 /nfs/dbraw/zinc/51/60/26/787516026.db2.gz ZSTPPYQIBUONPX-CYBMUJFWSA-N 2 1 341.456 -1.242 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001146712031 787516815 /nfs/dbraw/zinc/51/68/15/787516815.db2.gz ZSTPPYQIBUONPX-ZDUSSCGKSA-N 2 1 341.456 -1.242 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001146746229 787516322 /nfs/dbraw/zinc/51/63/22/787516322.db2.gz DSPDFSMSLUYAGI-UHFFFAOYSA-N 2 1 341.456 -1.227 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001146746416 787515951 /nfs/dbraw/zinc/51/59/51/787515951.db2.gz GSFQKJMORXMBSP-GFCCVEGCSA-N 2 1 345.444 -1.105 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001146746417 787516416 /nfs/dbraw/zinc/51/64/16/787516416.db2.gz GSFQKJMORXMBSP-LBPRGKRZSA-N 2 1 345.444 -1.105 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001146746975 787515802 /nfs/dbraw/zinc/51/58/02/787515802.db2.gz PGLTWRDGMGAJNU-GFCCVEGCSA-N 2 1 329.445 -1.373 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001146746978 787516092 /nfs/dbraw/zinc/51/60/92/787516092.db2.gz PGLTWRDGMGAJNU-LBPRGKRZSA-N 2 1 329.445 -1.373 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)C1 ZINC001147297432 787534950 /nfs/dbraw/zinc/53/49/50/787534950.db2.gz KQVILQOSOOOUQF-AWEZNQCLSA-N 2 1 327.425 -1.140 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)C1 ZINC001147297432 787534942 /nfs/dbraw/zinc/53/49/42/787534942.db2.gz KQVILQOSOOOUQF-AWEZNQCLSA-N 2 1 327.425 -1.140 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001147297432 787534940 /nfs/dbraw/zinc/53/49/40/787534940.db2.gz KQVILQOSOOOUQF-AWEZNQCLSA-N 2 1 327.425 -1.140 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001147297432 787534930 /nfs/dbraw/zinc/53/49/30/787534930.db2.gz KQVILQOSOOOUQF-AWEZNQCLSA-N 2 1 327.425 -1.140 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCOCCO)C3)C1 ZINC001147297433 787534378 /nfs/dbraw/zinc/53/43/78/787534378.db2.gz KQVILQOSOOOUQF-CQSZACIVSA-N 2 1 327.425 -1.140 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)C1 ZINC001147297433 787534372 /nfs/dbraw/zinc/53/43/72/787534372.db2.gz KQVILQOSOOOUQF-CQSZACIVSA-N 2 1 327.425 -1.140 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001147297433 787534363 /nfs/dbraw/zinc/53/43/63/787534363.db2.gz KQVILQOSOOOUQF-CQSZACIVSA-N 2 1 327.425 -1.140 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001147297433 787534357 /nfs/dbraw/zinc/53/43/57/787534357.db2.gz KQVILQOSOOOUQF-CQSZACIVSA-N 2 1 327.425 -1.140 20 0 EAADMP COC[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298861 787535261 /nfs/dbraw/zinc/53/52/61/787535261.db2.gz YARUCFBWDZWJDI-KBPBESRZSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298861 787535255 /nfs/dbraw/zinc/53/52/55/787535255.db2.gz YARUCFBWDZWJDI-KBPBESRZSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298861 787535249 /nfs/dbraw/zinc/53/52/49/787535249.db2.gz YARUCFBWDZWJDI-KBPBESRZSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298861 787535246 /nfs/dbraw/zinc/53/52/46/787535246.db2.gz YARUCFBWDZWJDI-KBPBESRZSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298862 787534168 /nfs/dbraw/zinc/53/41/68/787534168.db2.gz YARUCFBWDZWJDI-KGLIPLIRSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298862 787534161 /nfs/dbraw/zinc/53/41/61/787534161.db2.gz YARUCFBWDZWJDI-KGLIPLIRSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298862 787534157 /nfs/dbraw/zinc/53/41/57/787534157.db2.gz YARUCFBWDZWJDI-KGLIPLIRSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298862 787534149 /nfs/dbraw/zinc/53/41/49/787534149.db2.gz YARUCFBWDZWJDI-KGLIPLIRSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298863 787535123 /nfs/dbraw/zinc/53/51/23/787535123.db2.gz YARUCFBWDZWJDI-UONOGXRCSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298863 787535121 /nfs/dbraw/zinc/53/51/21/787535121.db2.gz YARUCFBWDZWJDI-UONOGXRCSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298863 787535114 /nfs/dbraw/zinc/53/51/14/787535114.db2.gz YARUCFBWDZWJDI-UONOGXRCSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298863 787535106 /nfs/dbraw/zinc/53/51/06/787535106.db2.gz YARUCFBWDZWJDI-UONOGXRCSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298864 787533938 /nfs/dbraw/zinc/53/39/38/787533938.db2.gz YARUCFBWDZWJDI-ZIAGYGMSSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298864 787533935 /nfs/dbraw/zinc/53/39/35/787533935.db2.gz YARUCFBWDZWJDI-ZIAGYGMSSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298864 787533929 /nfs/dbraw/zinc/53/39/29/787533929.db2.gz YARUCFBWDZWJDI-ZIAGYGMSSA-N 2 1 327.425 -1.141 20 0 EAADMP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298864 787533923 /nfs/dbraw/zinc/53/39/23/787533923.db2.gz YARUCFBWDZWJDI-ZIAGYGMSSA-N 2 1 327.425 -1.141 20 0 EAADMP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001147841811 787566994 /nfs/dbraw/zinc/56/69/94/787566994.db2.gz ISXDBCKTUSHMSU-UHFFFAOYSA-N 2 1 326.401 -1.408 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001147884269 787567973 /nfs/dbraw/zinc/56/79/73/787567973.db2.gz CQGPDRLGPNROAU-GFCCVEGCSA-N 2 1 325.413 -2.008 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001147884271 787568842 /nfs/dbraw/zinc/56/88/42/787568842.db2.gz CQGPDRLGPNROAU-LBPRGKRZSA-N 2 1 325.413 -2.008 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001147893006 787568505 /nfs/dbraw/zinc/56/85/05/787568505.db2.gz NOXNKSMGDIKYLD-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001147893007 787567898 /nfs/dbraw/zinc/56/78/98/787567898.db2.gz NOXNKSMGDIKYLD-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893378 787567832 /nfs/dbraw/zinc/56/78/32/787567832.db2.gz PBMICZQPRLXABP-CHWSQXEVSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893381 787568660 /nfs/dbraw/zinc/56/86/60/787568660.db2.gz PBMICZQPRLXABP-OLZOCXBDSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893384 787567948 /nfs/dbraw/zinc/56/79/48/787567948.db2.gz PBMICZQPRLXABP-QWHCGFSZSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001147893387 787567863 /nfs/dbraw/zinc/56/78/63/787567863.db2.gz PBMICZQPRLXABP-STQMWFEESA-N 2 1 340.424 -1.456 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899958 787570947 /nfs/dbraw/zinc/57/09/47/787570947.db2.gz DXRFGCCHJNEKII-GFCCVEGCSA-N 2 1 337.424 -1.368 20 0 EAADMP Cn1c(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001147899959 787570921 /nfs/dbraw/zinc/57/09/21/787570921.db2.gz DXRFGCCHJNEKII-LBPRGKRZSA-N 2 1 337.424 -1.368 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147900301 787569396 /nfs/dbraw/zinc/56/93/96/787569396.db2.gz LUBYTGVDGCTBDE-CHWSQXEVSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147900302 787569709 /nfs/dbraw/zinc/56/97/09/787569709.db2.gz LUBYTGVDGCTBDE-OLZOCXBDSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147900303 787570055 /nfs/dbraw/zinc/57/00/55/787570055.db2.gz LUBYTGVDGCTBDE-QWHCGFSZSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001147900304 787569957 /nfs/dbraw/zinc/56/99/57/787569957.db2.gz LUBYTGVDGCTBDE-STQMWFEESA-N 2 1 341.456 -1.373 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)[C@H]2NCN[C@H]21 ZINC001147976578 787570498 /nfs/dbraw/zinc/57/04/98/787570498.db2.gz YCNFJTKXYFNDQB-ARFHVFGLSA-N 2 1 345.451 -1.147 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)[C@H]2NCN[C@@H]21 ZINC001147976579 787570206 /nfs/dbraw/zinc/57/02/06/787570206.db2.gz YCNFJTKXYFNDQB-BZUAXINKSA-N 2 1 345.451 -1.147 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)[C@@H]2NCN[C@@H]21 ZINC001147976580 787570029 /nfs/dbraw/zinc/57/00/29/787570029.db2.gz YCNFJTKXYFNDQB-OAGGEKHMSA-N 2 1 345.451 -1.147 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(CC[NH+]3CCCC3)nc2)[C@@H]2NCN[C@H]21 ZINC001147976581 787570220 /nfs/dbraw/zinc/57/02/20/787570220.db2.gz YCNFJTKXYFNDQB-XHSDSOJGSA-N 2 1 345.451 -1.147 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210342 787578076 /nfs/dbraw/zinc/57/80/76/787578076.db2.gz LHRFZMDOXWBLRZ-UHFFFAOYSA-N 2 1 325.413 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210342 787578074 /nfs/dbraw/zinc/57/80/74/787578074.db2.gz LHRFZMDOXWBLRZ-UHFFFAOYSA-N 2 1 325.413 -1.072 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148292642 787582085 /nfs/dbraw/zinc/58/20/85/787582085.db2.gz NRNFFLXZXDJTCE-NEPJUHHUSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148292642 787582073 /nfs/dbraw/zinc/58/20/73/787582073.db2.gz NRNFFLXZXDJTCE-NEPJUHHUSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292642 787582070 /nfs/dbraw/zinc/58/20/70/787582070.db2.gz NRNFFLXZXDJTCE-NEPJUHHUSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292642 787582066 /nfs/dbraw/zinc/58/20/66/787582066.db2.gz NRNFFLXZXDJTCE-NEPJUHHUSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148292643 787582383 /nfs/dbraw/zinc/58/23/83/787582383.db2.gz NRNFFLXZXDJTCE-NWDGAFQWSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148292643 787582376 /nfs/dbraw/zinc/58/23/76/787582376.db2.gz NRNFFLXZXDJTCE-NWDGAFQWSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292643 787582368 /nfs/dbraw/zinc/58/23/68/787582368.db2.gz NRNFFLXZXDJTCE-NWDGAFQWSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292643 787582360 /nfs/dbraw/zinc/58/23/60/787582360.db2.gz NRNFFLXZXDJTCE-NWDGAFQWSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148292644 787581948 /nfs/dbraw/zinc/58/19/48/787581948.db2.gz NRNFFLXZXDJTCE-RYUDHWBXSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148292644 787581945 /nfs/dbraw/zinc/58/19/45/787581945.db2.gz NRNFFLXZXDJTCE-RYUDHWBXSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292644 787581939 /nfs/dbraw/zinc/58/19/39/787581939.db2.gz NRNFFLXZXDJTCE-RYUDHWBXSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292644 787581936 /nfs/dbraw/zinc/58/19/36/787581936.db2.gz NRNFFLXZXDJTCE-RYUDHWBXSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148292645 787583012 /nfs/dbraw/zinc/58/30/12/787583012.db2.gz NRNFFLXZXDJTCE-VXGBXAGGSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148292645 787583009 /nfs/dbraw/zinc/58/30/09/787583009.db2.gz NRNFFLXZXDJTCE-VXGBXAGGSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292645 787583003 /nfs/dbraw/zinc/58/30/03/787583003.db2.gz NRNFFLXZXDJTCE-VXGBXAGGSA-N 2 1 337.424 -1.087 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NC(N)=O)C2 ZINC001148292645 787583000 /nfs/dbraw/zinc/58/30/00/787583000.db2.gz NRNFFLXZXDJTCE-VXGBXAGGSA-N 2 1 337.424 -1.087 20 0 EAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001148571188 787590989 /nfs/dbraw/zinc/59/09/89/787590989.db2.gz ZSEPXILKGKMMHZ-UHFFFAOYSA-N 2 1 327.429 -1.618 20 0 EAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001148578195 787594667 /nfs/dbraw/zinc/59/46/67/787594667.db2.gz QBFTUMSRXPSBQW-CYBMUJFWSA-N 2 1 342.440 -1.066 20 0 EAADMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001148578196 787594716 /nfs/dbraw/zinc/59/47/16/787594716.db2.gz QBFTUMSRXPSBQW-ZDUSSCGKSA-N 2 1 342.440 -1.066 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NC(N)=O)C2 ZINC001148605394 787593918 /nfs/dbraw/zinc/59/39/18/787593918.db2.gz QQDZRQXDYCUWLW-UHFFFAOYSA-N 2 1 341.412 -1.706 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NC(N)=O)C2 ZINC001148605394 787593914 /nfs/dbraw/zinc/59/39/14/787593914.db2.gz QQDZRQXDYCUWLW-UHFFFAOYSA-N 2 1 341.412 -1.706 20 0 EAADMP NC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148612126 787593491 /nfs/dbraw/zinc/59/34/91/787593491.db2.gz VUTJJHGYVYLKSM-UHFFFAOYSA-N 2 1 335.408 -1.189 20 0 EAADMP NC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148612126 787593485 /nfs/dbraw/zinc/59/34/85/787593485.db2.gz VUTJJHGYVYLKSM-UHFFFAOYSA-N 2 1 335.408 -1.189 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001148642459 787593228 /nfs/dbraw/zinc/59/32/28/787593228.db2.gz JRFRGVIAUMGMGL-UHFFFAOYSA-N 2 1 341.456 -1.242 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001148642864 787594653 /nfs/dbraw/zinc/59/46/53/787594653.db2.gz ONGDHKJCNJHFAM-GFCCVEGCSA-N 2 1 328.413 -1.456 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001148642865 787594243 /nfs/dbraw/zinc/59/42/43/787594243.db2.gz ONGDHKJCNJHFAM-LBPRGKRZSA-N 2 1 328.413 -1.456 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001148654874 787594019 /nfs/dbraw/zinc/59/40/19/787594019.db2.gz CUKBJWGJDTVDOY-CYBMUJFWSA-N 2 1 341.456 -1.242 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001148654975 787593119 /nfs/dbraw/zinc/59/31/19/787593119.db2.gz CUKBJWGJDTVDOY-ZDUSSCGKSA-N 2 1 341.456 -1.242 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCN(C(C)=O)CC1 ZINC001148655189 787593678 /nfs/dbraw/zinc/59/36/78/787593678.db2.gz JOPLBFKIXIZGCY-UHFFFAOYSA-N 2 1 341.456 -1.275 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@H](C)COC ZINC001148655293 787593547 /nfs/dbraw/zinc/59/35/47/787593547.db2.gz LFGZEURNAYWAQD-GFCCVEGCSA-N 2 1 345.444 -1.105 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)N[C@@H](C)COC ZINC001148655294 787593211 /nfs/dbraw/zinc/59/32/11/787593211.db2.gz LFGZEURNAYWAQD-LBPRGKRZSA-N 2 1 345.444 -1.105 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001148655346 787594697 /nfs/dbraw/zinc/59/46/97/787594697.db2.gz MXSLRTXZHHMEDM-UHFFFAOYSA-N 2 1 341.456 -1.227 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001148656244 787593902 /nfs/dbraw/zinc/59/39/02/787593902.db2.gz XXYFJZVLXMYGSO-GFCCVEGCSA-N 2 1 329.445 -1.373 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001148656245 787593627 /nfs/dbraw/zinc/59/36/27/787593627.db2.gz XXYFJZVLXMYGSO-LBPRGKRZSA-N 2 1 329.445 -1.373 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001148656334 787593691 /nfs/dbraw/zinc/59/36/91/787593691.db2.gz ZHQBVIHGWWGCHI-UHFFFAOYSA-N 2 1 325.413 -1.368 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148747908 787597228 /nfs/dbraw/zinc/59/72/28/787597228.db2.gz DHUIMVRWPGPKJG-GFCCVEGCSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148747908 787597222 /nfs/dbraw/zinc/59/72/22/787597222.db2.gz DHUIMVRWPGPKJG-GFCCVEGCSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148747908 787597218 /nfs/dbraw/zinc/59/72/18/787597218.db2.gz DHUIMVRWPGPKJG-GFCCVEGCSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148747908 787597215 /nfs/dbraw/zinc/59/72/15/787597215.db2.gz DHUIMVRWPGPKJG-GFCCVEGCSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148747909 787597938 /nfs/dbraw/zinc/59/79/38/787597938.db2.gz DHUIMVRWPGPKJG-LBPRGKRZSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148747909 787597931 /nfs/dbraw/zinc/59/79/31/787597931.db2.gz DHUIMVRWPGPKJG-LBPRGKRZSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148747909 787597926 /nfs/dbraw/zinc/59/79/26/787597926.db2.gz DHUIMVRWPGPKJG-LBPRGKRZSA-N 2 1 337.424 -1.072 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148747909 787597920 /nfs/dbraw/zinc/59/79/20/787597920.db2.gz DHUIMVRWPGPKJG-LBPRGKRZSA-N 2 1 337.424 -1.072 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)CCCO2)C1 ZINC001149439762 787569278 /nfs/dbraw/zinc/56/92/78/787569278.db2.gz OFMYEDHKWCQURB-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)C1 ZINC001149439762 787569274 /nfs/dbraw/zinc/56/92/74/787569274.db2.gz OFMYEDHKWCQURB-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439762 787569268 /nfs/dbraw/zinc/56/92/68/787569268.db2.gz OFMYEDHKWCQURB-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439762 787569260 /nfs/dbraw/zinc/56/92/60/787569260.db2.gz OFMYEDHKWCQURB-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@@H+](CCOCCO)CCCO2)C1 ZINC001149439764 787570875 /nfs/dbraw/zinc/57/08/75/787570875.db2.gz OFMYEDHKWCQURB-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)C1 ZINC001149439764 787570867 /nfs/dbraw/zinc/57/08/67/787570867.db2.gz OFMYEDHKWCQURB-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439764 787570863 /nfs/dbraw/zinc/57/08/63/787570863.db2.gz OFMYEDHKWCQURB-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439764 787570853 /nfs/dbraw/zinc/57/08/53/787570853.db2.gz OFMYEDHKWCQURB-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CCOCCO)CCCO2)C1 ZINC001149439766 787571008 /nfs/dbraw/zinc/57/10/08/787571008.db2.gz OFMYEDHKWCQURB-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)C1 ZINC001149439766 787571003 /nfs/dbraw/zinc/57/10/03/787571003.db2.gz OFMYEDHKWCQURB-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439766 787571000 /nfs/dbraw/zinc/57/10/00/787571000.db2.gz OFMYEDHKWCQURB-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439766 787570998 /nfs/dbraw/zinc/57/09/98/787570998.db2.gz OFMYEDHKWCQURB-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@@H+](CCOCCO)CCCO2)C1 ZINC001149439767 787570345 /nfs/dbraw/zinc/57/03/45/787570345.db2.gz OFMYEDHKWCQURB-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)C1 ZINC001149439767 787570343 /nfs/dbraw/zinc/57/03/43/787570343.db2.gz OFMYEDHKWCQURB-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439767 787570329 /nfs/dbraw/zinc/57/03/29/787570329.db2.gz OFMYEDHKWCQURB-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001149439767 787570322 /nfs/dbraw/zinc/57/03/22/787570322.db2.gz OFMYEDHKWCQURB-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240869 793143826 /nfs/dbraw/zinc/14/38/26/793143826.db2.gz JAAVJFKRXQZEAE-NEPJUHHUSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240869 793143821 /nfs/dbraw/zinc/14/38/21/793143821.db2.gz JAAVJFKRXQZEAE-NEPJUHHUSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240871 793145336 /nfs/dbraw/zinc/14/53/36/793145336.db2.gz JAAVJFKRXQZEAE-NWDGAFQWSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240871 793145332 /nfs/dbraw/zinc/14/53/32/793145332.db2.gz JAAVJFKRXQZEAE-NWDGAFQWSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240873 793145618 /nfs/dbraw/zinc/14/56/18/793145618.db2.gz JAAVJFKRXQZEAE-RYUDHWBXSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240873 793145610 /nfs/dbraw/zinc/14/56/10/793145610.db2.gz JAAVJFKRXQZEAE-RYUDHWBXSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240875 793144716 /nfs/dbraw/zinc/14/47/16/793144716.db2.gz JAAVJFKRXQZEAE-VXGBXAGGSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240875 793144710 /nfs/dbraw/zinc/14/47/10/793144710.db2.gz JAAVJFKRXQZEAE-VXGBXAGGSA-N 2 1 343.428 -1.271 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241002 793145491 /nfs/dbraw/zinc/14/54/91/793145491.db2.gz KZXHRNHFFGIGIH-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241002 793145485 /nfs/dbraw/zinc/14/54/85/793145485.db2.gz KZXHRNHFFGIGIH-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241003 793144801 /nfs/dbraw/zinc/14/48/01/793144801.db2.gz KZXHRNHFFGIGIH-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241003 793144795 /nfs/dbraw/zinc/14/47/95/793144795.db2.gz KZXHRNHFFGIGIH-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241004 793145183 /nfs/dbraw/zinc/14/51/83/793145183.db2.gz KZXHRNHFFGIGIH-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241004 793145180 /nfs/dbraw/zinc/14/51/80/793145180.db2.gz KZXHRNHFFGIGIH-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241005 793144595 /nfs/dbraw/zinc/14/45/95/793144595.db2.gz KZXHRNHFFGIGIH-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCCO1 ZINC001150241005 793144593 /nfs/dbraw/zinc/14/45/93/793144593.db2.gz KZXHRNHFFGIGIH-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP CN(C)C(=O)C[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586857 793175877 /nfs/dbraw/zinc/17/58/77/793175877.db2.gz BHMQFFHDEUBAML-AWEZNQCLSA-N 2 1 344.456 -1.140 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586857 793175871 /nfs/dbraw/zinc/17/58/71/793175871.db2.gz BHMQFFHDEUBAML-AWEZNQCLSA-N 2 1 344.456 -1.140 20 0 EAADMP CN(C)C(=O)C[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586858 787864125 /nfs/dbraw/zinc/86/41/25/787864125.db2.gz BHMQFFHDEUBAML-CQSZACIVSA-N 2 1 344.456 -1.140 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586858 787864116 /nfs/dbraw/zinc/86/41/16/787864116.db2.gz BHMQFFHDEUBAML-CQSZACIVSA-N 2 1 344.456 -1.140 20 0 EAADMP C[C@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586933 793175355 /nfs/dbraw/zinc/17/53/55/793175355.db2.gz CPHBSJQZIUZGFH-CHWSQXEVSA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586933 793175345 /nfs/dbraw/zinc/17/53/45/793175345.db2.gz CPHBSJQZIUZGFH-CHWSQXEVSA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586934 793175436 /nfs/dbraw/zinc/17/54/36/793175436.db2.gz CPHBSJQZIUZGFH-OLZOCXBDSA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586934 793175426 /nfs/dbraw/zinc/17/54/26/793175426.db2.gz CPHBSJQZIUZGFH-OLZOCXBDSA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@@H](C(N)=O)[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586935 793176122 /nfs/dbraw/zinc/17/61/22/793176122.db2.gz CPHBSJQZIUZGFH-QWHCGFSZSA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@@H](C(N)=O)[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586935 793176117 /nfs/dbraw/zinc/17/61/17/793176117.db2.gz CPHBSJQZIUZGFH-QWHCGFSZSA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@@H](C(N)=O)[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586936 793176619 /nfs/dbraw/zinc/17/66/19/793176619.db2.gz CPHBSJQZIUZGFH-STQMWFEESA-N 2 1 330.429 -1.355 20 0 EAADMP C[C@@H](C(N)=O)[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586936 793176612 /nfs/dbraw/zinc/17/66/12/793176612.db2.gz CPHBSJQZIUZGFH-STQMWFEESA-N 2 1 330.429 -1.355 20 0 EAADMP COC[C@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587741 793175298 /nfs/dbraw/zinc/17/52/98/793175298.db2.gz JONQTBSWSRBCQP-CABCVRRESA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587742 793176005 /nfs/dbraw/zinc/17/60/05/793176005.db2.gz JONQTBSWSRBCQP-GJZGRUSLSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@H](O)C[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587743 793175611 /nfs/dbraw/zinc/17/56/11/793175611.db2.gz JONQTBSWSRBCQP-HUUCEWRRSA-N 2 1 347.456 -1.221 20 0 EAADMP COC[C@@H](O)C[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587744 793176250 /nfs/dbraw/zinc/17/62/50/793176250.db2.gz JONQTBSWSRBCQP-LSDHHAIUSA-N 2 1 347.456 -1.221 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001150588350 793175535 /nfs/dbraw/zinc/17/55/35/793175535.db2.gz ODGLREXRECWHDG-HNNXBMFYSA-N 2 1 347.456 -1.219 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@@H+](CCOCCO)CCCO1 ZINC001150588352 793176480 /nfs/dbraw/zinc/17/64/80/793176480.db2.gz ODGLREXRECWHDG-OAHLLOKOSA-N 2 1 347.456 -1.219 20 0 EAADMP CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589089 793174799 /nfs/dbraw/zinc/17/47/99/793174799.db2.gz SWDKZHCEMHXSNL-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589089 793174789 /nfs/dbraw/zinc/17/47/89/793174789.db2.gz SWDKZHCEMHXSNL-KBPBESRZSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589092 793176044 /nfs/dbraw/zinc/17/60/44/793176044.db2.gz SWDKZHCEMHXSNL-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589092 793176042 /nfs/dbraw/zinc/17/60/42/793176042.db2.gz SWDKZHCEMHXSNL-KGLIPLIRSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589095 793176029 /nfs/dbraw/zinc/17/60/29/793176029.db2.gz SWDKZHCEMHXSNL-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589095 793176025 /nfs/dbraw/zinc/17/60/25/793176025.db2.gz SWDKZHCEMHXSNL-UONOGXRCSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589098 793176364 /nfs/dbraw/zinc/17/63/64/793176364.db2.gz SWDKZHCEMHXSNL-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589098 793176357 /nfs/dbraw/zinc/17/63/57/793176357.db2.gz SWDKZHCEMHXSNL-ZIAGYGMSSA-N 2 1 344.456 -1.094 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150589470 793176647 /nfs/dbraw/zinc/17/66/47/793176647.db2.gz TYQGWVDBDVDHND-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150589470 793176643 /nfs/dbraw/zinc/17/66/43/793176643.db2.gz TYQGWVDBDVDHND-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150589471 793176598 /nfs/dbraw/zinc/17/65/98/793176598.db2.gz TYQGWVDBDVDHND-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCCO1 ZINC001150589471 793176591 /nfs/dbraw/zinc/17/65/91/793176591.db2.gz TYQGWVDBDVDHND-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150589472 793176231 /nfs/dbraw/zinc/17/62/31/793176231.db2.gz TYQGWVDBDVDHND-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150589472 793176229 /nfs/dbraw/zinc/17/62/29/793176229.db2.gz TYQGWVDBDVDHND-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150589473 793175644 /nfs/dbraw/zinc/17/56/44/793175644.db2.gz TYQGWVDBDVDHND-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CCCO1 ZINC001150589473 793175640 /nfs/dbraw/zinc/17/56/40/793175640.db2.gz TYQGWVDBDVDHND-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056524 793195301 /nfs/dbraw/zinc/19/53/01/793195301.db2.gz NRYNHEFDCROJSU-CHWSQXEVSA-N 2 1 332.470 -1.075 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056528 793195046 /nfs/dbraw/zinc/19/50/46/793195046.db2.gz NRYNHEFDCROJSU-OLZOCXBDSA-N 2 1 332.470 -1.075 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056533 793195367 /nfs/dbraw/zinc/19/53/67/793195367.db2.gz NRYNHEFDCROJSU-QWHCGFSZSA-N 2 1 332.470 -1.075 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001151056537 793194905 /nfs/dbraw/zinc/19/49/05/793194905.db2.gz NRYNHEFDCROJSU-STQMWFEESA-N 2 1 332.470 -1.075 20 0 EAADMP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151064667 793197292 /nfs/dbraw/zinc/19/72/92/793197292.db2.gz CXFNNDKHQLLCSR-AWEZNQCLSA-N 2 1 339.440 -1.665 20 0 EAADMP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001151064668 793196323 /nfs/dbraw/zinc/19/63/23/793196323.db2.gz CXFNNDKHQLLCSR-CQSZACIVSA-N 2 1 339.440 -1.665 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064933 789671237 /nfs/dbraw/zinc/67/12/37/789671237.db2.gz GAKXRPGRMCOQFE-NEPJUHHUSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064937 789670097 /nfs/dbraw/zinc/67/00/97/789670097.db2.gz GAKXRPGRMCOQFE-NWDGAFQWSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064938 789671256 /nfs/dbraw/zinc/67/12/56/789671256.db2.gz GAKXRPGRMCOQFE-RYUDHWBXSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001151064940 789670548 /nfs/dbraw/zinc/67/05/48/789670548.db2.gz GAKXRPGRMCOQFE-VXGBXAGGSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066645 789671363 /nfs/dbraw/zinc/67/13/63/789671363.db2.gz WPNCDYJQLYJDSF-CYBMUJFWSA-N 2 1 339.440 -1.632 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001151066646 789670852 /nfs/dbraw/zinc/67/08/52/789670852.db2.gz WPNCDYJQLYJDSF-ZDUSSCGKSA-N 2 1 339.440 -1.632 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001151072912 789672210 /nfs/dbraw/zinc/67/22/10/789672210.db2.gz ABCRAYLJPSRQDK-LLVKDONJSA-N 2 1 325.413 -1.026 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001151072913 793196182 /nfs/dbraw/zinc/19/61/82/793196182.db2.gz ABCRAYLJPSRQDK-NSHDSACASA-N 2 1 325.413 -1.026 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072916 793197467 /nfs/dbraw/zinc/19/74/67/793197467.db2.gz AFPVBABRQKREBM-NEPJUHHUSA-N 2 1 343.428 -1.495 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072917 793197390 /nfs/dbraw/zinc/19/73/90/793197390.db2.gz AFPVBABRQKREBM-NWDGAFQWSA-N 2 1 343.428 -1.495 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151072918 793197105 /nfs/dbraw/zinc/19/71/05/793197105.db2.gz AFPVBABRQKREBM-RYUDHWBXSA-N 2 1 343.428 -1.495 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151072919 793197280 /nfs/dbraw/zinc/19/72/80/793197280.db2.gz AFPVBABRQKREBM-VXGBXAGGSA-N 2 1 343.428 -1.495 20 0 EAADMP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073464 793196870 /nfs/dbraw/zinc/19/68/70/793196870.db2.gz LRTCDWGLAKZINS-CYBMUJFWSA-N 2 1 341.456 -1.372 20 0 EAADMP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073465 793196674 /nfs/dbraw/zinc/19/66/74/793196674.db2.gz LRTCDWGLAKZINS-ZDUSSCGKSA-N 2 1 341.456 -1.372 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001151073857 793197212 /nfs/dbraw/zinc/19/72/12/793197212.db2.gz RERNTDSJGYKQDE-CYBMUJFWSA-N 2 1 339.440 -1.618 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)N2CCCC2)C1 ZINC001151073859 793196940 /nfs/dbraw/zinc/19/69/40/793196940.db2.gz RERNTDSJGYKQDE-ZDUSSCGKSA-N 2 1 339.440 -1.618 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074100 793197600 /nfs/dbraw/zinc/19/76/00/793197600.db2.gz VEYGIPZUXWXXJB-CHWSQXEVSA-N 2 1 339.440 -1.632 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001151074101 793196759 /nfs/dbraw/zinc/19/67/59/793196759.db2.gz VEYGIPZUXWXXJB-OLZOCXBDSA-N 2 1 339.440 -1.632 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074102 793196652 /nfs/dbraw/zinc/19/66/52/793196652.db2.gz VEYGIPZUXWXXJB-QWHCGFSZSA-N 2 1 339.440 -1.632 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001151074103 793196462 /nfs/dbraw/zinc/19/64/62/793196462.db2.gz VEYGIPZUXWXXJB-STQMWFEESA-N 2 1 339.440 -1.632 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151074146 793196616 /nfs/dbraw/zinc/19/66/16/793196616.db2.gz WFFBHFHRJZHCAR-NEPJUHHUSA-N 2 1 327.429 -1.763 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151074149 793197021 /nfs/dbraw/zinc/19/70/21/793197021.db2.gz WFFBHFHRJZHCAR-NWDGAFQWSA-N 2 1 327.429 -1.763 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151074150 793197363 /nfs/dbraw/zinc/19/73/63/793197363.db2.gz WFFBHFHRJZHCAR-RYUDHWBXSA-N 2 1 327.429 -1.763 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001151074152 793196717 /nfs/dbraw/zinc/19/67/17/793196717.db2.gz WFFBHFHRJZHCAR-VXGBXAGGSA-N 2 1 327.429 -1.763 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001151115647 793196590 /nfs/dbraw/zinc/19/65/90/793196590.db2.gz ZKAFWFRMQIZFTN-UHFFFAOYSA-N 2 1 329.426 -1.067 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001151121927 793196427 /nfs/dbraw/zinc/19/64/27/793196427.db2.gz NRYSLKZQNJMACF-GFCCVEGCSA-N 2 1 337.380 -1.593 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001151121930 793196047 /nfs/dbraw/zinc/19/60/47/793196047.db2.gz NRYSLKZQNJMACF-LBPRGKRZSA-N 2 1 337.380 -1.593 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001151146992 793198128 /nfs/dbraw/zinc/19/81/28/793198128.db2.gz CFCQWUZGBMGISV-LLVKDONJSA-N 2 1 338.412 -1.510 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001151146993 793198050 /nfs/dbraw/zinc/19/80/50/793198050.db2.gz CFCQWUZGBMGISV-NSHDSACASA-N 2 1 338.412 -1.510 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001151147440 793199735 /nfs/dbraw/zinc/19/97/35/793199735.db2.gz NZGFFKSBXIBJKI-UHFFFAOYSA-N 2 1 334.380 -1.505 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001151737803 793214265 /nfs/dbraw/zinc/21/42/65/793214265.db2.gz FOIXZFOKBAMDKC-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001151737803 793214260 /nfs/dbraw/zinc/21/42/60/793214260.db2.gz FOIXZFOKBAMDKC-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001151737805 793215747 /nfs/dbraw/zinc/21/57/47/793215747.db2.gz FOIXZFOKBAMDKC-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001151737805 793215738 /nfs/dbraw/zinc/21/57/38/793215738.db2.gz FOIXZFOKBAMDKC-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001151737807 793215515 /nfs/dbraw/zinc/21/55/15/793215515.db2.gz FOIXZFOKBAMDKC-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001151737807 793215509 /nfs/dbraw/zinc/21/55/09/793215509.db2.gz FOIXZFOKBAMDKC-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001151737808 793214720 /nfs/dbraw/zinc/21/47/20/793214720.db2.gz FOIXZFOKBAMDKC-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001151737808 793214717 /nfs/dbraw/zinc/21/47/17/793214717.db2.gz FOIXZFOKBAMDKC-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001151738191 793214739 /nfs/dbraw/zinc/21/47/39/793214739.db2.gz GJAXRULFAJCDSR-GFCCVEGCSA-N 2 1 336.458 -1.696 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001151738191 793214734 /nfs/dbraw/zinc/21/47/34/793214734.db2.gz GJAXRULFAJCDSR-GFCCVEGCSA-N 2 1 336.458 -1.696 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001151738192 793215836 /nfs/dbraw/zinc/21/58/36/793215836.db2.gz GJAXRULFAJCDSR-LBPRGKRZSA-N 2 1 336.458 -1.696 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001151738192 793215831 /nfs/dbraw/zinc/21/58/31/793215831.db2.gz GJAXRULFAJCDSR-LBPRGKRZSA-N 2 1 336.458 -1.696 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001151738401 790532890 /nfs/dbraw/zinc/53/28/90/790532890.db2.gz IBLAYCWNXXREHC-KBPBESRZSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001151738401 790532884 /nfs/dbraw/zinc/53/28/84/790532884.db2.gz IBLAYCWNXXREHC-KBPBESRZSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001151738405 790533180 /nfs/dbraw/zinc/53/31/80/790533180.db2.gz IBLAYCWNXXREHC-KGLIPLIRSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001151738405 790533171 /nfs/dbraw/zinc/53/31/71/790533171.db2.gz IBLAYCWNXXREHC-KGLIPLIRSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001151738413 790533134 /nfs/dbraw/zinc/53/31/34/790533134.db2.gz IBLAYCWNXXREHC-UONOGXRCSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001151738413 790533130 /nfs/dbraw/zinc/53/31/30/790533130.db2.gz IBLAYCWNXXREHC-UONOGXRCSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001151738416 790534832 /nfs/dbraw/zinc/53/48/32/790534832.db2.gz IBLAYCWNXXREHC-ZIAGYGMSSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001151738416 790534828 /nfs/dbraw/zinc/53/48/28/790534828.db2.gz IBLAYCWNXXREHC-ZIAGYGMSSA-N 2 1 333.429 -1.563 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151739828 793215960 /nfs/dbraw/zinc/21/59/60/793215960.db2.gz OAVIZLZKLJVLSD-LLVKDONJSA-N 2 1 327.385 -2.035 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151739828 793215954 /nfs/dbraw/zinc/21/59/54/793215954.db2.gz OAVIZLZKLJVLSD-LLVKDONJSA-N 2 1 327.385 -2.035 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151739829 793215241 /nfs/dbraw/zinc/21/52/41/793215241.db2.gz OAVIZLZKLJVLSD-NSHDSACASA-N 2 1 327.385 -2.035 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001151739829 793215233 /nfs/dbraw/zinc/21/52/33/793215233.db2.gz OAVIZLZKLJVLSD-NSHDSACASA-N 2 1 327.385 -2.035 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001151739892 793214679 /nfs/dbraw/zinc/21/46/79/793214679.db2.gz ORXQQDKHQFIUHQ-AWEZNQCLSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001151739892 793214678 /nfs/dbraw/zinc/21/46/78/793214678.db2.gz ORXQQDKHQFIUHQ-AWEZNQCLSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001151739893 793215600 /nfs/dbraw/zinc/21/56/00/793215600.db2.gz ORXQQDKHQFIUHQ-CQSZACIVSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001151739893 793215594 /nfs/dbraw/zinc/21/55/94/793215594.db2.gz ORXQQDKHQFIUHQ-CQSZACIVSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001151740253 793214801 /nfs/dbraw/zinc/21/48/01/793214801.db2.gz RARJJQDLYUTVTC-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001151740253 793214796 /nfs/dbraw/zinc/21/47/96/793214796.db2.gz RARJJQDLYUTVTC-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001151740254 793215883 /nfs/dbraw/zinc/21/58/83/793215883.db2.gz RARJJQDLYUTVTC-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001151740254 793215880 /nfs/dbraw/zinc/21/58/80/793215880.db2.gz RARJJQDLYUTVTC-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001151740255 793215991 /nfs/dbraw/zinc/21/59/91/793215991.db2.gz RARJJQDLYUTVTC-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001151740255 793215982 /nfs/dbraw/zinc/21/59/82/793215982.db2.gz RARJJQDLYUTVTC-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001151740256 790533483 /nfs/dbraw/zinc/53/34/83/790533483.db2.gz RARJJQDLYUTVTC-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001151740256 790533476 /nfs/dbraw/zinc/53/34/76/790533476.db2.gz RARJJQDLYUTVTC-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001151740287 793214690 /nfs/dbraw/zinc/21/46/90/793214690.db2.gz RPXJSVZOVQZVBX-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001151740287 793214687 /nfs/dbraw/zinc/21/46/87/793214687.db2.gz RPXJSVZOVQZVBX-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001151740288 793214702 /nfs/dbraw/zinc/21/47/02/793214702.db2.gz RPXJSVZOVQZVBX-MNOVXSKESA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001151740288 793214700 /nfs/dbraw/zinc/21/47/00/793214700.db2.gz RPXJSVZOVQZVBX-MNOVXSKESA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001151740289 793214665 /nfs/dbraw/zinc/21/46/65/793214665.db2.gz RPXJSVZOVQZVBX-QWRGUYRKSA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001151740289 793214663 /nfs/dbraw/zinc/21/46/63/793214663.db2.gz RPXJSVZOVQZVBX-QWRGUYRKSA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001151740290 793215340 /nfs/dbraw/zinc/21/53/40/793215340.db2.gz RPXJSVZOVQZVBX-WDEREUQCSA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001151740290 793215331 /nfs/dbraw/zinc/21/53/31/793215331.db2.gz RPXJSVZOVQZVBX-WDEREUQCSA-N 2 1 329.401 -1.743 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001151740467 793214433 /nfs/dbraw/zinc/21/44/33/793214433.db2.gz UERJONNVDVUSCX-KBPBESRZSA-N 2 1 342.440 -1.604 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001151740467 793214427 /nfs/dbraw/zinc/21/44/27/793214427.db2.gz UERJONNVDVUSCX-KBPBESRZSA-N 2 1 342.440 -1.604 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001151740468 793215265 /nfs/dbraw/zinc/21/52/65/793215265.db2.gz UERJONNVDVUSCX-UONOGXRCSA-N 2 1 342.440 -1.604 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001151740468 793215261 /nfs/dbraw/zinc/21/52/61/793215261.db2.gz UERJONNVDVUSCX-UONOGXRCSA-N 2 1 342.440 -1.604 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001151740653 793214348 /nfs/dbraw/zinc/21/43/48/793214348.db2.gz WNPPNQPWPNMEQC-GFCCVEGCSA-N 2 1 341.412 -1.645 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001151740653 793214344 /nfs/dbraw/zinc/21/43/44/793214344.db2.gz WNPPNQPWPNMEQC-GFCCVEGCSA-N 2 1 341.412 -1.645 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001151740654 793214191 /nfs/dbraw/zinc/21/41/91/793214191.db2.gz WNPPNQPWPNMEQC-LBPRGKRZSA-N 2 1 341.412 -1.645 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001151740654 793214184 /nfs/dbraw/zinc/21/41/84/793214184.db2.gz WNPPNQPWPNMEQC-LBPRGKRZSA-N 2 1 341.412 -1.645 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151740827 793215719 /nfs/dbraw/zinc/21/57/19/793215719.db2.gz YHCCWMPSWOXIRO-CYBMUJFWSA-N 2 1 348.469 -1.552 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151740827 793215710 /nfs/dbraw/zinc/21/57/10/793215710.db2.gz YHCCWMPSWOXIRO-CYBMUJFWSA-N 2 1 348.469 -1.552 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151740828 793214519 /nfs/dbraw/zinc/21/45/19/793214519.db2.gz YHCCWMPSWOXIRO-ZDUSSCGKSA-N 2 1 348.469 -1.552 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001151740828 793214514 /nfs/dbraw/zinc/21/45/14/793214514.db2.gz YHCCWMPSWOXIRO-ZDUSSCGKSA-N 2 1 348.469 -1.552 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001151740857 793215294 /nfs/dbraw/zinc/21/52/94/793215294.db2.gz YTLUBKDXIFQTCV-GFCCVEGCSA-N 2 1 336.458 -1.648 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001151740857 793215285 /nfs/dbraw/zinc/21/52/85/793215285.db2.gz YTLUBKDXIFQTCV-GFCCVEGCSA-N 2 1 336.458 -1.648 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001151740858 793215568 /nfs/dbraw/zinc/21/55/68/793215568.db2.gz YTLUBKDXIFQTCV-LBPRGKRZSA-N 2 1 336.458 -1.648 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001151740858 793215563 /nfs/dbraw/zinc/21/55/63/793215563.db2.gz YTLUBKDXIFQTCV-LBPRGKRZSA-N 2 1 336.458 -1.648 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151740917 793215936 /nfs/dbraw/zinc/21/59/36/793215936.db2.gz ZKOOIDOIIOAUAZ-KBPBESRZSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151740917 793215931 /nfs/dbraw/zinc/21/59/31/793215931.db2.gz ZKOOIDOIIOAUAZ-KBPBESRZSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151740918 793215113 /nfs/dbraw/zinc/21/51/13/793215113.db2.gz ZKOOIDOIIOAUAZ-KGLIPLIRSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151740918 793215105 /nfs/dbraw/zinc/21/51/05/793215105.db2.gz ZKOOIDOIIOAUAZ-KGLIPLIRSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151740919 793214896 /nfs/dbraw/zinc/21/48/96/793214896.db2.gz ZKOOIDOIIOAUAZ-UONOGXRCSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001151740919 793214893 /nfs/dbraw/zinc/21/48/93/793214893.db2.gz ZKOOIDOIIOAUAZ-UONOGXRCSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151740920 793215017 /nfs/dbraw/zinc/21/50/17/793215017.db2.gz ZKOOIDOIIOAUAZ-ZIAGYGMSSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001151740920 793215009 /nfs/dbraw/zinc/21/50/09/793215009.db2.gz ZKOOIDOIIOAUAZ-ZIAGYGMSSA-N 2 1 342.440 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151748009 790542858 /nfs/dbraw/zinc/54/28/58/790542858.db2.gz BXTSRUCSHCKTFS-CYBMUJFWSA-N 2 1 328.413 -1.728 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151748009 790542849 /nfs/dbraw/zinc/54/28/49/790542849.db2.gz BXTSRUCSHCKTFS-CYBMUJFWSA-N 2 1 328.413 -1.728 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151748010 790543687 /nfs/dbraw/zinc/54/36/87/790543687.db2.gz BXTSRUCSHCKTFS-ZDUSSCGKSA-N 2 1 328.413 -1.728 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001151748010 790543686 /nfs/dbraw/zinc/54/36/86/790543686.db2.gz BXTSRUCSHCKTFS-ZDUSSCGKSA-N 2 1 328.413 -1.728 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151748063 793214488 /nfs/dbraw/zinc/21/44/88/793214488.db2.gz DBQGAQSIFOQXAR-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151748063 793214485 /nfs/dbraw/zinc/21/44/85/793214485.db2.gz DBQGAQSIFOQXAR-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151748073 793216008 /nfs/dbraw/zinc/21/60/08/793216008.db2.gz DBQGAQSIFOQXAR-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151748073 793216003 /nfs/dbraw/zinc/21/60/03/793216003.db2.gz DBQGAQSIFOQXAR-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151748074 793215183 /nfs/dbraw/zinc/21/51/83/793215183.db2.gz DBQGAQSIFOQXAR-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001151748074 793215175 /nfs/dbraw/zinc/21/51/75/793215175.db2.gz DBQGAQSIFOQXAR-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151748357 793215671 /nfs/dbraw/zinc/21/56/71/793215671.db2.gz DBQGAQSIFOQXAR-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001151748357 793215665 /nfs/dbraw/zinc/21/56/65/793215665.db2.gz DBQGAQSIFOQXAR-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151748390 790542535 /nfs/dbraw/zinc/54/25/35/790542535.db2.gz DUSPDZDVTHBYBL-AWEZNQCLSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151748390 790542531 /nfs/dbraw/zinc/54/25/31/790542531.db2.gz DUSPDZDVTHBYBL-AWEZNQCLSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151748393 793215417 /nfs/dbraw/zinc/21/54/17/793215417.db2.gz DUSPDZDVTHBYBL-CQSZACIVSA-N 2 1 342.440 -1.292 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001151748393 793215410 /nfs/dbraw/zinc/21/54/10/793215410.db2.gz DUSPDZDVTHBYBL-CQSZACIVSA-N 2 1 342.440 -1.292 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748505 793214642 /nfs/dbraw/zinc/21/46/42/793214642.db2.gz FWQXFHSKXVHLLS-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748505 793214637 /nfs/dbraw/zinc/21/46/37/793214637.db2.gz FWQXFHSKXVHLLS-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748507 793214867 /nfs/dbraw/zinc/21/48/67/793214867.db2.gz FWQXFHSKXVHLLS-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748507 793214860 /nfs/dbraw/zinc/21/48/60/793214860.db2.gz FWQXFHSKXVHLLS-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748766 790542651 /nfs/dbraw/zinc/54/26/51/790542651.db2.gz LAZQMQBBHHUSNW-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748766 790542643 /nfs/dbraw/zinc/54/26/43/790542643.db2.gz LAZQMQBBHHUSNW-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748767 790542168 /nfs/dbraw/zinc/54/21/68/790542168.db2.gz LAZQMQBBHHUSNW-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748767 790542163 /nfs/dbraw/zinc/54/21/63/790542163.db2.gz LAZQMQBBHHUSNW-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151748768 790542076 /nfs/dbraw/zinc/54/20/76/790542076.db2.gz LAZQMQBBHHUSNW-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151748768 790542066 /nfs/dbraw/zinc/54/20/66/790542066.db2.gz LAZQMQBBHHUSNW-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151748851 790541750 /nfs/dbraw/zinc/54/17/50/790541750.db2.gz LAZQMQBBHHUSNW-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151748851 790541740 /nfs/dbraw/zinc/54/17/40/790541740.db2.gz LAZQMQBBHHUSNW-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001151748894 793214842 /nfs/dbraw/zinc/21/48/42/793214842.db2.gz LKYCGVOYCMHDEG-GFCCVEGCSA-N 2 1 341.412 -2.629 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001151748894 793214837 /nfs/dbraw/zinc/21/48/37/793214837.db2.gz LKYCGVOYCMHDEG-GFCCVEGCSA-N 2 1 341.412 -2.629 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001151748895 793215042 /nfs/dbraw/zinc/21/50/42/793215042.db2.gz LKYCGVOYCMHDEG-LBPRGKRZSA-N 2 1 341.412 -2.629 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001151748895 793215038 /nfs/dbraw/zinc/21/50/38/793215038.db2.gz LKYCGVOYCMHDEG-LBPRGKRZSA-N 2 1 341.412 -2.629 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151749225 793214764 /nfs/dbraw/zinc/21/47/64/793214764.db2.gz SJLMPEDBNZDIPX-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151749225 793214758 /nfs/dbraw/zinc/21/47/58/793214758.db2.gz SJLMPEDBNZDIPX-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151749226 793215150 /nfs/dbraw/zinc/21/51/50/793215150.db2.gz SJLMPEDBNZDIPX-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151749226 793215141 /nfs/dbraw/zinc/21/51/41/793215141.db2.gz SJLMPEDBNZDIPX-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001151749286 793218140 /nfs/dbraw/zinc/21/81/40/793218140.db2.gz UKFMAPFJYMAMGB-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001151749286 793218130 /nfs/dbraw/zinc/21/81/30/793218130.db2.gz UKFMAPFJYMAMGB-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001151749287 793216503 /nfs/dbraw/zinc/21/65/03/793216503.db2.gz UKFMAPFJYMAMGB-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001151749287 793216496 /nfs/dbraw/zinc/21/64/96/793216496.db2.gz UKFMAPFJYMAMGB-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151749434 790542422 /nfs/dbraw/zinc/54/24/22/790542422.db2.gz YDIQWKPNDKFVNM-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151749434 790542411 /nfs/dbraw/zinc/54/24/11/790542411.db2.gz YDIQWKPNDKFVNM-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151749435 790541704 /nfs/dbraw/zinc/54/17/04/790541704.db2.gz YDIQWKPNDKFVNM-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151749435 790541696 /nfs/dbraw/zinc/54/16/96/790541696.db2.gz YDIQWKPNDKFVNM-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151749451 793217062 /nfs/dbraw/zinc/21/70/62/793217062.db2.gz YOVMRZUHTUNUCD-GFCCVEGCSA-N 2 1 341.412 -1.599 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151749451 793217055 /nfs/dbraw/zinc/21/70/55/793217055.db2.gz YOVMRZUHTUNUCD-GFCCVEGCSA-N 2 1 341.412 -1.599 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151749452 793216809 /nfs/dbraw/zinc/21/68/09/793216809.db2.gz YOVMRZUHTUNUCD-LBPRGKRZSA-N 2 1 341.412 -1.599 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001151749452 793216803 /nfs/dbraw/zinc/21/68/03/793216803.db2.gz YOVMRZUHTUNUCD-LBPRGKRZSA-N 2 1 341.412 -1.599 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001151757057 793217450 /nfs/dbraw/zinc/21/74/50/793217450.db2.gz SHGPDDDGOKXTNL-KBPBESRZSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001151757057 793217444 /nfs/dbraw/zinc/21/74/44/793217444.db2.gz SHGPDDDGOKXTNL-KBPBESRZSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001151757058 793217574 /nfs/dbraw/zinc/21/75/74/793217574.db2.gz SHGPDDDGOKXTNL-KGLIPLIRSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001151757058 793217565 /nfs/dbraw/zinc/21/75/65/793217565.db2.gz SHGPDDDGOKXTNL-KGLIPLIRSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001151757059 793217530 /nfs/dbraw/zinc/21/75/30/793217530.db2.gz SHGPDDDGOKXTNL-UONOGXRCSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)C1 ZINC001151757059 793217523 /nfs/dbraw/zinc/21/75/23/793217523.db2.gz SHGPDDDGOKXTNL-UONOGXRCSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001151757060 793217131 /nfs/dbraw/zinc/21/71/31/793217131.db2.gz SHGPDDDGOKXTNL-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)C1 ZINC001151757060 793217130 /nfs/dbraw/zinc/21/71/30/793217130.db2.gz SHGPDDDGOKXTNL-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151757356 793218496 /nfs/dbraw/zinc/21/84/96/793218496.db2.gz XISIDHHABJOTAJ-KBPBESRZSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151757356 793218491 /nfs/dbraw/zinc/21/84/91/793218491.db2.gz XISIDHHABJOTAJ-KBPBESRZSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151757357 793217035 /nfs/dbraw/zinc/21/70/35/793217035.db2.gz XISIDHHABJOTAJ-KGLIPLIRSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151757357 793217030 /nfs/dbraw/zinc/21/70/30/793217030.db2.gz XISIDHHABJOTAJ-KGLIPLIRSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151757358 793217664 /nfs/dbraw/zinc/21/76/64/793217664.db2.gz XISIDHHABJOTAJ-UONOGXRCSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001151757358 793217657 /nfs/dbraw/zinc/21/76/57/793217657.db2.gz XISIDHHABJOTAJ-UONOGXRCSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151757359 793217730 /nfs/dbraw/zinc/21/77/30/793217730.db2.gz XISIDHHABJOTAJ-ZIAGYGMSSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001151757359 793217717 /nfs/dbraw/zinc/21/77/17/793217717.db2.gz XISIDHHABJOTAJ-ZIAGYGMSSA-N 2 1 325.413 -1.330 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151757387 793217306 /nfs/dbraw/zinc/21/73/06/793217306.db2.gz YDFGKXALDTWXPP-GFCCVEGCSA-N 2 1 326.397 -1.438 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151757387 793217300 /nfs/dbraw/zinc/21/73/00/793217300.db2.gz YDFGKXALDTWXPP-GFCCVEGCSA-N 2 1 326.397 -1.438 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151757388 793218169 /nfs/dbraw/zinc/21/81/69/793218169.db2.gz YDFGKXALDTWXPP-LBPRGKRZSA-N 2 1 326.397 -1.438 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001151757388 793218161 /nfs/dbraw/zinc/21/81/61/793218161.db2.gz YDFGKXALDTWXPP-LBPRGKRZSA-N 2 1 326.397 -1.438 20 0 EAADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152149173 790974016 /nfs/dbraw/zinc/97/40/16/790974016.db2.gz VXNDCDSHJUTNNP-BETUJISGSA-N 2 1 339.440 -1.477 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001152432515 793234999 /nfs/dbraw/zinc/23/49/99/793234999.db2.gz IZTIGBWWHNCVTH-GFCCVEGCSA-N 2 1 328.413 -1.458 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001152432516 791206404 /nfs/dbraw/zinc/20/64/04/791206404.db2.gz IZTIGBWWHNCVTH-LBPRGKRZSA-N 2 1 328.413 -1.458 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC(C(N)=O)CC1 ZINC001152433244 793233629 /nfs/dbraw/zinc/23/36/29/793233629.db2.gz ZIKBYNWYOMSMHI-UHFFFAOYSA-N 2 1 341.456 -1.244 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC001152444893 793233704 /nfs/dbraw/zinc/23/37/04/793233704.db2.gz AZUGOWLBACLSGA-UHFFFAOYSA-N 2 1 341.456 -1.229 20 0 EAADMP COC[C@@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152444910 793233737 /nfs/dbraw/zinc/23/37/37/793233737.db2.gz BISJQHBDYAMSNW-GFCCVEGCSA-N 2 1 345.444 -1.107 20 0 EAADMP COC[C@H](C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152444911 793233999 /nfs/dbraw/zinc/23/39/99/793233999.db2.gz BISJQHBDYAMSNW-LBPRGKRZSA-N 2 1 345.444 -1.107 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001152444945 793233924 /nfs/dbraw/zinc/23/39/24/793233924.db2.gz CUDVOFOGYFPDAW-UHFFFAOYSA-N 2 1 325.413 -1.370 20 0 EAADMP CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001152445695 793234039 /nfs/dbraw/zinc/23/40/39/793234039.db2.gz NAVQEORUSAERHJ-UHFFFAOYSA-N 2 1 341.456 -1.277 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001152445883 793234215 /nfs/dbraw/zinc/23/42/15/793234215.db2.gz QFTSHPJVOWHWNY-GFCCVEGCSA-N 2 1 329.445 -1.375 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001152445884 793234791 /nfs/dbraw/zinc/23/47/91/793234791.db2.gz QFTSHPJVOWHWNY-LBPRGKRZSA-N 2 1 329.445 -1.375 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001152446281 793233469 /nfs/dbraw/zinc/23/34/69/793233469.db2.gz WJIVTWVQHXMOGO-CYBMUJFWSA-N 2 1 341.456 -1.244 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001152446283 793233947 /nfs/dbraw/zinc/23/39/47/793233947.db2.gz WJIVTWVQHXMOGO-ZDUSSCGKSA-N 2 1 341.456 -1.244 20 0 EAADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152452225 793234603 /nfs/dbraw/zinc/23/46/03/793234603.db2.gz XCCYBCNPUVNQMH-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001152452226 793234476 /nfs/dbraw/zinc/23/44/76/793234476.db2.gz XCCYBCNPUVNQMH-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ncn2c1nnn(C)c2=O ZINC001152761891 793241405 /nfs/dbraw/zinc/24/14/05/793241405.db2.gz KGIRPNPSYNVKQT-UHFFFAOYSA-N 2 1 335.372 -1.500 20 0 EAADMP CS(=O)(=O)N(CC[NH3+])c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001154770902 793288258 /nfs/dbraw/zinc/28/82/58/793288258.db2.gz LCGOXHZCOSAYDB-UHFFFAOYSA-N 2 1 342.425 -1.359 20 0 EAADMP CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999732 793291183 /nfs/dbraw/zinc/29/11/83/793291183.db2.gz LQNUGNFLHHGYJE-CYBMUJFWSA-N 2 1 341.456 -1.277 20 0 EAADMP CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999732 793291172 /nfs/dbraw/zinc/29/11/72/793291172.db2.gz LQNUGNFLHHGYJE-CYBMUJFWSA-N 2 1 341.456 -1.277 20 0 EAADMP NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nn1 ZINC001155383262 793297853 /nfs/dbraw/zinc/29/78/53/793297853.db2.gz QTBDAVGARPVZLF-LLVKDONJSA-N 2 1 326.426 -1.017 20 0 EAADMP NS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nn1 ZINC001155383263 793297189 /nfs/dbraw/zinc/29/71/89/793297189.db2.gz QTBDAVGARPVZLF-NSHDSACASA-N 2 1 326.426 -1.017 20 0 EAADMP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)N1 ZINC001155574521 793298487 /nfs/dbraw/zinc/29/84/87/793298487.db2.gz IEMGHGFJHUVXTN-BLLLJJGKSA-N 2 1 345.407 -1.094 20 0 EAADMP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)N1 ZINC001155574522 793299360 /nfs/dbraw/zinc/29/93/60/793299360.db2.gz IEMGHGFJHUVXTN-LRDDRELGSA-N 2 1 345.407 -1.094 20 0 EAADMP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)N1 ZINC001155574523 793299430 /nfs/dbraw/zinc/29/94/30/793299430.db2.gz IEMGHGFJHUVXTN-MLGOLLRUSA-N 2 1 345.407 -1.094 20 0 EAADMP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)N1 ZINC001155574524 793299577 /nfs/dbraw/zinc/29/95/77/793299577.db2.gz IEMGHGFJHUVXTN-WBMJQRKESA-N 2 1 345.407 -1.094 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155789489 793302657 /nfs/dbraw/zinc/30/26/57/793302657.db2.gz DDJZGWHIVFFIRA-GFCCVEGCSA-N 2 1 325.413 -1.865 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001155789494 793303747 /nfs/dbraw/zinc/30/37/47/793303747.db2.gz DDJZGWHIVFFIRA-LBPRGKRZSA-N 2 1 325.413 -1.865 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155802901 793303101 /nfs/dbraw/zinc/30/31/01/793303101.db2.gz QAYDMEMUWBTCFW-CHWSQXEVSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155802902 793302462 /nfs/dbraw/zinc/30/24/62/793302462.db2.gz QAYDMEMUWBTCFW-OLZOCXBDSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155802903 793302310 /nfs/dbraw/zinc/30/23/10/793302310.db2.gz QAYDMEMUWBTCFW-QWHCGFSZSA-N 2 1 341.456 -1.231 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001155802904 793303174 /nfs/dbraw/zinc/30/31/74/793303174.db2.gz QAYDMEMUWBTCFW-STQMWFEESA-N 2 1 341.456 -1.231 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001155810459 793303832 /nfs/dbraw/zinc/30/38/32/793303832.db2.gz BCANDBUCGODERK-CHWSQXEVSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001155810460 793302896 /nfs/dbraw/zinc/30/28/96/793302896.db2.gz BCANDBUCGODERK-OLZOCXBDSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001155810461 793303341 /nfs/dbraw/zinc/30/33/41/793303341.db2.gz BCANDBUCGODERK-QWHCGFSZSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001155810462 793302961 /nfs/dbraw/zinc/30/29/61/793302961.db2.gz BCANDBUCGODERK-STQMWFEESA-N 2 1 340.424 -1.314 20 0 EAADMP Cn1c(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)cc(=O)n(C)c1=O ZINC001155822335 793302222 /nfs/dbraw/zinc/30/22/22/793302222.db2.gz NZAPUIPSAMETOP-CYBMUJFWSA-N 2 1 337.424 -1.226 20 0 EAADMP Cn1c(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)cc(=O)n(C)c1=O ZINC001155822336 793302752 /nfs/dbraw/zinc/30/27/52/793302752.db2.gz NZAPUIPSAMETOP-ZDUSSCGKSA-N 2 1 337.424 -1.226 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156124906 793309984 /nfs/dbraw/zinc/30/99/84/793309984.db2.gz BIIHYJMLXKUKPY-KBPBESRZSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156124906 793309973 /nfs/dbraw/zinc/30/99/73/793309973.db2.gz BIIHYJMLXKUKPY-KBPBESRZSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156124907 793309382 /nfs/dbraw/zinc/30/93/82/793309382.db2.gz BIIHYJMLXKUKPY-KGLIPLIRSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156124907 793309375 /nfs/dbraw/zinc/30/93/75/793309375.db2.gz BIIHYJMLXKUKPY-KGLIPLIRSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156124908 793310498 /nfs/dbraw/zinc/31/04/98/793310498.db2.gz BIIHYJMLXKUKPY-UONOGXRCSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156124908 793310486 /nfs/dbraw/zinc/31/04/86/793310486.db2.gz BIIHYJMLXKUKPY-UONOGXRCSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156124909 793310065 /nfs/dbraw/zinc/31/00/65/793310065.db2.gz BIIHYJMLXKUKPY-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156124909 793310057 /nfs/dbraw/zinc/31/00/57/793310057.db2.gz BIIHYJMLXKUKPY-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001156125132 793309354 /nfs/dbraw/zinc/30/93/54/793309354.db2.gz IMRKRAMVAMMQEP-KBPBESRZSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001156125132 793309346 /nfs/dbraw/zinc/30/93/46/793309346.db2.gz IMRKRAMVAMMQEP-KBPBESRZSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001156125133 793310455 /nfs/dbraw/zinc/31/04/55/793310455.db2.gz IMRKRAMVAMMQEP-KGLIPLIRSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001156125133 793310449 /nfs/dbraw/zinc/31/04/49/793310449.db2.gz IMRKRAMVAMMQEP-KGLIPLIRSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001156125134 793309859 /nfs/dbraw/zinc/30/98/59/793309859.db2.gz IMRKRAMVAMMQEP-UONOGXRCSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001156125134 793309849 /nfs/dbraw/zinc/30/98/49/793309849.db2.gz IMRKRAMVAMMQEP-UONOGXRCSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001156125135 793308237 /nfs/dbraw/zinc/30/82/37/793308237.db2.gz IMRKRAMVAMMQEP-ZIAGYGMSSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001156125135 793308228 /nfs/dbraw/zinc/30/82/28/793308228.db2.gz IMRKRAMVAMMQEP-ZIAGYGMSSA-N 2 1 342.440 -1.434 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001156125150 793309777 /nfs/dbraw/zinc/30/97/77/793309777.db2.gz IWDZQRYJMPOHAM-KBPBESRZSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001156125150 793309766 /nfs/dbraw/zinc/30/97/66/793309766.db2.gz IWDZQRYJMPOHAM-KBPBESRZSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001156125151 793308403 /nfs/dbraw/zinc/30/84/03/793308403.db2.gz IWDZQRYJMPOHAM-KGLIPLIRSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001156125151 793308394 /nfs/dbraw/zinc/30/83/94/793308394.db2.gz IWDZQRYJMPOHAM-KGLIPLIRSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001156125152 793308120 /nfs/dbraw/zinc/30/81/20/793308120.db2.gz IWDZQRYJMPOHAM-UONOGXRCSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001156125152 793308118 /nfs/dbraw/zinc/30/81/18/793308118.db2.gz IWDZQRYJMPOHAM-UONOGXRCSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001156125153 793310549 /nfs/dbraw/zinc/31/05/49/793310549.db2.gz IWDZQRYJMPOHAM-ZIAGYGMSSA-N 2 1 325.413 -1.330 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001156125153 793310539 /nfs/dbraw/zinc/31/05/39/793310539.db2.gz IWDZQRYJMPOHAM-ZIAGYGMSSA-N 2 1 325.413 -1.330 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001156125496 793309210 /nfs/dbraw/zinc/30/92/10/793309210.db2.gz NJHLZWPHJQBKDB-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001156125496 793309206 /nfs/dbraw/zinc/30/92/06/793309206.db2.gz NJHLZWPHJQBKDB-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC001156125497 793308998 /nfs/dbraw/zinc/30/89/98/793308998.db2.gz NJHLZWPHJQBKDB-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC001156125497 793308985 /nfs/dbraw/zinc/30/89/85/793308985.db2.gz NJHLZWPHJQBKDB-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001156125498 793310423 /nfs/dbraw/zinc/31/04/23/793310423.db2.gz NJHLZWPHJQBKDB-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001156125498 793310412 /nfs/dbraw/zinc/31/04/12/793310412.db2.gz NJHLZWPHJQBKDB-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC001156125499 793310010 /nfs/dbraw/zinc/31/00/10/793310010.db2.gz NJHLZWPHJQBKDB-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)CCO1 ZINC001156125499 793310001 /nfs/dbraw/zinc/31/00/01/793310001.db2.gz NJHLZWPHJQBKDB-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001156125861 793308537 /nfs/dbraw/zinc/30/85/37/793308537.db2.gz PWFGXKBXGSIZRK-GFCCVEGCSA-N 2 1 341.412 -1.645 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001156125861 793308527 /nfs/dbraw/zinc/30/85/27/793308527.db2.gz PWFGXKBXGSIZRK-GFCCVEGCSA-N 2 1 341.412 -1.645 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001156125867 793309561 /nfs/dbraw/zinc/30/95/61/793309561.db2.gz PWFGXKBXGSIZRK-LBPRGKRZSA-N 2 1 341.412 -1.645 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001156125867 793309559 /nfs/dbraw/zinc/30/95/59/793309559.db2.gz PWFGXKBXGSIZRK-LBPRGKRZSA-N 2 1 341.412 -1.645 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156126192 793309589 /nfs/dbraw/zinc/30/95/89/793309589.db2.gz UBSOXBYQBHCSSN-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156126192 793309581 /nfs/dbraw/zinc/30/95/81/793309581.db2.gz UBSOXBYQBHCSSN-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156126194 793309925 /nfs/dbraw/zinc/30/99/25/793309925.db2.gz UBSOXBYQBHCSSN-MNOVXSKESA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156126194 793309915 /nfs/dbraw/zinc/30/99/15/793309915.db2.gz UBSOXBYQBHCSSN-MNOVXSKESA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156126196 793309039 /nfs/dbraw/zinc/30/90/39/793309039.db2.gz UBSOXBYQBHCSSN-QWRGUYRKSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156126196 793309032 /nfs/dbraw/zinc/30/90/32/793309032.db2.gz UBSOXBYQBHCSSN-QWRGUYRKSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156126197 793308212 /nfs/dbraw/zinc/30/82/12/793308212.db2.gz UBSOXBYQBHCSSN-WDEREUQCSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156126197 793308188 /nfs/dbraw/zinc/30/81/88/793308188.db2.gz UBSOXBYQBHCSSN-WDEREUQCSA-N 2 1 329.401 -1.743 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001156126320 793308682 /nfs/dbraw/zinc/30/86/82/793308682.db2.gz VKZGQDUNAGMQQK-LLVKDONJSA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001156126320 793308675 /nfs/dbraw/zinc/30/86/75/793308675.db2.gz VKZGQDUNAGMQQK-LLVKDONJSA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001156126321 793308610 /nfs/dbraw/zinc/30/86/10/793308610.db2.gz VKZGQDUNAGMQQK-NSHDSACASA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001156126321 793308599 /nfs/dbraw/zinc/30/85/99/793308599.db2.gz VKZGQDUNAGMQQK-NSHDSACASA-N 2 1 327.385 -2.035 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001156126331 793308336 /nfs/dbraw/zinc/30/83/36/793308336.db2.gz VQNMUCQVRHEDLJ-GFCCVEGCSA-N 2 1 326.397 -1.438 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001156126331 793308322 /nfs/dbraw/zinc/30/83/22/793308322.db2.gz VQNMUCQVRHEDLJ-GFCCVEGCSA-N 2 1 326.397 -1.438 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001156126332 793308467 /nfs/dbraw/zinc/30/84/67/793308467.db2.gz VQNMUCQVRHEDLJ-LBPRGKRZSA-N 2 1 326.397 -1.438 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001156126332 793308458 /nfs/dbraw/zinc/30/84/58/793308458.db2.gz VQNMUCQVRHEDLJ-LBPRGKRZSA-N 2 1 326.397 -1.438 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156126370 793308876 /nfs/dbraw/zinc/30/88/76/793308876.db2.gz XFICFYFWTXXBJA-GFCCVEGCSA-N 2 1 336.458 -1.648 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156126370 793308867 /nfs/dbraw/zinc/30/88/67/793308867.db2.gz XFICFYFWTXXBJA-GFCCVEGCSA-N 2 1 336.458 -1.648 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156126371 793310203 /nfs/dbraw/zinc/31/02/03/793310203.db2.gz XFICFYFWTXXBJA-LBPRGKRZSA-N 2 1 336.458 -1.648 20 0 EAADMP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156126371 793310192 /nfs/dbraw/zinc/31/01/92/793310192.db2.gz XFICFYFWTXXBJA-LBPRGKRZSA-N 2 1 336.458 -1.648 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144146 793308640 /nfs/dbraw/zinc/30/86/40/793308640.db2.gz AHPKTKNRONZJJU-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144146 793308631 /nfs/dbraw/zinc/30/86/31/793308631.db2.gz AHPKTKNRONZJJU-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144147 793308749 /nfs/dbraw/zinc/30/87/49/793308749.db2.gz AHPKTKNRONZJJU-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144147 793308735 /nfs/dbraw/zinc/30/87/35/793308735.db2.gz AHPKTKNRONZJJU-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144148 793309687 /nfs/dbraw/zinc/30/96/87/793309687.db2.gz AHPKTKNRONZJJU-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144148 793309681 /nfs/dbraw/zinc/30/96/81/793309681.db2.gz AHPKTKNRONZJJU-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144149 793308363 /nfs/dbraw/zinc/30/83/63/793308363.db2.gz AHPKTKNRONZJJU-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144149 793308355 /nfs/dbraw/zinc/30/83/55/793308355.db2.gz AHPKTKNRONZJJU-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144221 793309269 /nfs/dbraw/zinc/30/92/69/793309269.db2.gz BRZYNSWVVXVYFA-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144221 793309262 /nfs/dbraw/zinc/30/92/62/793309262.db2.gz BRZYNSWVVXVYFA-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144222 793309291 /nfs/dbraw/zinc/30/92/91/793309291.db2.gz BRZYNSWVVXVYFA-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144222 793309282 /nfs/dbraw/zinc/30/92/82/793309282.db2.gz BRZYNSWVVXVYFA-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001156144504 793309953 /nfs/dbraw/zinc/30/99/53/793309953.db2.gz DLAMJYWMQQRUQE-AWEZNQCLSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001156144504 793309942 /nfs/dbraw/zinc/30/99/42/793309942.db2.gz DLAMJYWMQQRUQE-AWEZNQCLSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001156144505 793308260 /nfs/dbraw/zinc/30/82/60/793308260.db2.gz DLAMJYWMQQRUQE-CQSZACIVSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001156144505 793308253 /nfs/dbraw/zinc/30/82/53/793308253.db2.gz DLAMJYWMQQRUQE-CQSZACIVSA-N 2 1 342.440 -1.292 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144907 793310241 /nfs/dbraw/zinc/31/02/41/793310241.db2.gz GZGGJVXVSRDAOD-KBPBESRZSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144907 793310231 /nfs/dbraw/zinc/31/02/31/793310231.db2.gz GZGGJVXVSRDAOD-KBPBESRZSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144909 793308282 /nfs/dbraw/zinc/30/82/82/793308282.db2.gz GZGGJVXVSRDAOD-KGLIPLIRSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144909 793308275 /nfs/dbraw/zinc/30/82/75/793308275.db2.gz GZGGJVXVSRDAOD-KGLIPLIRSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144910 793309410 /nfs/dbraw/zinc/30/94/10/793309410.db2.gz GZGGJVXVSRDAOD-UONOGXRCSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144910 793309402 /nfs/dbraw/zinc/30/94/02/793309402.db2.gz GZGGJVXVSRDAOD-UONOGXRCSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144911 793308143 /nfs/dbraw/zinc/30/81/43/793308143.db2.gz GZGGJVXVSRDAOD-ZIAGYGMSSA-N 2 1 333.429 -1.563 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144911 793308135 /nfs/dbraw/zinc/30/81/35/793308135.db2.gz GZGGJVXVSRDAOD-ZIAGYGMSSA-N 2 1 333.429 -1.563 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001156145061 793309243 /nfs/dbraw/zinc/30/92/43/793309243.db2.gz HVSQCRDYKBTEOW-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001156145061 793309233 /nfs/dbraw/zinc/30/92/33/793309233.db2.gz HVSQCRDYKBTEOW-CHWSQXEVSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001156145062 793310391 /nfs/dbraw/zinc/31/03/91/793310391.db2.gz HVSQCRDYKBTEOW-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001156145062 793310387 /nfs/dbraw/zinc/31/03/87/793310387.db2.gz HVSQCRDYKBTEOW-OLZOCXBDSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001156145064 786472774 /nfs/dbraw/zinc/47/27/74/786472774.db2.gz HVSQCRDYKBTEOW-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001156145064 786472768 /nfs/dbraw/zinc/47/27/68/786472768.db2.gz HVSQCRDYKBTEOW-QWHCGFSZSA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001156145070 786471668 /nfs/dbraw/zinc/47/16/68/786471668.db2.gz HVSQCRDYKBTEOW-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001156145070 786471664 /nfs/dbraw/zinc/47/16/64/786471664.db2.gz HVSQCRDYKBTEOW-STQMWFEESA-N 2 1 333.454 -1.152 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156145199 793308965 /nfs/dbraw/zinc/30/89/65/793308965.db2.gz KAWOIWIYYZRIEZ-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156145199 793308952 /nfs/dbraw/zinc/30/89/52/793308952.db2.gz KAWOIWIYYZRIEZ-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156145200 793308172 /nfs/dbraw/zinc/30/81/72/793308172.db2.gz KAWOIWIYYZRIEZ-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156145200 793308167 /nfs/dbraw/zinc/30/81/67/793308167.db2.gz KAWOIWIYYZRIEZ-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001156145444 793308908 /nfs/dbraw/zinc/30/89/08/793308908.db2.gz KRHLVUVCMCBOEM-GFCCVEGCSA-N 2 1 341.412 -1.599 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001156145444 793308897 /nfs/dbraw/zinc/30/88/97/793308897.db2.gz KRHLVUVCMCBOEM-GFCCVEGCSA-N 2 1 341.412 -1.599 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001156145445 793308938 /nfs/dbraw/zinc/30/89/38/793308938.db2.gz KRHLVUVCMCBOEM-LBPRGKRZSA-N 2 1 341.412 -1.599 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001156145445 793308927 /nfs/dbraw/zinc/30/89/27/793308927.db2.gz KRHLVUVCMCBOEM-LBPRGKRZSA-N 2 1 341.412 -1.599 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001156145466 793310163 /nfs/dbraw/zinc/31/01/63/793310163.db2.gz LFDHULNREJGDMS-JTQLQIEISA-N 2 1 342.425 -1.097 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001156145466 793310155 /nfs/dbraw/zinc/31/01/55/793310155.db2.gz LFDHULNREJGDMS-JTQLQIEISA-N 2 1 342.425 -1.097 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001156145467 793310104 /nfs/dbraw/zinc/31/01/04/793310104.db2.gz LFDHULNREJGDMS-SNVBAGLBSA-N 2 1 342.425 -1.097 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001156145467 793310097 /nfs/dbraw/zinc/31/00/97/793310097.db2.gz LFDHULNREJGDMS-SNVBAGLBSA-N 2 1 342.425 -1.097 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001156145534 793309527 /nfs/dbraw/zinc/30/95/27/793309527.db2.gz NBSAFYGNFGEVHR-GFCCVEGCSA-N 2 1 336.396 -1.158 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001156145534 793309517 /nfs/dbraw/zinc/30/95/17/793309517.db2.gz NBSAFYGNFGEVHR-GFCCVEGCSA-N 2 1 336.396 -1.158 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001156145535 793308817 /nfs/dbraw/zinc/30/88/17/793308817.db2.gz NBSAFYGNFGEVHR-LBPRGKRZSA-N 2 1 336.396 -1.158 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001156145535 793308807 /nfs/dbraw/zinc/30/88/07/793308807.db2.gz NBSAFYGNFGEVHR-LBPRGKRZSA-N 2 1 336.396 -1.158 20 0 EAADMP CN(CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)S(C)(=O)=O ZINC001156145703 786472602 /nfs/dbraw/zinc/47/26/02/786472602.db2.gz OCDLJWINUVODJM-GFCCVEGCSA-N 2 1 336.458 -1.696 20 0 EAADMP CN(CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1)S(C)(=O)=O ZINC001156145703 786472600 /nfs/dbraw/zinc/47/26/00/786472600.db2.gz OCDLJWINUVODJM-GFCCVEGCSA-N 2 1 336.458 -1.696 20 0 EAADMP CN(CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)S(C)(=O)=O ZINC001156145710 786472335 /nfs/dbraw/zinc/47/23/35/786472335.db2.gz OCDLJWINUVODJM-LBPRGKRZSA-N 2 1 336.458 -1.696 20 0 EAADMP CN(CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)S(C)(=O)=O ZINC001156145710 786472328 /nfs/dbraw/zinc/47/23/28/786472328.db2.gz OCDLJWINUVODJM-LBPRGKRZSA-N 2 1 336.458 -1.696 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001156145989 793310363 /nfs/dbraw/zinc/31/03/63/793310363.db2.gz ROTPEQBPXCQTDF-CYBMUJFWSA-N 2 1 328.413 -1.728 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001156145989 793310355 /nfs/dbraw/zinc/31/03/55/793310355.db2.gz ROTPEQBPXCQTDF-CYBMUJFWSA-N 2 1 328.413 -1.728 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001156145993 793310273 /nfs/dbraw/zinc/31/02/73/793310273.db2.gz ROTPEQBPXCQTDF-ZDUSSCGKSA-N 2 1 328.413 -1.728 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001156145993 793310265 /nfs/dbraw/zinc/31/02/65/793310265.db2.gz ROTPEQBPXCQTDF-ZDUSSCGKSA-N 2 1 328.413 -1.728 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146028 793310527 /nfs/dbraw/zinc/31/05/27/793310527.db2.gz SJCGJQIBLLDOKQ-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146028 793310519 /nfs/dbraw/zinc/31/05/19/793310519.db2.gz SJCGJQIBLLDOKQ-CYBMUJFWSA-N 2 1 330.429 -1.434 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146029 793309077 /nfs/dbraw/zinc/30/90/77/793309077.db2.gz SJCGJQIBLLDOKQ-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146029 793309072 /nfs/dbraw/zinc/30/90/72/793309072.db2.gz SJCGJQIBLLDOKQ-ZDUSSCGKSA-N 2 1 330.429 -1.434 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001156146178 793308493 /nfs/dbraw/zinc/30/84/93/793308493.db2.gz VBLUZABCNQOYQU-GFCCVEGCSA-N 2 1 341.412 -2.629 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001156146178 793308485 /nfs/dbraw/zinc/30/84/85/793308485.db2.gz VBLUZABCNQOYQU-GFCCVEGCSA-N 2 1 341.412 -2.629 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001156146179 793310142 /nfs/dbraw/zinc/31/01/42/793310142.db2.gz VBLUZABCNQOYQU-LBPRGKRZSA-N 2 1 341.412 -2.629 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001156146179 793310128 /nfs/dbraw/zinc/31/01/28/793310128.db2.gz VBLUZABCNQOYQU-LBPRGKRZSA-N 2 1 341.412 -2.629 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001156146300 793309896 /nfs/dbraw/zinc/30/98/96/793309896.db2.gz VOLUTLAWABKEAI-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001156146300 793309882 /nfs/dbraw/zinc/30/98/82/793309882.db2.gz VOLUTLAWABKEAI-KBPBESRZSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001156146301 793308094 /nfs/dbraw/zinc/30/80/94/793308094.db2.gz VOLUTLAWABKEAI-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001156146301 793308082 /nfs/dbraw/zinc/30/80/82/793308082.db2.gz VOLUTLAWABKEAI-KGLIPLIRSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001156146302 793308779 /nfs/dbraw/zinc/30/87/79/793308779.db2.gz VOLUTLAWABKEAI-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001156146302 793308769 /nfs/dbraw/zinc/30/87/69/793308769.db2.gz VOLUTLAWABKEAI-UONOGXRCSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001156146303 793309192 /nfs/dbraw/zinc/30/91/92/793309192.db2.gz VOLUTLAWABKEAI-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001156146303 793309184 /nfs/dbraw/zinc/30/91/84/793309184.db2.gz VOLUTLAWABKEAI-ZIAGYGMSSA-N 2 1 342.440 -1.292 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001156146318 793309169 /nfs/dbraw/zinc/30/91/69/793309169.db2.gz WEQYPFHNBCDORC-CYBMUJFWSA-N 2 1 348.469 -1.552 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001156146318 793309162 /nfs/dbraw/zinc/30/91/62/793309162.db2.gz WEQYPFHNBCDORC-CYBMUJFWSA-N 2 1 348.469 -1.552 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001156146319 793308567 /nfs/dbraw/zinc/30/85/67/793308567.db2.gz WEQYPFHNBCDORC-ZDUSSCGKSA-N 2 1 348.469 -1.552 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001156146319 793308557 /nfs/dbraw/zinc/30/85/57/793308557.db2.gz WEQYPFHNBCDORC-ZDUSSCGKSA-N 2 1 348.469 -1.552 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146330 793310301 /nfs/dbraw/zinc/31/03/01/793310301.db2.gz WJQJOKFGJVASIK-AWEZNQCLSA-N 2 1 330.429 -1.434 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146330 793310293 /nfs/dbraw/zinc/31/02/93/793310293.db2.gz WJQJOKFGJVASIK-AWEZNQCLSA-N 2 1 330.429 -1.434 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146331 793309726 /nfs/dbraw/zinc/30/97/26/793309726.db2.gz WJQJOKFGJVASIK-CQSZACIVSA-N 2 1 330.429 -1.434 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146331 793309715 /nfs/dbraw/zinc/30/97/15/793309715.db2.gz WJQJOKFGJVASIK-CQSZACIVSA-N 2 1 330.429 -1.434 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001156146374 793309137 /nfs/dbraw/zinc/30/91/37/793309137.db2.gz XDUUVFVJSMXHAT-KBPBESRZSA-N 2 1 342.440 -1.604 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001156146374 793309128 /nfs/dbraw/zinc/30/91/28/793309128.db2.gz XDUUVFVJSMXHAT-KBPBESRZSA-N 2 1 342.440 -1.604 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001156146375 793310958 /nfs/dbraw/zinc/31/09/58/793310958.db2.gz XDUUVFVJSMXHAT-UONOGXRCSA-N 2 1 342.440 -1.604 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001156146375 793310950 /nfs/dbraw/zinc/31/09/50/793310950.db2.gz XDUUVFVJSMXHAT-UONOGXRCSA-N 2 1 342.440 -1.604 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156146379 793311837 /nfs/dbraw/zinc/31/18/37/793311837.db2.gz XNSMGIQVSJKZLA-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156146379 793311830 /nfs/dbraw/zinc/31/18/30/793311830.db2.gz XNSMGIQVSJKZLA-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156146380 793311594 /nfs/dbraw/zinc/31/15/94/793311594.db2.gz XNSMGIQVSJKZLA-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156146380 793311586 /nfs/dbraw/zinc/31/15/86/793311586.db2.gz XNSMGIQVSJKZLA-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP CN(c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2)S(=O)(=O)CC[NH3+] ZINC001156239212 793311734 /nfs/dbraw/zinc/31/17/34/793311734.db2.gz RZSNMOOWKLLTBK-UHFFFAOYSA-N 2 1 342.425 -1.359 20 0 EAADMP CC[N@@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390032 793312758 /nfs/dbraw/zinc/31/27/58/793312758.db2.gz DSMHEWOBPBWOEJ-LLVKDONJSA-N 2 1 331.417 -1.414 20 0 EAADMP CC[N@H+](CC(=O)NC(N)=O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390032 793312751 /nfs/dbraw/zinc/31/27/51/793312751.db2.gz DSMHEWOBPBWOEJ-LLVKDONJSA-N 2 1 331.417 -1.414 20 0 EAADMP CC[N@@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390768 793312790 /nfs/dbraw/zinc/31/27/90/793312790.db2.gz VTHOUBBLJXFRPA-GFCCVEGCSA-N 2 1 345.444 -1.153 20 0 EAADMP CC[N@H+](CC(=O)NC(=O)NC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390768 793312783 /nfs/dbraw/zinc/31/27/83/793312783.db2.gz VTHOUBBLJXFRPA-GFCCVEGCSA-N 2 1 345.444 -1.153 20 0 EAADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[NH2+]CCC[NH3+] ZINC001157303729 793329218 /nfs/dbraw/zinc/32/92/18/793329218.db2.gz LUCFSDXMUGCQAO-ZDUSSCGKSA-N 2 1 335.408 -1.746 20 0 EAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001157337509 793330810 /nfs/dbraw/zinc/33/08/10/793330810.db2.gz WSGCRRBQMZKTGC-RYUDHWBXSA-N 2 1 328.413 -1.159 20 0 EAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001157337509 793330799 /nfs/dbraw/zinc/33/07/99/793330799.db2.gz WSGCRRBQMZKTGC-RYUDHWBXSA-N 2 1 328.413 -1.159 20 0 EAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157344231 793331285 /nfs/dbraw/zinc/33/12/85/793331285.db2.gz HVWIXOHWXVLJQF-OLZOCXBDSA-N 3 1 328.461 -1.903 20 0 EAADMP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157344236 793330770 /nfs/dbraw/zinc/33/07/70/793330770.db2.gz HVWIXOHWXVLJQF-STQMWFEESA-N 3 1 328.461 -1.903 20 0 EAADMP C[NH+]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001157451598 793335008 /nfs/dbraw/zinc/33/50/08/793335008.db2.gz ZEOUGANFNQMYKW-UHFFFAOYSA-N 2 1 328.373 -3.932 20 0 EAADMP C1[NH2+][C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]12 ZINC001157619944 793338172 /nfs/dbraw/zinc/33/81/72/793338172.db2.gz SVSFOVIMHVVUJN-QWHCGFSZSA-N 2 1 347.423 -1.047 20 0 EAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001157716939 793339964 /nfs/dbraw/zinc/33/99/64/793339964.db2.gz UNNZCYWOFOHQKE-KBPBESRZSA-N 2 1 326.441 -1.114 20 0 EAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716939 793339954 /nfs/dbraw/zinc/33/99/54/793339954.db2.gz UNNZCYWOFOHQKE-KBPBESRZSA-N 3 1 326.441 -1.114 20 0 EAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001157716940 793339469 /nfs/dbraw/zinc/33/94/69/793339469.db2.gz UNNZCYWOFOHQKE-KGLIPLIRSA-N 2 1 326.441 -1.114 20 0 EAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716940 793339464 /nfs/dbraw/zinc/33/94/64/793339464.db2.gz UNNZCYWOFOHQKE-KGLIPLIRSA-N 3 1 326.441 -1.114 20 0 EAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001157716941 793339444 /nfs/dbraw/zinc/33/94/44/793339444.db2.gz UNNZCYWOFOHQKE-UONOGXRCSA-N 2 1 326.441 -1.114 20 0 EAADMP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716941 793339436 /nfs/dbraw/zinc/33/94/36/793339436.db2.gz UNNZCYWOFOHQKE-UONOGXRCSA-N 3 1 326.441 -1.114 20 0 EAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001157716942 793338838 /nfs/dbraw/zinc/33/88/38/793338838.db2.gz UNNZCYWOFOHQKE-ZIAGYGMSSA-N 2 1 326.441 -1.114 20 0 EAADMP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001157716942 793338829 /nfs/dbraw/zinc/33/88/29/793338829.db2.gz UNNZCYWOFOHQKE-ZIAGYGMSSA-N 3 1 326.441 -1.114 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076611 793349958 /nfs/dbraw/zinc/34/99/58/793349958.db2.gz LQBQMFDFVVRWKH-AWEZNQCLSA-N 2 1 325.457 -1.282 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076612 793350207 /nfs/dbraw/zinc/35/02/07/793350207.db2.gz LQBQMFDFVVRWKH-CQSZACIVSA-N 2 1 325.457 -1.282 20 0 EAADMP O=C([C@@H]1C[NH2+]Cc2ccnn21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110353 793349225 /nfs/dbraw/zinc/34/92/25/793349225.db2.gz GNMJNLYKCLCBFD-BLLLJJGKSA-N 2 1 330.392 -1.535 20 0 EAADMP O=C([C@@H]1C[NH2+]Cc2ccnn21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110356 793349320 /nfs/dbraw/zinc/34/93/20/793349320.db2.gz GNMJNLYKCLCBFD-LRDDRELGSA-N 2 1 330.392 -1.535 20 0 EAADMP O=C([C@H]1C[NH2+]Cc2ccnn21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110358 793348831 /nfs/dbraw/zinc/34/88/31/793348831.db2.gz GNMJNLYKCLCBFD-MLGOLLRUSA-N 2 1 330.392 -1.535 20 0 EAADMP O=C([C@H]1C[NH2+]Cc2ccnn21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110360 793349676 /nfs/dbraw/zinc/34/96/76/793349676.db2.gz GNMJNLYKCLCBFD-WBMJQRKESA-N 2 1 330.392 -1.535 20 0 EAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119274 793351801 /nfs/dbraw/zinc/35/18/01/793351801.db2.gz HSXHFMUDVSGBCP-HNNXBMFYSA-N 2 1 331.380 -2.067 20 0 EAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119276 793351422 /nfs/dbraw/zinc/35/14/22/793351422.db2.gz HSXHFMUDVSGBCP-OAHLLOKOSA-N 2 1 331.380 -2.067 20 0 EAADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158120175 793350738 /nfs/dbraw/zinc/35/07/38/793350738.db2.gz JZBJOKYDUJTYQS-ACJLOTCBSA-N 2 1 349.479 -1.003 20 0 EAADMP CC(C)(C)[N@H+]1CCN[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158120176 793351247 /nfs/dbraw/zinc/35/12/47/793351247.db2.gz JZBJOKYDUJTYQS-FZKQIMNGSA-N 2 1 349.479 -1.003 20 0 EAADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1 ZINC001158120177 793351540 /nfs/dbraw/zinc/35/15/40/793351540.db2.gz JZBJOKYDUJTYQS-SCLBCKFNSA-N 2 1 349.479 -1.003 20 0 EAADMP CC(C)(C)[N@H+]1CCN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1 ZINC001158120178 793350619 /nfs/dbraw/zinc/35/06/19/793350619.db2.gz JZBJOKYDUJTYQS-UGSOOPFHSA-N 2 1 349.479 -1.003 20 0 EAADMP O=C(c1cc2n(n1)CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120593 793351811 /nfs/dbraw/zinc/35/18/11/793351811.db2.gz RDIVQEIZMPMDMB-INIZCTEOSA-N 2 1 330.392 -1.462 20 0 EAADMP O=C(c1cc2n(n1)CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120595 793350925 /nfs/dbraw/zinc/35/09/25/793350925.db2.gz RDIVQEIZMPMDMB-MRXNPFEDSA-N 2 1 330.392 -1.462 20 0 EAADMP O=C(c1cnn2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121379 793351782 /nfs/dbraw/zinc/35/17/82/793351782.db2.gz ZIIAUWJWHMYKOM-INIZCTEOSA-N 2 1 330.392 -1.462 20 0 EAADMP O=C(c1cnn2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121381 793351502 /nfs/dbraw/zinc/35/15/02/793351502.db2.gz ZIIAUWJWHMYKOM-MRXNPFEDSA-N 2 1 330.392 -1.462 20 0 EAADMP Cn1nc2c(c1C(=O)N1CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C1)C[NH2+]C2 ZINC001158131950 793351651 /nfs/dbraw/zinc/35/16/51/793351651.db2.gz OWDSBBZQSAZDOA-INIZCTEOSA-N 2 1 330.392 -1.425 20 0 EAADMP Cn1nc2c(c1C(=O)N1CC3(C[NH2+]C3)[C@]3(CCNC3=O)C1)C[NH2+]C2 ZINC001158131955 793351101 /nfs/dbraw/zinc/35/11/01/793351101.db2.gz OWDSBBZQSAZDOA-MRXNPFEDSA-N 2 1 330.392 -1.425 20 0 EAADMP CN1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158166942 793353111 /nfs/dbraw/zinc/35/31/11/793353111.db2.gz FEDQYGHUPPRJLM-KFWWJZLASA-N 2 1 338.452 -1.114 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158166942 793353105 /nfs/dbraw/zinc/35/31/05/793353105.db2.gz FEDQYGHUPPRJLM-KFWWJZLASA-N 3 1 338.452 -1.114 20 0 EAADMP CN1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158166943 793352691 /nfs/dbraw/zinc/35/26/91/793352691.db2.gz FEDQYGHUPPRJLM-RBSFLKMASA-N 2 1 338.452 -1.114 20 0 EAADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)OC2(CC[NH2+]CC2)C1 ZINC001158166943 793352687 /nfs/dbraw/zinc/35/26/87/793352687.db2.gz FEDQYGHUPPRJLM-RBSFLKMASA-N 3 1 338.452 -1.114 20 0 EAADMP O=C(c1nnn2c1C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286504 793356102 /nfs/dbraw/zinc/35/61/02/793356102.db2.gz VLJWGISPMDPYCZ-UHFFFAOYSA-N 2 1 343.395 -1.293 20 0 EAADMP Cc1[nH]c2c([nH+]1)CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001158347794 793357143 /nfs/dbraw/zinc/35/71/43/793357143.db2.gz OENBKURIYCFXEM-UHFFFAOYSA-N 2 1 329.426 -1.134 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001158380689 793357573 /nfs/dbraw/zinc/35/75/73/793357573.db2.gz UGURSFQITJQGOI-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)CC[N@H+]1C ZINC001158428899 793359640 /nfs/dbraw/zinc/35/96/40/793359640.db2.gz YMEDKEXBIOICCC-CHWSQXEVSA-N 2 1 339.440 -1.619 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486094 793359536 /nfs/dbraw/zinc/35/95/36/793359536.db2.gz FNSUNVNYVUKWLC-CHWSQXEVSA-N 2 1 333.454 -1.010 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486095 793359070 /nfs/dbraw/zinc/35/90/70/793359070.db2.gz FNSUNVNYVUKWLC-OLZOCXBDSA-N 2 1 333.454 -1.010 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486096 793359346 /nfs/dbraw/zinc/35/93/46/793359346.db2.gz FNSUNVNYVUKWLC-QWHCGFSZSA-N 2 1 333.454 -1.010 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486097 793359291 /nfs/dbraw/zinc/35/92/91/793359291.db2.gz FNSUNVNYVUKWLC-STQMWFEESA-N 2 1 333.454 -1.010 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486589 793359278 /nfs/dbraw/zinc/35/92/78/793359278.db2.gz OXMXVKNXGVBIEW-GHMZBOCLSA-N 2 1 327.385 -1.860 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486590 793359948 /nfs/dbraw/zinc/35/99/48/793359948.db2.gz OXMXVKNXGVBIEW-MNOVXSKESA-N 2 1 327.385 -1.860 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486591 793359152 /nfs/dbraw/zinc/35/91/52/793359152.db2.gz OXMXVKNXGVBIEW-QWRGUYRKSA-N 2 1 327.385 -1.860 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486592 793358442 /nfs/dbraw/zinc/35/84/42/793358442.db2.gz OXMXVKNXGVBIEW-WDEREUQCSA-N 2 1 327.385 -1.860 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486836 793359238 /nfs/dbraw/zinc/35/92/38/793359238.db2.gz SNHWSAYTTCKDMM-NEPJUHHUSA-N 2 1 341.412 -1.599 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486837 793359141 /nfs/dbraw/zinc/35/91/41/793359141.db2.gz SNHWSAYTTCKDMM-NWDGAFQWSA-N 2 1 341.412 -1.599 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486838 793358553 /nfs/dbraw/zinc/35/85/53/793358553.db2.gz SNHWSAYTTCKDMM-RYUDHWBXSA-N 2 1 341.412 -1.599 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486839 793358683 /nfs/dbraw/zinc/35/86/83/793358683.db2.gz SNHWSAYTTCKDMM-VXGBXAGGSA-N 2 1 341.412 -1.599 20 0 EAADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1nnn2c1C[NH2+]CC2 ZINC001158505909 793360117 /nfs/dbraw/zinc/36/01/17/793360117.db2.gz HYECYTFZLRFXKY-GARJFASQSA-N 2 1 334.380 -1.253 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507067 793360963 /nfs/dbraw/zinc/36/09/63/793360963.db2.gz PFPYACCHVWEAJS-CHWSQXEVSA-N 2 1 348.469 -1.505 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507068 793361127 /nfs/dbraw/zinc/36/11/27/793361127.db2.gz PFPYACCHVWEAJS-OLZOCXBDSA-N 2 1 348.469 -1.505 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507069 793360342 /nfs/dbraw/zinc/36/03/42/793360342.db2.gz PFPYACCHVWEAJS-QWHCGFSZSA-N 2 1 348.469 -1.505 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507070 793360135 /nfs/dbraw/zinc/36/01/35/793360135.db2.gz PFPYACCHVWEAJS-STQMWFEESA-N 2 1 348.469 -1.505 20 0 EAADMP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507712 793360814 /nfs/dbraw/zinc/36/08/14/793360814.db2.gz PUFFFAYSPCYLNN-KBPBESRZSA-N 2 1 339.440 -1.029 20 0 EAADMP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507714 793360925 /nfs/dbraw/zinc/36/09/25/793360925.db2.gz PUFFFAYSPCYLNN-KGLIPLIRSA-N 2 1 339.440 -1.029 20 0 EAADMP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158507716 793361326 /nfs/dbraw/zinc/36/13/26/793361326.db2.gz PUFFFAYSPCYLNN-UONOGXRCSA-N 2 1 339.440 -1.029 20 0 EAADMP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158507719 793360947 /nfs/dbraw/zinc/36/09/47/793360947.db2.gz PUFFFAYSPCYLNN-ZIAGYGMSSA-N 2 1 339.440 -1.029 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548731 793360491 /nfs/dbraw/zinc/36/04/91/793360491.db2.gz YCPICKJSVRPCNR-DNNBLBMLSA-N 2 1 337.468 -1.284 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548732 793360409 /nfs/dbraw/zinc/36/04/09/793360409.db2.gz YCPICKJSVRPCNR-DPAVQSFQSA-N 2 1 337.468 -1.284 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548733 793360466 /nfs/dbraw/zinc/36/04/66/793360466.db2.gz YCPICKJSVRPCNR-JJAZEVLHSA-N 2 1 337.468 -1.284 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548734 793360784 /nfs/dbraw/zinc/36/07/84/793360784.db2.gz YCPICKJSVRPCNR-PWXKEOIMSA-N 2 1 337.468 -1.284 20 0 EAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158747987 793365416 /nfs/dbraw/zinc/36/54/16/793365416.db2.gz OFKSLZDXCUWOFI-MQYQWHSLSA-N 2 1 340.424 -1.063 20 0 EAADMP CN(C)C(=O)COCc1noc2c1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001158748066 793365293 /nfs/dbraw/zinc/36/52/93/793365293.db2.gz UNMFKMWYNRFFRJ-NSHDSACASA-N 2 1 339.396 -1.160 20 0 EAADMP CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001158810608 793366310 /nfs/dbraw/zinc/36/63/10/793366310.db2.gz IXRMGJBWTGAKGT-NEPJUHHUSA-N 2 1 328.413 -1.425 20 0 EAADMP CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001158810609 793366188 /nfs/dbraw/zinc/36/61/88/793366188.db2.gz IXRMGJBWTGAKGT-RYUDHWBXSA-N 2 1 328.413 -1.425 20 0 EAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158890501 793368461 /nfs/dbraw/zinc/36/84/61/793368461.db2.gz FUTQPBWIGRMDNK-AWEZNQCLSA-N 3 1 349.479 -1.002 20 0 EAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001158890502 793367871 /nfs/dbraw/zinc/36/78/71/793367871.db2.gz FUTQPBWIGRMDNK-CQSZACIVSA-N 3 1 349.479 -1.002 20 0 EAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001159072808 793373636 /nfs/dbraw/zinc/37/36/36/793373636.db2.gz WEXMAMVJWLVKQS-NDBYEHHHSA-N 2 1 348.407 -1.188 20 0 EAADMP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001159077075 793373986 /nfs/dbraw/zinc/37/39/86/793373986.db2.gz MGYXAHPEVQOSPE-DVOMOZLQSA-N 2 1 342.440 -1.083 20 0 EAADMP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001159077076 793373763 /nfs/dbraw/zinc/37/37/63/793373763.db2.gz MGYXAHPEVQOSPE-HEHGZKQESA-N 2 1 342.440 -1.083 20 0 EAADMP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001159077077 793373026 /nfs/dbraw/zinc/37/30/26/793373026.db2.gz MGYXAHPEVQOSPE-WWGRRREGSA-N 2 1 342.440 -1.083 20 0 EAADMP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001159077078 793373010 /nfs/dbraw/zinc/37/30/10/793373010.db2.gz MGYXAHPEVQOSPE-XEZPLFJOSA-N 2 1 342.440 -1.083 20 0 EAADMP CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)C1 ZINC001159127654 793374795 /nfs/dbraw/zinc/37/47/95/793374795.db2.gz UPHPEJYHQVMPTN-BBRMVZONSA-N 2 1 341.456 -1.651 20 0 EAADMP CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2)C1 ZINC001159127655 793375210 /nfs/dbraw/zinc/37/52/10/793375210.db2.gz UPHPEJYHQVMPTN-XJKSGUPXSA-N 2 1 341.456 -1.651 20 0 EAADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001159189231 793374742 /nfs/dbraw/zinc/37/47/42/793374742.db2.gz BKRRQMHYGHAQDV-NSHDSACASA-N 3 1 338.412 -1.473 20 0 EAADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1COC[NH2+]1)CC2 ZINC001159189253 793375229 /nfs/dbraw/zinc/37/52/29/793375229.db2.gz BSIROUDNRXFLCD-NSHDSACASA-N 2 1 337.380 -1.203 20 0 EAADMP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@H]21 ZINC001159203001 793376649 /nfs/dbraw/zinc/37/66/49/793376649.db2.gz MLDGMSQTQROAPW-ZDEQEGDKSA-N 2 1 327.429 -1.203 20 0 EAADMP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001159224083 793377866 /nfs/dbraw/zinc/37/78/66/793377866.db2.gz HBSMTFSFVQVXJQ-NEPJUHHUSA-N 2 1 348.411 -1.288 20 0 EAADMP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001159224084 793377502 /nfs/dbraw/zinc/37/75/02/793377502.db2.gz HBSMTFSFVQVXJQ-RYUDHWBXSA-N 2 1 348.411 -1.288 20 0 EAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159271254 793381913 /nfs/dbraw/zinc/38/19/13/793381913.db2.gz CXDSGNDFHGWVCE-NSHDSACASA-N 2 1 347.379 -1.181 20 0 EAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001159633600 793387495 /nfs/dbraw/zinc/38/74/95/793387495.db2.gz OMEKHCYAALUHIF-ZDUSSCGKSA-N 2 1 345.407 -1.104 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH2+]3)CC[C@@H]2C1 ZINC001159634266 793388358 /nfs/dbraw/zinc/38/83/58/793388358.db2.gz AFALLQLVDHHRLV-CBBWQLFWSA-N 2 1 327.425 -1.095 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C[NH2+]3)CC[C@@H]2C1 ZINC001159634267 793388198 /nfs/dbraw/zinc/38/81/98/793388198.db2.gz AFALLQLVDHHRLV-KBUPBQIOSA-N 2 1 327.425 -1.095 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCN3)CC[C@@H]2C1 ZINC001159634348 793388705 /nfs/dbraw/zinc/38/87/05/793388705.db2.gz BCVPECGFPCYWMT-QLFBSQMISA-N 2 1 326.441 -1.257 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3N)CC[C@@H]2C1 ZINC001159635296 793388087 /nfs/dbraw/zinc/38/80/87/793388087.db2.gz KEJGTRSTDFQTSR-CBBWQLFWSA-N 2 1 326.441 -1.271 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC[C@@H]2C1 ZINC001159635327 793388901 /nfs/dbraw/zinc/38/89/01/793388901.db2.gz LJQICSUDNCIVFB-APIJFGDWSA-N 2 1 326.441 -1.129 20 0 EAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H](N)C[NH2+]3)CC[C@@H]2C1 ZINC001159635327 793388892 /nfs/dbraw/zinc/38/88/92/793388892.db2.gz LJQICSUDNCIVFB-APIJFGDWSA-N 2 1 326.441 -1.129 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]([NH3+])CN3)CC[C@@H]2C1 ZINC001159635327 793388887 /nfs/dbraw/zinc/38/88/87/793388887.db2.gz LJQICSUDNCIVFB-APIJFGDWSA-N 2 1 326.441 -1.129 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC[C@@H]2C1 ZINC001159635328 793389111 /nfs/dbraw/zinc/38/91/11/793389111.db2.gz LJQICSUDNCIVFB-CBBWQLFWSA-N 2 1 326.441 -1.129 20 0 EAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H](N)C[NH2+]3)CC[C@@H]2C1 ZINC001159635328 793389103 /nfs/dbraw/zinc/38/91/03/793389103.db2.gz LJQICSUDNCIVFB-CBBWQLFWSA-N 2 1 326.441 -1.129 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@H]([NH3+])CN3)CC[C@@H]2C1 ZINC001159635328 793389097 /nfs/dbraw/zinc/38/90/97/793389097.db2.gz LJQICSUDNCIVFB-CBBWQLFWSA-N 2 1 326.441 -1.129 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)CC[C@@H]2C1 ZINC001159635627 793388012 /nfs/dbraw/zinc/38/80/12/793388012.db2.gz PJWFTKACQYNLQJ-APIJFGDWSA-N 2 1 327.425 -1.238 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@@H]3O)CC[C@@H]2C1 ZINC001159635632 793388512 /nfs/dbraw/zinc/38/85/12/793388512.db2.gz PJWFTKACQYNLQJ-CBBWQLFWSA-N 2 1 327.425 -1.238 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3O)CC[C@@H]2C1 ZINC001159635634 793388598 /nfs/dbraw/zinc/38/85/98/793388598.db2.gz PJWFTKACQYNLQJ-KBUPBQIOSA-N 2 1 327.425 -1.238 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3C[NH2+]C[C@H]3O)CC[C@@H]2C1 ZINC001159635636 793389152 /nfs/dbraw/zinc/38/91/52/793389152.db2.gz PJWFTKACQYNLQJ-LXTVHRRPSA-N 2 1 327.425 -1.238 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@]3(N)CC[NH2+]C3)CC[C@@H]2C1 ZINC001159636079 793388572 /nfs/dbraw/zinc/38/85/72/793388572.db2.gz RKUPDNLJHBFIDI-FMKPAKJESA-N 2 1 326.441 -1.127 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(N)CC[NH2+]C3)CC[C@@H]2C1 ZINC001159636080 793388764 /nfs/dbraw/zinc/38/87/64/793388764.db2.gz RKUPDNLJHBFIDI-IIAWOOMASA-N 2 1 326.441 -1.127 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@@H]3O)CC[C@@H]2C1 ZINC001159637155 793388685 /nfs/dbraw/zinc/38/86/85/793388685.db2.gz XPUPRIWRPWXVQT-BARDWOONSA-N 2 1 327.425 -1.095 20 0 EAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC[C@@H]2C1 ZINC001159637156 793388493 /nfs/dbraw/zinc/38/84/93/793388493.db2.gz XPUPRIWRPWXVQT-TUVASFSCSA-N 2 1 327.425 -1.095 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CCOCCO ZINC001159875944 793390932 /nfs/dbraw/zinc/39/09/32/793390932.db2.gz DPIBGZZCPOAQKD-AWEZNQCLSA-N 2 1 327.429 -1.082 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CCOCCO ZINC001159875946 793391144 /nfs/dbraw/zinc/39/11/44/793391144.db2.gz DPIBGZZCPOAQKD-CQSZACIVSA-N 2 1 327.429 -1.082 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001159877633 793390732 /nfs/dbraw/zinc/39/07/32/793390732.db2.gz QNWHCXRUJBBNAA-CYBMUJFWSA-N 2 1 345.469 -1.046 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001159877634 793392236 /nfs/dbraw/zinc/39/22/36/793392236.db2.gz QNWHCXRUJBBNAA-ZDUSSCGKSA-N 2 1 345.469 -1.046 20 0 EAADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159877668 793392212 /nfs/dbraw/zinc/39/22/12/793392212.db2.gz RGMCJOMNMLDFLZ-LLVKDONJSA-N 2 1 339.400 -1.896 20 0 EAADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159877669 793393365 /nfs/dbraw/zinc/39/33/65/793393365.db2.gz RGMCJOMNMLDFLZ-NSHDSACASA-N 2 1 339.400 -1.896 20 0 EAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878299 793392478 /nfs/dbraw/zinc/39/24/78/793392478.db2.gz WOQYFZOBONORHV-KBPBESRZSA-N 2 1 327.429 -1.084 20 0 EAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878309 793391872 /nfs/dbraw/zinc/39/18/72/793391872.db2.gz WOQYFZOBONORHV-KGLIPLIRSA-N 2 1 327.429 -1.084 20 0 EAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878313 793392944 /nfs/dbraw/zinc/39/29/44/793392944.db2.gz WOQYFZOBONORHV-UONOGXRCSA-N 2 1 327.429 -1.084 20 0 EAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878315 793392364 /nfs/dbraw/zinc/39/23/64/793392364.db2.gz WOQYFZOBONORHV-ZIAGYGMSSA-N 2 1 327.429 -1.084 20 0 EAADMP COCCN1CCO[C@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC[C@H]2C1=O ZINC001159918491 793392804 /nfs/dbraw/zinc/39/28/04/793392804.db2.gz STYZKVWZIWVMAA-AGIUHOORSA-N 2 1 328.413 -1.615 20 0 EAADMP CC(=O)NCc1nnc2n1CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001159931404 793392626 /nfs/dbraw/zinc/39/26/26/793392626.db2.gz ZHLFTEXPSVTOOC-UHFFFAOYSA-N 2 1 335.412 -1.402 20 0 EAADMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1)C1CCC1 ZINC001159997161 793394604 /nfs/dbraw/zinc/39/46/04/793394604.db2.gz IMHFYSHRGHPHGR-UHFFFAOYSA-N 2 1 339.440 -1.475 20 0 EAADMP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]2C1 ZINC001160007934 793393792 /nfs/dbraw/zinc/39/37/92/793393792.db2.gz RBIIINQPVGISJQ-WOPDTQHZSA-N 2 1 333.458 -1.751 20 0 EAADMP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H]2COC[C@H]12 ZINC001160086196 793396387 /nfs/dbraw/zinc/39/63/87/793396387.db2.gz UXVXBUJXJWYZIG-GFQSEFKGSA-N 2 1 335.408 -1.343 20 0 EAADMP [NH3+]Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncn1 ZINC001160086870 793397130 /nfs/dbraw/zinc/39/71/30/793397130.db2.gz LPFFSTKBNZZEMV-HUXSOILUSA-N 2 1 349.351 -2.352 20 0 EAADMP Nc1cc[nH+]c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160087610 793397816 /nfs/dbraw/zinc/39/78/16/793397816.db2.gz YTADOSKQFAFRJF-HUXSOILUSA-N 2 1 334.336 -1.624 20 0 EAADMP Cc1c[nH+]c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1N ZINC001160093000 793397858 /nfs/dbraw/zinc/39/78/58/793397858.db2.gz POVYRAOTLQRRMJ-ICGCDAGXSA-N 2 1 348.363 -1.315 20 0 EAADMP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155039 793396602 /nfs/dbraw/zinc/39/66/02/793396602.db2.gz DAZUHWAHUQBNOC-QLFBSQMISA-N 2 1 336.436 -1.362 20 0 EAADMP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155041 793396447 /nfs/dbraw/zinc/39/64/47/793396447.db2.gz DAZUHWAHUQBNOC-ZNMIVQPWSA-N 2 1 336.436 -1.362 20 0 EAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155554 793397652 /nfs/dbraw/zinc/39/76/52/793397652.db2.gz JCKCXWNMOBKBAX-DEQVHRJGSA-N 2 1 340.424 -1.868 20 0 EAADMP CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160172425 793398335 /nfs/dbraw/zinc/39/83/35/793398335.db2.gz XEOLUKWZIPJHSV-INIZCTEOSA-N 2 1 337.424 -1.723 20 0 EAADMP CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)C2 ZINC001160172426 793398658 /nfs/dbraw/zinc/39/86/58/793398658.db2.gz XEOLUKWZIPJHSV-MRXNPFEDSA-N 2 1 337.424 -1.723 20 0 EAADMP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160267190 793401282 /nfs/dbraw/zinc/40/12/82/793401282.db2.gz OTXPKWKVRBXPGM-ZDUSSCGKSA-N 2 1 349.435 -1.460 20 0 EAADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160380128 793403207 /nfs/dbraw/zinc/40/32/07/793403207.db2.gz BNEDAYMITFMZNE-JTQLQIEISA-N 2 1 339.400 -2.099 20 0 EAADMP CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160419176 793403220 /nfs/dbraw/zinc/40/32/20/793403220.db2.gz QAWYPYDGOHXDSD-BBRMVZONSA-N 2 1 342.440 -1.225 20 0 EAADMP CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C2 ZINC001160419177 793402510 /nfs/dbraw/zinc/40/25/10/793402510.db2.gz QAWYPYDGOHXDSD-XJKSGUPXSA-N 2 1 342.440 -1.225 20 0 EAADMP COc1cc(OC)nc(CN2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)n1 ZINC001160429239 793403278 /nfs/dbraw/zinc/40/32/78/793403278.db2.gz RLPZMHZBHDXDBW-NSHDSACASA-N 2 1 338.412 -1.186 20 0 EAADMP CC(C)NC(=O)CN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160484947 793405976 /nfs/dbraw/zinc/40/59/76/793405976.db2.gz LBQWCKCHDZKXGL-UHFFFAOYSA-N 2 1 325.457 -1.003 20 0 EAADMP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160492231 793405954 /nfs/dbraw/zinc/40/59/54/793405954.db2.gz DGAYINCVNNBFHX-CMPLNLGQSA-N 2 1 345.421 -1.056 20 0 EAADMP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160492235 793405665 /nfs/dbraw/zinc/40/56/65/793405665.db2.gz DGAYINCVNNBFHX-JQWIXIFHSA-N 2 1 345.421 -1.056 20 0 EAADMP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160492238 793405407 /nfs/dbraw/zinc/40/54/07/793405407.db2.gz DGAYINCVNNBFHX-PWSUYJOCSA-N 2 1 345.421 -1.056 20 0 EAADMP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001160492242 793405851 /nfs/dbraw/zinc/40/58/51/793405851.db2.gz DGAYINCVNNBFHX-ZYHUDNBSSA-N 2 1 345.421 -1.056 20 0 EAADMP CS(=O)(=O)CCCN1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160586319 793407950 /nfs/dbraw/zinc/40/79/50/793407950.db2.gz ZQVUWYLCSJLHFX-UHFFFAOYSA-N 2 1 346.497 -1.093 20 0 EAADMP C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160630089 793408212 /nfs/dbraw/zinc/40/82/12/793408212.db2.gz VIJBSMJJUJYTBA-KBPBESRZSA-N 2 1 345.488 -1.457 20 0 EAADMP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CCS(=O)(=O)CC1 ZINC001160718946 793576413 /nfs/dbraw/zinc/57/64/13/793576413.db2.gz YIFJKEADXABZJT-CYBMUJFWSA-N 2 1 332.470 -1.228 20 0 EAADMP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CCS(=O)(=O)CC1 ZINC001160718947 793575672 /nfs/dbraw/zinc/57/56/72/793575672.db2.gz YIFJKEADXABZJT-ZDUSSCGKSA-N 2 1 332.470 -1.228 20 0 EAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]1C2 ZINC001160797442 793578685 /nfs/dbraw/zinc/57/86/85/793578685.db2.gz OYLVYHQEZURETP-KAHPBISDSA-N 2 1 337.420 -1.090 20 0 EAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]1C2 ZINC001160797443 793578805 /nfs/dbraw/zinc/57/88/05/793578805.db2.gz OYLVYHQEZURETP-MPZWGZMNSA-N 2 1 337.420 -1.090 20 0 EAADMP CCOC(=O)[C@]12CN(C(=O)c3nnn4c3C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160819208 793578978 /nfs/dbraw/zinc/57/89/78/793578978.db2.gz IZPHPQUMCIMWMJ-BDJLRTHQSA-N 2 1 348.407 -1.004 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850630 793578534 /nfs/dbraw/zinc/57/85/34/793578534.db2.gz CYGMXDXXTUXBRS-QLFBSQMISA-N 2 1 347.456 -1.175 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850630 793578530 /nfs/dbraw/zinc/57/85/30/793578530.db2.gz CYGMXDXXTUXBRS-QLFBSQMISA-N 2 1 347.456 -1.175 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850633 793578778 /nfs/dbraw/zinc/57/87/78/793578778.db2.gz CYGMXDXXTUXBRS-RBSFLKMASA-N 2 1 347.456 -1.175 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850633 793578773 /nfs/dbraw/zinc/57/87/73/793578773.db2.gz CYGMXDXXTUXBRS-RBSFLKMASA-N 2 1 347.456 -1.175 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160850765 793578579 /nfs/dbraw/zinc/57/85/79/793578579.db2.gz GQXIZQMJNTXVOL-UKRRQHHQSA-N 2 1 344.456 -1.046 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160850765 793578576 /nfs/dbraw/zinc/57/85/76/793578576.db2.gz GQXIZQMJNTXVOL-UKRRQHHQSA-N 2 1 344.456 -1.046 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)O1 ZINC001160850824 793579098 /nfs/dbraw/zinc/57/90/98/793579098.db2.gz ISJBNAPKALFGSR-CHWSQXEVSA-N 2 1 327.429 -1.173 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)O1 ZINC001160850824 793579089 /nfs/dbraw/zinc/57/90/89/793579089.db2.gz ISJBNAPKALFGSR-CHWSQXEVSA-N 2 1 327.429 -1.173 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)O1 ZINC001160851367 793579454 /nfs/dbraw/zinc/57/94/54/793579454.db2.gz XLQYNVAIZUETLI-GRYCIOLGSA-N 2 1 326.397 -1.393 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)O1 ZINC001160851367 793579450 /nfs/dbraw/zinc/57/94/50/793579450.db2.gz XLQYNVAIZUETLI-GRYCIOLGSA-N 2 1 326.397 -1.393 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)O1 ZINC001160851368 793580168 /nfs/dbraw/zinc/58/01/68/793580168.db2.gz XLQYNVAIZUETLI-IJLUTSLNSA-N 2 1 326.397 -1.393 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)O1 ZINC001160851368 793580163 /nfs/dbraw/zinc/58/01/63/793580163.db2.gz XLQYNVAIZUETLI-IJLUTSLNSA-N 2 1 326.397 -1.393 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857022 793581659 /nfs/dbraw/zinc/58/16/59/793581659.db2.gz BSGPQDJLMJSYHI-GRYCIOLGSA-N 2 1 343.428 -1.355 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857022 793581656 /nfs/dbraw/zinc/58/16/56/793581656.db2.gz BSGPQDJLMJSYHI-GRYCIOLGSA-N 2 1 343.428 -1.355 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857024 793580055 /nfs/dbraw/zinc/58/00/55/793580055.db2.gz BSGPQDJLMJSYHI-IJLUTSLNSA-N 2 1 343.428 -1.355 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857024 793580049 /nfs/dbraw/zinc/58/00/49/793580049.db2.gz BSGPQDJLMJSYHI-IJLUTSLNSA-N 2 1 343.428 -1.355 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)O1 ZINC001160857095 793581093 /nfs/dbraw/zinc/58/10/93/793581093.db2.gz DISLGZPFRVIDBZ-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)O1 ZINC001160857095 793581086 /nfs/dbraw/zinc/58/10/86/793581086.db2.gz DISLGZPFRVIDBZ-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001160857096 793581321 /nfs/dbraw/zinc/58/13/21/793581321.db2.gz DKFQWPHRZNUPSX-GMTAPVOTSA-N 2 1 329.401 -1.615 20 0 EAADMP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001160857096 793581315 /nfs/dbraw/zinc/58/13/15/793581315.db2.gz DKFQWPHRZNUPSX-GMTAPVOTSA-N 2 1 329.401 -1.615 20 0 EAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001160857097 793581500 /nfs/dbraw/zinc/58/15/00/793581500.db2.gz DKFQWPHRZNUPSX-OUAUKWLOSA-N 2 1 329.401 -1.615 20 0 EAADMP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C(=O)NC(N)=O ZINC001160857097 793581495 /nfs/dbraw/zinc/58/14/95/793581495.db2.gz DKFQWPHRZNUPSX-OUAUKWLOSA-N 2 1 329.401 -1.615 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)O1 ZINC001160857751 793581466 /nfs/dbraw/zinc/58/14/66/793581466.db2.gz OTKCSQUVQGFRRR-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)O1 ZINC001160857751 793581461 /nfs/dbraw/zinc/58/14/61/793581461.db2.gz OTKCSQUVQGFRRR-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)O1 ZINC001160858188 793580078 /nfs/dbraw/zinc/58/00/78/793580078.db2.gz ZRYZBPOCGVTCBO-VXGBXAGGSA-N 2 1 336.458 -1.649 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)O1 ZINC001160858188 793580071 /nfs/dbraw/zinc/58/00/71/793580071.db2.gz ZRYZBPOCGVTCBO-VXGBXAGGSA-N 2 1 336.458 -1.649 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160861919 793581566 /nfs/dbraw/zinc/58/15/66/793581566.db2.gz AUNOQTVLXYVECY-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160861919 793581563 /nfs/dbraw/zinc/58/15/63/793581563.db2.gz AUNOQTVLXYVECY-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)O1 ZINC001160861985 793581592 /nfs/dbraw/zinc/58/15/92/793581592.db2.gz FXJRBELRHJEFSY-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)O1 ZINC001160861985 793581585 /nfs/dbraw/zinc/58/15/85/793581585.db2.gz FXJRBELRHJEFSY-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862306 793579992 /nfs/dbraw/zinc/57/99/92/793579992.db2.gz MHHJSCDDTACFRB-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862306 793579990 /nfs/dbraw/zinc/57/99/90/793579990.db2.gz MHHJSCDDTACFRB-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862825 793580239 /nfs/dbraw/zinc/58/02/39/793580239.db2.gz WVANFUDODZKEDJ-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862825 793580234 /nfs/dbraw/zinc/58/02/34/793580234.db2.gz WVANFUDODZKEDJ-GHMZBOCLSA-N 2 1 329.401 -1.743 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862858 793580341 /nfs/dbraw/zinc/58/03/41/793580341.db2.gz YHFIJMAQVBNUPL-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862858 793580332 /nfs/dbraw/zinc/58/03/32/793580332.db2.gz YHFIJMAQVBNUPL-ZIAGYGMSSA-N 2 1 344.456 -1.046 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009162 793584358 /nfs/dbraw/zinc/58/43/58/793584358.db2.gz SVAZGQXJDZUHQB-KBPBESRZSA-N 2 1 325.457 -1.548 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009163 793584069 /nfs/dbraw/zinc/58/40/69/793584069.db2.gz SVAZGQXJDZUHQB-KGLIPLIRSA-N 2 1 325.457 -1.548 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009164 793584142 /nfs/dbraw/zinc/58/41/42/793584142.db2.gz SVAZGQXJDZUHQB-UONOGXRCSA-N 2 1 325.457 -1.548 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009165 793585065 /nfs/dbraw/zinc/58/50/65/793585065.db2.gz SVAZGQXJDZUHQB-ZIAGYGMSSA-N 2 1 325.457 -1.548 20 0 EAADMP O=C(c1cccnc1NCCN1CC[NH2+]CC1=O)N1CC[NH2+]CC1 ZINC001161024157 793584689 /nfs/dbraw/zinc/58/46/89/793584689.db2.gz HMSLIALHZVGUSN-UHFFFAOYSA-N 2 1 332.408 -1.029 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001161040815 793583640 /nfs/dbraw/zinc/58/36/40/793583640.db2.gz DDKVHRUSNJQUTG-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001161040816 793583673 /nfs/dbraw/zinc/58/36/73/793583673.db2.gz DDKVHRUSNJQUTG-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001161048912 793584340 /nfs/dbraw/zinc/58/43/40/793584340.db2.gz AOCCFCZLQPQKFI-SRVKXCTJSA-N 2 1 327.429 -1.365 20 0 EAADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C1 ZINC001161048913 793584420 /nfs/dbraw/zinc/58/44/20/793584420.db2.gz AOCCFCZLQPQKFI-TUAOUCFPSA-N 2 1 327.429 -1.365 20 0 EAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066618 793584593 /nfs/dbraw/zinc/58/45/93/793584593.db2.gz BRWGODCVXKHDQS-MNOVXSKESA-N 2 1 327.410 -1.363 20 0 EAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066620 793583550 /nfs/dbraw/zinc/58/35/50/793583550.db2.gz BRWGODCVXKHDQS-QWRGUYRKSA-N 2 1 327.410 -1.363 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001161081935 793586151 /nfs/dbraw/zinc/58/61/51/793586151.db2.gz MTJLPYIKHWWFHS-BJDJZHNGSA-N 2 1 325.413 -1.754 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161081937 793585659 /nfs/dbraw/zinc/58/56/59/793585659.db2.gz MTJLPYIKHWWFHS-FIQHERPVSA-N 2 1 325.413 -1.754 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001161081939 793585440 /nfs/dbraw/zinc/58/54/40/793585440.db2.gz MTJLPYIKHWWFHS-USZNOCQGSA-N 2 1 325.413 -1.754 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001161081940 793586326 /nfs/dbraw/zinc/58/63/26/793586326.db2.gz MTJLPYIKHWWFHS-WHOHXGKFSA-N 2 1 325.413 -1.754 20 0 EAADMP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138595 793589074 /nfs/dbraw/zinc/58/90/74/793589074.db2.gz WSCNJLIQFQANJF-BLLLJJGKSA-N 2 1 340.424 -1.458 20 0 EAADMP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138596 793589541 /nfs/dbraw/zinc/58/95/41/793589541.db2.gz WSCNJLIQFQANJF-LRDDRELGSA-N 2 1 340.424 -1.458 20 0 EAADMP COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138597 793589672 /nfs/dbraw/zinc/58/96/72/793589672.db2.gz WSCNJLIQFQANJF-MLGOLLRUSA-N 2 1 340.424 -1.458 20 0 EAADMP COC(=O)[C@]1(N)CCN(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C1 ZINC001161138598 793589223 /nfs/dbraw/zinc/58/92/23/793589223.db2.gz WSCNJLIQFQANJF-WBMJQRKESA-N 2 1 340.424 -1.458 20 0 EAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001161158611 793590447 /nfs/dbraw/zinc/59/04/47/793590447.db2.gz KFTXYPMRERMXKL-CYBMUJFWSA-N 2 1 329.445 -1.523 20 0 EAADMP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001161158614 793590717 /nfs/dbraw/zinc/59/07/17/793590717.db2.gz KFTXYPMRERMXKL-ZDUSSCGKSA-N 2 1 329.445 -1.523 20 0 EAADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C[C@H]2C1 ZINC001161174981 793591414 /nfs/dbraw/zinc/59/14/14/793591414.db2.gz HVOVNVJWBUFIIH-RVMXOQNASA-N 2 1 339.440 -1.506 20 0 EAADMP [NH3+]C[C@H](O)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197862 793592416 /nfs/dbraw/zinc/59/24/16/793592416.db2.gz HKLPUTVARARPGE-HNNXBMFYSA-N 3 1 328.457 -1.144 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001161251359 793593660 /nfs/dbraw/zinc/59/36/60/793593660.db2.gz QIOGYEDQNVKMPZ-UHFFFAOYSA-N 2 1 341.456 -1.229 20 0 EAADMP COC(=O)[C@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161297645 793596040 /nfs/dbraw/zinc/59/60/40/793596040.db2.gz YKADJPUWJMWESU-CYBMUJFWSA-N 2 1 326.397 -1.440 20 0 EAADMP COC(=O)[C@@H]1CN(C(=O)C[NH2+]C2CC[NH2+]CC2)CCN1C(C)=O ZINC001161297646 793596624 /nfs/dbraw/zinc/59/66/24/793596624.db2.gz YKADJPUWJMWESU-ZDUSSCGKSA-N 2 1 326.397 -1.440 20 0 EAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379786 793596430 /nfs/dbraw/zinc/59/64/30/793596430.db2.gz QHNIVMNOHQNUBW-CYBMUJFWSA-N 3 1 347.485 -1.769 20 0 EAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379787 793596294 /nfs/dbraw/zinc/59/62/94/793596294.db2.gz QHNIVMNOHQNUBW-ZDUSSCGKSA-N 3 1 347.485 -1.769 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423454 793599927 /nfs/dbraw/zinc/59/99/27/793599927.db2.gz AQDUNDVNUFOZOY-AVGNSLFASA-N 2 1 337.424 -1.643 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423455 793599564 /nfs/dbraw/zinc/59/95/64/793599564.db2.gz AQDUNDVNUFOZOY-XQQFMLRXSA-N 2 1 337.424 -1.643 20 0 EAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423609 793600137 /nfs/dbraw/zinc/60/01/37/793600137.db2.gz GWJYUAAXQBZKAV-JTQLQIEISA-N 2 1 340.384 -3.790 20 0 EAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423610 793600109 /nfs/dbraw/zinc/60/01/09/793600109.db2.gz GWJYUAAXQBZKAV-SNVBAGLBSA-N 2 1 340.384 -3.790 20 0 EAADMP C[NH+](C)CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449081 793599955 /nfs/dbraw/zinc/59/99/55/793599955.db2.gz JNESGJCNISOLJA-CVEARBPZSA-N 3 1 340.516 -1.121 20 0 EAADMP C[NH+](C)CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161449085 793599662 /nfs/dbraw/zinc/59/96/62/793599662.db2.gz JNESGJCNISOLJA-HOTGVXAUSA-N 3 1 340.516 -1.121 20 0 EAADMP C[NH+](C)CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC001161449089 793599825 /nfs/dbraw/zinc/59/98/25/793599825.db2.gz JNESGJCNISOLJA-HZPDHXFCSA-N 3 1 340.516 -1.121 20 0 EAADMP C[NH+](C)CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)[C@H]1CCC[NH2+]C1 ZINC001161449093 793600033 /nfs/dbraw/zinc/60/00/33/793600033.db2.gz JNESGJCNISOLJA-JKSUJKDBSA-N 3 1 340.516 -1.121 20 0 EAADMP C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449364 793599464 /nfs/dbraw/zinc/59/94/64/793599464.db2.gz MLMFSHJGTZDGKW-AVGNSLFASA-N 2 1 329.445 -2.047 20 0 EAADMP C[C@H](NC(=O)[C@@H](N)CO)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449365 793599897 /nfs/dbraw/zinc/59/98/97/793599897.db2.gz MLMFSHJGTZDGKW-XQQFMLRXSA-N 2 1 329.445 -2.047 20 0 EAADMP C[N@@H+](C1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1)[C@H]1CCOC1 ZINC001161498181 793602619 /nfs/dbraw/zinc/60/26/19/793602619.db2.gz ISWGJENSLGFTER-NSHDSACASA-N 2 1 334.442 -1.862 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161501097 793603973 /nfs/dbraw/zinc/60/39/73/793603973.db2.gz XQLRYXVQIGGSNX-NHCYSSNCSA-N 2 1 341.412 -2.375 20 0 EAADMP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@@H]2C(=O)N(C)C ZINC001161506301 793603784 /nfs/dbraw/zinc/60/37/84/793603784.db2.gz FGNDTDPOYZWEJD-NEPJUHHUSA-N 2 1 325.413 -1.942 20 0 EAADMP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])C[C@H]2C(=O)N(C)C ZINC001161506302 793603665 /nfs/dbraw/zinc/60/36/65/793603665.db2.gz FGNDTDPOYZWEJD-RYUDHWBXSA-N 2 1 325.413 -1.942 20 0 EAADMP C[NH+](C)Cc1cc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)no1 ZINC001161551208 793605727 /nfs/dbraw/zinc/60/57/27/793605727.db2.gz BEIIAVCXSSUFMA-UHFFFAOYSA-N 2 1 326.357 -1.359 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551397 793605469 /nfs/dbraw/zinc/60/54/69/793605469.db2.gz FJWJIWXDYFCTQE-UHFFFAOYSA-N 2 1 340.384 -1.099 20 0 EAADMP C[NH+](C)Cc1cc(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)no1 ZINC001161552754 793604750 /nfs/dbraw/zinc/60/47/50/793604750.db2.gz UXSSRSSHCCZUOB-UHFFFAOYSA-N 2 1 347.441 -1.005 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@@H]21 ZINC001162443764 793624199 /nfs/dbraw/zinc/62/41/99/793624199.db2.gz JLNUDDNIOVTZQN-KFWWJZLASA-N 2 1 334.428 -1.648 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2NCN[C@@H]21 ZINC001162443765 793624430 /nfs/dbraw/zinc/62/44/30/793624430.db2.gz JLNUDDNIOVTZQN-RBSFLKMASA-N 2 1 334.428 -1.648 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@H]2NCN[C@H]21 ZINC001162443766 793624946 /nfs/dbraw/zinc/62/49/46/793624946.db2.gz JLNUDDNIOVTZQN-RRFJBIMHSA-N 2 1 334.428 -1.648 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)nn2)[C@@H]2NCN[C@H]21 ZINC001162443767 793624164 /nfs/dbraw/zinc/62/41/64/793624164.db2.gz JLNUDDNIOVTZQN-ZNMIVQPWSA-N 2 1 334.428 -1.648 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2NCN[C@H]21 ZINC001162445330 793624610 /nfs/dbraw/zinc/62/46/10/793624610.db2.gz SRTLKQOJYRJFEZ-ARFHVFGLSA-N 2 1 333.440 -1.043 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2NCN[C@@H]21 ZINC001162445334 793626487 /nfs/dbraw/zinc/62/64/87/793626487.db2.gz SRTLKQOJYRJFEZ-BZUAXINKSA-N 2 1 333.440 -1.043 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2NCN[C@@H]21 ZINC001162445335 793626324 /nfs/dbraw/zinc/62/63/24/793626324.db2.gz SRTLKQOJYRJFEZ-OAGGEKHMSA-N 2 1 333.440 -1.043 20 0 EAADMP [NH3+][C@@H]1NCN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2NCN[C@H]21 ZINC001162445337 793626896 /nfs/dbraw/zinc/62/68/96/793626896.db2.gz SRTLKQOJYRJFEZ-XHSDSOJGSA-N 2 1 333.440 -1.043 20 0 EAADMP COCC1(CNC(=O)COCC[NH+](C)C)CC[NH+](CC(N)=O)CC1 ZINC001162576227 793627586 /nfs/dbraw/zinc/62/75/86/793627586.db2.gz BDDTUGIBXXIMGS-UHFFFAOYSA-N 2 1 344.456 -1.105 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001162606544 793627407 /nfs/dbraw/zinc/62/74/07/793627407.db2.gz RQWSABNBBZQLHS-UHFFFAOYSA-N 2 1 336.396 -1.754 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001162646267 793629604 /nfs/dbraw/zinc/62/96/04/793629604.db2.gz DJDMDRKENQDOEB-UHFFFAOYSA-N 2 1 348.407 -1.115 20 0 EAADMP O=C(NCCC[NH2+]CCOCCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872272 793631800 /nfs/dbraw/zinc/63/18/00/793631800.db2.gz MNHSPIHMWZJDBY-BBBYJDLNSA-N 2 1 327.425 -1.046 20 0 EAADMP O=C(NCCC[NH2+]CCOCCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872273 793630833 /nfs/dbraw/zinc/63/08/33/793630833.db2.gz MNHSPIHMWZJDBY-NPCAHTBFSA-N 2 1 327.425 -1.046 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872301 793630912 /nfs/dbraw/zinc/63/09/12/793630912.db2.gz NIGWNTKGEDVMBY-LOIXOFCESA-N 2 1 339.396 -1.860 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872302 793631144 /nfs/dbraw/zinc/63/11/44/793631144.db2.gz NIGWNTKGEDVMBY-VTWZXRTESA-N 2 1 339.396 -1.860 20 0 EAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872328 793631090 /nfs/dbraw/zinc/63/10/90/793631090.db2.gz OFVADRYTPGBMDB-IOSBVQAASA-N 2 1 327.425 -1.047 20 0 EAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872329 793631976 /nfs/dbraw/zinc/63/19/76/793631976.db2.gz OFVADRYTPGBMDB-IQXANGCESA-N 2 1 327.425 -1.047 20 0 EAADMP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872330 793631989 /nfs/dbraw/zinc/63/19/89/793631989.db2.gz OFVADRYTPGBMDB-MYMJJRTCSA-N 2 1 327.425 -1.047 20 0 EAADMP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872331 793631862 /nfs/dbraw/zinc/63/18/62/793631862.db2.gz OFVADRYTPGBMDB-WJEHIRDRSA-N 2 1 327.425 -1.047 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872396 793631218 /nfs/dbraw/zinc/63/12/18/793631218.db2.gz QNQJUUZSYWTAMF-JVWICGRDSA-N 2 1 345.465 -1.010 20 0 EAADMP CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872397 793631299 /nfs/dbraw/zinc/63/12/99/793631299.db2.gz QNQJUUZSYWTAMF-OWYJLGKBSA-N 2 1 345.465 -1.010 20 0 EAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872472 793631780 /nfs/dbraw/zinc/63/17/80/793631780.db2.gz SXHCTFBTROXCRL-AVERBVTBSA-N 2 1 335.412 -1.331 20 0 EAADMP Cn1nnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872473 793632021 /nfs/dbraw/zinc/63/20/21/793632021.db2.gz SXHCTFBTROXCRL-MQYJIDSJSA-N 2 1 335.412 -1.331 20 0 EAADMP Cc1nnc(C[NH3+])n1-c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001163346257 793640883 /nfs/dbraw/zinc/64/08/83/793640883.db2.gz MEFZDPXTBWUUPH-UHFFFAOYSA-N 2 1 337.409 -1.084 20 0 EAADMP C[NH2+]C1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001163703121 793645358 /nfs/dbraw/zinc/64/53/58/793645358.db2.gz YCDSIAYQHBGJOY-UHFFFAOYSA-N 2 1 335.412 -1.047 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001163940462 793653418 /nfs/dbraw/zinc/65/34/18/793653418.db2.gz LCMHTIYGCRFWAT-LLVKDONJSA-N 2 1 341.412 -1.612 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001163940462 793653414 /nfs/dbraw/zinc/65/34/14/793653414.db2.gz LCMHTIYGCRFWAT-LLVKDONJSA-N 2 1 341.412 -1.612 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001163940463 793654154 /nfs/dbraw/zinc/65/41/54/793654154.db2.gz LCMHTIYGCRFWAT-NSHDSACASA-N 2 1 341.412 -1.612 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001163940463 793654150 /nfs/dbraw/zinc/65/41/50/793654150.db2.gz LCMHTIYGCRFWAT-NSHDSACASA-N 2 1 341.412 -1.612 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001164536034 793663603 /nfs/dbraw/zinc/66/36/03/793663603.db2.gz LCXKDHRFYFARKM-NEPJUHHUSA-N 2 1 343.428 -1.225 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001164536035 793663459 /nfs/dbraw/zinc/66/34/59/793663459.db2.gz LCXKDHRFYFARKM-NWDGAFQWSA-N 2 1 343.428 -1.225 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001164536036 793663128 /nfs/dbraw/zinc/66/31/28/793663128.db2.gz LCXKDHRFYFARKM-RYUDHWBXSA-N 2 1 343.428 -1.225 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001164536037 793662562 /nfs/dbraw/zinc/66/25/62/793662562.db2.gz LCXKDHRFYFARKM-VXGBXAGGSA-N 2 1 343.428 -1.225 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001164536296 793662999 /nfs/dbraw/zinc/66/29/99/793662999.db2.gz PTLFVDWPXWQQPG-LLVKDONJSA-N 2 1 329.401 -1.614 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001164536297 793663497 /nfs/dbraw/zinc/66/34/97/793663497.db2.gz PTLFVDWPXWQQPG-NSHDSACASA-N 2 1 329.401 -1.614 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001164538351 793663532 /nfs/dbraw/zinc/66/35/32/793663532.db2.gz FIGDKEHZXUOSNM-CHWSQXEVSA-N 2 1 340.424 -1.003 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001164538353 793663036 /nfs/dbraw/zinc/66/30/36/793663036.db2.gz FIGDKEHZXUOSNM-OLZOCXBDSA-N 2 1 340.424 -1.003 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001164538354 793662805 /nfs/dbraw/zinc/66/28/05/793662805.db2.gz FIGDKEHZXUOSNM-QWHCGFSZSA-N 2 1 340.424 -1.003 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001164538356 793663188 /nfs/dbraw/zinc/66/31/88/793663188.db2.gz FIGDKEHZXUOSNM-STQMWFEESA-N 2 1 340.424 -1.003 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164539094 793663412 /nfs/dbraw/zinc/66/34/12/793663412.db2.gz SBECDCJCMSVEPE-GFCCVEGCSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164539095 793663517 /nfs/dbraw/zinc/66/35/17/793663517.db2.gz SBECDCJCMSVEPE-LBPRGKRZSA-N 2 1 343.428 -1.353 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001164539392 793663563 /nfs/dbraw/zinc/66/35/63/793663563.db2.gz ZQABOMILGWCVEJ-GFCCVEGCSA-N 2 1 325.417 -1.085 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2nnnn2C)C1 ZINC001164539394 793662930 /nfs/dbraw/zinc/66/29/30/793662930.db2.gz ZQABOMILGWCVEJ-LBPRGKRZSA-N 2 1 325.417 -1.085 20 0 EAADMP C[NH+]1CCN(c2ccc(N(C3C[NH2+]C3)S(C)(=O)=O)nn2)CC1 ZINC001165126764 793665154 /nfs/dbraw/zinc/66/51/54/793665154.db2.gz KUYZGNGNARJZDV-UHFFFAOYSA-N 2 1 326.426 -1.034 20 0 EAADMP C[NH+]1CCN(c2nccc(N(C3C[NH2+]C3)S(C)(=O)=O)n2)CC1 ZINC001165127890 793663885 /nfs/dbraw/zinc/66/38/85/793663885.db2.gz OTYWSJJTNNHWJF-UHFFFAOYSA-N 2 1 326.426 -1.034 20 0 EAADMP O=C1NCCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C12C[NH2+]C2 ZINC001165302445 793668187 /nfs/dbraw/zinc/66/81/87/793668187.db2.gz OXIPSHAUCNSATM-UHFFFAOYSA-N 2 1 345.407 -1.805 20 0 EAADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)CC[NH+](C)C)n1 ZINC001165781079 793674549 /nfs/dbraw/zinc/67/45/49/793674549.db2.gz FDVNIZUMDYYQEZ-UHFFFAOYSA-N 2 1 326.401 -1.094 20 0 EAADMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166634915 793684309 /nfs/dbraw/zinc/68/43/09/793684309.db2.gz YKTSSDWBKDIJSL-CYBMUJFWSA-N 2 1 339.440 -1.475 20 0 EAADMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166634916 793684014 /nfs/dbraw/zinc/68/40/14/793684014.db2.gz YKTSSDWBKDIJSL-ZDUSSCGKSA-N 2 1 339.440 -1.475 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001166668265 793683815 /nfs/dbraw/zinc/68/38/15/793683815.db2.gz XFZSNSHLXSYQEJ-CYBMUJFWSA-N 2 1 339.440 -1.618 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001166668266 793684098 /nfs/dbraw/zinc/68/40/98/793684098.db2.gz XFZSNSHLXSYQEJ-ZDUSSCGKSA-N 2 1 339.440 -1.618 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166677841 793683842 /nfs/dbraw/zinc/68/38/42/793683842.db2.gz OFWKRLYTPBDJCV-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166677842 793684641 /nfs/dbraw/zinc/68/46/41/793684641.db2.gz OFWKRLYTPBDJCV-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694543 793685522 /nfs/dbraw/zinc/68/55/22/793685522.db2.gz XTUYOEBKZGEKGF-NEPJUHHUSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694544 793686363 /nfs/dbraw/zinc/68/63/63/793686363.db2.gz XTUYOEBKZGEKGF-NWDGAFQWSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694545 793685442 /nfs/dbraw/zinc/68/54/42/793685442.db2.gz XTUYOEBKZGEKGF-RYUDHWBXSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166694546 793685554 /nfs/dbraw/zinc/68/55/54/793685554.db2.gz XTUYOEBKZGEKGF-VXGBXAGGSA-N 2 1 325.413 -1.168 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707294 793686299 /nfs/dbraw/zinc/68/62/99/793686299.db2.gz FJQSENAOUVXQNC-CHWSQXEVSA-N 2 1 339.440 -1.762 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707295 793685993 /nfs/dbraw/zinc/68/59/93/793685993.db2.gz FJQSENAOUVXQNC-OLZOCXBDSA-N 2 1 339.440 -1.762 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707296 793685112 /nfs/dbraw/zinc/68/51/12/793685112.db2.gz FJQSENAOUVXQNC-QWHCGFSZSA-N 2 1 339.440 -1.762 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001166707297 793685893 /nfs/dbraw/zinc/68/58/93/793685893.db2.gz FJQSENAOUVXQNC-STQMWFEESA-N 2 1 339.440 -1.762 20 0 EAADMP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001166966071 793690436 /nfs/dbraw/zinc/69/04/36/793690436.db2.gz BAZFXRYSVUEHGG-MFKMUULPSA-N 2 1 348.407 -1.005 20 0 EAADMP CN(c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)C1C[NH2+]C1 ZINC001166977338 793690369 /nfs/dbraw/zinc/69/03/69/793690369.db2.gz SSXOKIWLGCWNQI-UHFFFAOYSA-N 2 1 335.412 -1.047 20 0 EAADMP OC[C@H]1O[C@H](O)[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968193 785601436 /nfs/dbraw/zinc/60/14/36/785601436.db2.gz NUFLRGGGAGWRPQ-IAOFBZOJSA-N 2 1 342.436 -1.219 20 0 EAADMP OC[C@H]1O[C@@H](O)[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](O)[C@@H]1O ZINC001167968194 785602152 /nfs/dbraw/zinc/60/21/52/785602152.db2.gz NUFLRGGGAGWRPQ-OUUCUMNPSA-N 2 1 342.436 -1.219 20 0 EAADMP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168386092 785854564 /nfs/dbraw/zinc/85/45/64/785854564.db2.gz SOHQPCATTSYATP-UHFFFAOYSA-N 2 1 343.428 -1.220 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001168416733 785939393 /nfs/dbraw/zinc/93/93/93/785939393.db2.gz DGJFUBBERQVTGI-GFCCVEGCSA-N 2 1 326.397 -1.390 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001168416734 785940086 /nfs/dbraw/zinc/94/00/86/785940086.db2.gz DGJFUBBERQVTGI-LBPRGKRZSA-N 2 1 326.397 -1.390 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416868 785939164 /nfs/dbraw/zinc/93/91/64/785939164.db2.gz GFDCXIVZGGZLPP-UHFFFAOYSA-N 2 1 343.428 -1.350 20 0 EAADMP COCCCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416986 785939198 /nfs/dbraw/zinc/93/91/98/785939198.db2.gz KTAKZPJYWXATFX-UHFFFAOYSA-N 2 1 344.456 -1.043 20 0 EAADMP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417237 785939675 /nfs/dbraw/zinc/93/96/75/785939675.db2.gz OWUBPFVOMYXIIX-HNNXBMFYSA-N 2 1 347.456 -1.172 20 0 EAADMP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417238 785939705 /nfs/dbraw/zinc/93/97/05/785939705.db2.gz OWUBPFVOMYXIIX-OAHLLOKOSA-N 2 1 347.456 -1.172 20 0 EAADMP CCOCCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417268 785939091 /nfs/dbraw/zinc/93/90/91/785939091.db2.gz PNWHPMOCSKTYSU-UHFFFAOYSA-N 2 1 344.456 -1.043 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001168417317 785939686 /nfs/dbraw/zinc/93/96/86/785939686.db2.gz QUYAZCJTKLUODO-UHFFFAOYSA-N 2 1 342.440 -1.337 20 0 EAADMP CC(=O)NCCOCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417551 785940040 /nfs/dbraw/zinc/94/00/40/785940040.db2.gz UDOGRDFZCOJDDD-UHFFFAOYSA-N 2 1 344.456 -1.043 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168417789 785939988 /nfs/dbraw/zinc/93/99/88/785939988.db2.gz ZENMRKWAXLXCMI-UHFFFAOYSA-N 2 1 329.401 -1.740 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCN1CCNC1=O ZINC001168417809 785939414 /nfs/dbraw/zinc/93/94/14/785939414.db2.gz ZXLRLUVETLQIEO-UHFFFAOYSA-N 2 1 327.429 -1.170 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001168425068 785946741 /nfs/dbraw/zinc/94/67/41/785946741.db2.gz MILWFXAFPHKURC-UHFFFAOYSA-N 2 1 341.412 -1.644 20 0 EAADMP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168425791 785950208 /nfs/dbraw/zinc/95/02/08/785950208.db2.gz UYFNOBWFGBKEIJ-UHFFFAOYSA-N 2 1 336.458 -1.646 20 0 EAADMP C[C@@H]([NH2+]CCCNC(=O)CC[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001168441592 785976691 /nfs/dbraw/zinc/97/66/91/785976691.db2.gz GMQMZXDSSNVOTE-LLVKDONJSA-N 2 1 329.401 -1.612 20 0 EAADMP C[C@H]([NH2+]CCCNC(=O)CC[NH+]1CCOCC1)C(=O)NC(N)=O ZINC001168441593 785977086 /nfs/dbraw/zinc/97/70/86/785977086.db2.gz GMQMZXDSSNVOTE-NSHDSACASA-N 2 1 329.401 -1.612 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001168442090 785978221 /nfs/dbraw/zinc/97/82/21/785978221.db2.gz LRMQYECHMLUEIK-UHFFFAOYSA-N 2 1 340.424 -1.046 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442459 785978660 /nfs/dbraw/zinc/97/86/60/785978660.db2.gz SGSKNFXLUZLGKP-GFCCVEGCSA-N 2 1 343.428 -1.351 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168442462 785978934 /nfs/dbraw/zinc/97/89/34/785978934.db2.gz SGSKNFXLUZLGKP-LBPRGKRZSA-N 2 1 343.428 -1.351 20 0 EAADMP CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108337 786501928 /nfs/dbraw/zinc/50/19/28/786501928.db2.gz RLOMQMWMLIKZEP-CLLJXQQHSA-N 2 1 340.424 -1.003 20 0 EAADMP CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108338 786502696 /nfs/dbraw/zinc/50/26/96/786502696.db2.gz RLOMQMWMLIKZEP-XYYAHUGASA-N 2 1 340.424 -1.003 20 0 EAADMP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169992804 786600788 /nfs/dbraw/zinc/60/07/88/786600788.db2.gz XRIVGGRZNJWHNP-NEPJUHHUSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169992804 786600782 /nfs/dbraw/zinc/60/07/82/786600782.db2.gz XRIVGGRZNJWHNP-NEPJUHHUSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169992805 786601079 /nfs/dbraw/zinc/60/10/79/786601079.db2.gz XRIVGGRZNJWHNP-NWDGAFQWSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169992805 786601075 /nfs/dbraw/zinc/60/10/75/786601075.db2.gz XRIVGGRZNJWHNP-NWDGAFQWSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169992806 786602094 /nfs/dbraw/zinc/60/20/94/786602094.db2.gz XRIVGGRZNJWHNP-RYUDHWBXSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169992806 786602091 /nfs/dbraw/zinc/60/20/91/786602091.db2.gz XRIVGGRZNJWHNP-RYUDHWBXSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169992807 786601691 /nfs/dbraw/zinc/60/16/91/786601691.db2.gz XRIVGGRZNJWHNP-VXGBXAGGSA-N 2 1 343.428 -1.224 20 0 EAADMP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169992807 786601681 /nfs/dbraw/zinc/60/16/81/786601681.db2.gz XRIVGGRZNJWHNP-VXGBXAGGSA-N 2 1 343.428 -1.224 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001170211126 786781124 /nfs/dbraw/zinc/78/11/24/786781124.db2.gz KNMCAZNYNPQECZ-UHFFFAOYSA-N 2 1 327.429 -1.618 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001170221592 786781008 /nfs/dbraw/zinc/78/10/08/786781008.db2.gz FGWKKLIFDXVOLR-CYBMUJFWSA-N 2 1 342.440 -1.066 20 0 EAADMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001170221936 786781415 /nfs/dbraw/zinc/78/14/15/786781415.db2.gz FGWKKLIFDXVOLR-ZDUSSCGKSA-N 2 1 342.440 -1.066 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001171219235 787474055 /nfs/dbraw/zinc/47/40/55/787474055.db2.gz WJLFKGDTMCTLDZ-CYBMUJFWSA-N 2 1 339.440 -1.618 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001171219237 787474080 /nfs/dbraw/zinc/47/40/80/787474080.db2.gz WJLFKGDTMCTLDZ-ZDUSSCGKSA-N 2 1 339.440 -1.618 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001171226435 787475063 /nfs/dbraw/zinc/47/50/63/787475063.db2.gz GSTVFTQLUYGIHY-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001171226436 787475342 /nfs/dbraw/zinc/47/53/42/787475342.db2.gz GSTVFTQLUYGIHY-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP [NH3+]Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171261486 787498161 /nfs/dbraw/zinc/49/81/61/787498161.db2.gz MVSRGMQTTGIXIC-ICGCDAGXSA-N 2 1 348.363 -1.747 20 0 EAADMP [NH3+]Cc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171262738 787497773 /nfs/dbraw/zinc/49/77/73/787497773.db2.gz JBAACNBGSNPBMV-NMFUWQPSSA-N 2 1 347.375 -1.142 20 0 EAADMP Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(C)[nH+]1 ZINC001171264386 787497507 /nfs/dbraw/zinc/49/75/07/787497507.db2.gz CRMYSDHBOLZOKM-NMFUWQPSSA-N 2 1 347.375 -1.001 20 0 EAADMP [NH3+]Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccn1 ZINC001171264591 787499480 /nfs/dbraw/zinc/49/94/80/787499480.db2.gz NKLAVRPHLPQDLH-FMKGYKFTSA-N 2 1 348.363 -1.747 20 0 EAADMP [NH3+]Cc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171266118 787499547 /nfs/dbraw/zinc/49/95/47/787499547.db2.gz DCJGADJINOKRST-ICGCDAGXSA-N 2 1 348.363 -1.747 20 0 EAADMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171726031 787805939 /nfs/dbraw/zinc/80/59/39/787805939.db2.gz UPGUISPGQRIABB-UHFFFAOYSA-N 2 1 341.456 -1.227 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001171763278 787807899 /nfs/dbraw/zinc/80/78/99/787807899.db2.gz XHACMCWCXJDMLY-UHFFFAOYSA-N 2 1 327.429 -1.618 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001171769623 787807541 /nfs/dbraw/zinc/80/75/41/787807541.db2.gz AWJCUTSGSMISDZ-CYBMUJFWSA-N 2 1 342.440 -1.066 20 0 EAADMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001171769624 787807594 /nfs/dbraw/zinc/80/75/94/787807594.db2.gz AWJCUTSGSMISDZ-ZDUSSCGKSA-N 2 1 342.440 -1.066 20 0 EAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172111102 787809226 /nfs/dbraw/zinc/80/92/26/787809226.db2.gz RYAYMNGYAKDUIR-CNDDSTCGSA-N 2 1 325.413 -1.691 20 0 EAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172111102 787809211 /nfs/dbraw/zinc/80/92/11/787809211.db2.gz RYAYMNGYAKDUIR-CNDDSTCGSA-N 2 1 325.413 -1.691 20 0 EAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172111102 787809200 /nfs/dbraw/zinc/80/92/00/787809200.db2.gz RYAYMNGYAKDUIR-CNDDSTCGSA-N 2 1 325.413 -1.691 20 0 EAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172111103 787809613 /nfs/dbraw/zinc/80/96/13/787809613.db2.gz RYAYMNGYAKDUIR-ZSBIGDGJSA-N 2 1 325.413 -1.691 20 0 EAADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172111103 787809601 /nfs/dbraw/zinc/80/96/01/787809601.db2.gz RYAYMNGYAKDUIR-ZSBIGDGJSA-N 2 1 325.413 -1.691 20 0 EAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC(=O)NCC(=O)NCC(N)=O)C2 ZINC001172111103 787809591 /nfs/dbraw/zinc/80/95/91/787809591.db2.gz RYAYMNGYAKDUIR-ZSBIGDGJSA-N 2 1 325.413 -1.691 20 0 EAADMP CC[N@H+]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001173361800 787818672 /nfs/dbraw/zinc/81/86/72/787818672.db2.gz XRYFZHRCTUTCCX-NRFQWKTPSA-N 2 1 339.396 -1.839 20 0 EAADMP CC[N@@H+]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001173361800 787818659 /nfs/dbraw/zinc/81/86/59/787818659.db2.gz XRYFZHRCTUTCCX-NRFQWKTPSA-N 2 1 339.396 -1.839 20 0 EAADMP CC[N@H+]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001173361801 787819116 /nfs/dbraw/zinc/81/91/16/787819116.db2.gz XRYFZHRCTUTCCX-OMRXRXQOSA-N 2 1 339.396 -1.839 20 0 EAADMP CC[N@@H+]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001173361801 787819105 /nfs/dbraw/zinc/81/91/05/787819105.db2.gz XRYFZHRCTUTCCX-OMRXRXQOSA-N 2 1 339.396 -1.839 20 0 EAADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)C[C@@H]1C(=O)OC ZINC001173563928 787822975 /nfs/dbraw/zinc/82/29/75/787822975.db2.gz DSDNQYINAGVYBU-BTTYYORXSA-N 2 1 346.424 -1.007 20 0 EAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)C[C@@H]1C(=O)OC ZINC001173563933 787823359 /nfs/dbraw/zinc/82/33/59/787823359.db2.gz DSDNQYINAGVYBU-ZSOGYDGISA-N 2 1 346.424 -1.007 20 0 EAADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001176056013 787855237 /nfs/dbraw/zinc/85/52/37/787855237.db2.gz DELBLISSFZPYNP-LLVKDONJSA-N 2 1 338.412 -1.094 20 0 EAADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001176056013 787855225 /nfs/dbraw/zinc/85/52/25/787855225.db2.gz DELBLISSFZPYNP-LLVKDONJSA-N 2 1 338.412 -1.094 20 0 EAADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001176056014 787856126 /nfs/dbraw/zinc/85/61/26/787856126.db2.gz DELBLISSFZPYNP-NSHDSACASA-N 2 1 338.412 -1.094 20 0 EAADMP CNC(=O)Cc1noc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001176056014 787856119 /nfs/dbraw/zinc/85/61/19/787856119.db2.gz DELBLISSFZPYNP-NSHDSACASA-N 2 1 338.412 -1.094 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058380 787856056 /nfs/dbraw/zinc/85/60/56/787856056.db2.gz WHDOYXFZLCNXPP-CHWSQXEVSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058381 787856227 /nfs/dbraw/zinc/85/62/27/787856227.db2.gz WHDOYXFZLCNXPP-OLZOCXBDSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058382 787854691 /nfs/dbraw/zinc/85/46/91/787854691.db2.gz WHDOYXFZLCNXPP-QWHCGFSZSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001176058383 787854989 /nfs/dbraw/zinc/85/49/89/787854989.db2.gz WHDOYXFZLCNXPP-STQMWFEESA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001176058638 787856170 /nfs/dbraw/zinc/85/61/70/787856170.db2.gz ZLXUEVBYLLZQEA-GFCCVEGCSA-N 2 1 325.413 -1.024 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001176058640 787854776 /nfs/dbraw/zinc/85/47/76/787854776.db2.gz ZLXUEVBYLLZQEA-LBPRGKRZSA-N 2 1 325.413 -1.024 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001176071924 787853375 /nfs/dbraw/zinc/85/33/75/787853375.db2.gz KSOUDAIJSLYGGP-GFCCVEGCSA-N 2 1 325.413 -2.008 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001176071927 787853724 /nfs/dbraw/zinc/85/37/24/787853724.db2.gz KSOUDAIJSLYGGP-LBPRGKRZSA-N 2 1 325.413 -2.008 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176095845 787855872 /nfs/dbraw/zinc/85/58/72/787855872.db2.gz JHDFKXBVCVMKJJ-CHWSQXEVSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176095846 787856317 /nfs/dbraw/zinc/85/63/17/787856317.db2.gz JHDFKXBVCVMKJJ-OLZOCXBDSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176095847 787856185 /nfs/dbraw/zinc/85/61/85/787856185.db2.gz JHDFKXBVCVMKJJ-QWHCGFSZSA-N 2 1 341.456 -1.373 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)N(C)C ZINC001176095848 787855183 /nfs/dbraw/zinc/85/51/83/787855183.db2.gz JHDFKXBVCVMKJJ-STQMWFEESA-N 2 1 341.456 -1.373 20 0 EAADMP Cn1c(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001176096303 787855745 /nfs/dbraw/zinc/85/57/45/787855745.db2.gz OYLTYAZDQSZBRO-GFCCVEGCSA-N 2 1 337.424 -1.368 20 0 EAADMP Cn1c(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc(=O)n(C)c1=O ZINC001176096304 787855480 /nfs/dbraw/zinc/85/54/80/787855480.db2.gz OYLTYAZDQSZBRO-LBPRGKRZSA-N 2 1 337.424 -1.368 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176133485 787855796 /nfs/dbraw/zinc/85/57/96/787855796.db2.gz QVADUEZIZTWBJS-UHFFFAOYSA-N 2 1 336.396 -1.754 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001176146987 787855047 /nfs/dbraw/zinc/85/50/47/787855047.db2.gz FRHZHAZUYGMPMC-UHFFFAOYSA-N 2 1 348.407 -1.115 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176627091 787868144 /nfs/dbraw/zinc/86/81/44/787868144.db2.gz HXCKHWMTHPFAPH-CYBMUJFWSA-N 2 1 327.429 -1.172 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176627091 787868133 /nfs/dbraw/zinc/86/81/33/787868133.db2.gz HXCKHWMTHPFAPH-CYBMUJFWSA-N 2 1 327.429 -1.172 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176627094 787867525 /nfs/dbraw/zinc/86/75/25/787867525.db2.gz HXCKHWMTHPFAPH-ZDUSSCGKSA-N 2 1 327.429 -1.172 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001176627094 787867513 /nfs/dbraw/zinc/86/75/13/787867513.db2.gz HXCKHWMTHPFAPH-ZDUSSCGKSA-N 2 1 327.429 -1.172 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001176627152 787867464 /nfs/dbraw/zinc/86/74/64/787867464.db2.gz IUXUQUGBJDAHKT-CABCVRRESA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001176627152 787867452 /nfs/dbraw/zinc/86/74/52/787867452.db2.gz IUXUQUGBJDAHKT-CABCVRRESA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001176627184 787867684 /nfs/dbraw/zinc/86/76/84/787867684.db2.gz IUXUQUGBJDAHKT-GJZGRUSLSA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001176627184 787867672 /nfs/dbraw/zinc/86/76/72/787867672.db2.gz IUXUQUGBJDAHKT-GJZGRUSLSA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001176627188 787867905 /nfs/dbraw/zinc/86/79/05/787867905.db2.gz IUXUQUGBJDAHKT-HUUCEWRRSA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001176627188 787867894 /nfs/dbraw/zinc/86/78/94/787867894.db2.gz IUXUQUGBJDAHKT-HUUCEWRRSA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001176627190 787867623 /nfs/dbraw/zinc/86/76/23/787867623.db2.gz IUXUQUGBJDAHKT-LSDHHAIUSA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001176627190 787867613 /nfs/dbraw/zinc/86/76/13/787867613.db2.gz IUXUQUGBJDAHKT-LSDHHAIUSA-N 2 1 347.456 -1.173 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)C1 ZINC001176628463 787868108 /nfs/dbraw/zinc/86/81/08/787868108.db2.gz UMSKZRMRRKTBPR-HNNXBMFYSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)C1 ZINC001176628463 787868098 /nfs/dbraw/zinc/86/80/98/787868098.db2.gz UMSKZRMRRKTBPR-HNNXBMFYSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)C1 ZINC001176628464 787867647 /nfs/dbraw/zinc/86/76/47/787867647.db2.gz UMSKZRMRRKTBPR-OAHLLOKOSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)C1 ZINC001176628464 787867643 /nfs/dbraw/zinc/86/76/43/787867643.db2.gz UMSKZRMRRKTBPR-OAHLLOKOSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001176643373 787869652 /nfs/dbraw/zinc/86/96/52/787869652.db2.gz DIOHHCVIKPJRJE-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001176643373 787869641 /nfs/dbraw/zinc/86/96/41/787869641.db2.gz DIOHHCVIKPJRJE-LLVKDONJSA-N 2 1 329.401 -1.741 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001176643377 787868599 /nfs/dbraw/zinc/86/85/99/787868599.db2.gz DIOHHCVIKPJRJE-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001176643377 787868589 /nfs/dbraw/zinc/86/85/89/787868589.db2.gz DIOHHCVIKPJRJE-NSHDSACASA-N 2 1 329.401 -1.741 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)C1 ZINC001176643652 787869509 /nfs/dbraw/zinc/86/95/09/787869509.db2.gz FESIJWSHSWSLEH-AWEZNQCLSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)C1 ZINC001176643652 787869499 /nfs/dbraw/zinc/86/94/99/787869499.db2.gz FESIJWSHSWSLEH-AWEZNQCLSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)C1 ZINC001176643653 787869571 /nfs/dbraw/zinc/86/95/71/787869571.db2.gz FESIJWSHSWSLEH-CQSZACIVSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)C1 ZINC001176643653 787869560 /nfs/dbraw/zinc/86/95/60/787869560.db2.gz FESIJWSHSWSLEH-CQSZACIVSA-N 2 1 344.456 -1.044 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176643728 787868981 /nfs/dbraw/zinc/86/89/81/787868981.db2.gz GWQNKYUHPMBWFU-NEPJUHHUSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176643728 787868970 /nfs/dbraw/zinc/86/89/70/787868970.db2.gz GWQNKYUHPMBWFU-NEPJUHHUSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176643729 787869043 /nfs/dbraw/zinc/86/90/43/787869043.db2.gz GWQNKYUHPMBWFU-NWDGAFQWSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176643729 787869032 /nfs/dbraw/zinc/86/90/32/787869032.db2.gz GWQNKYUHPMBWFU-NWDGAFQWSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176643730 787869479 /nfs/dbraw/zinc/86/94/79/787869479.db2.gz GWQNKYUHPMBWFU-RYUDHWBXSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001176643730 787869472 /nfs/dbraw/zinc/86/94/72/787869472.db2.gz GWQNKYUHPMBWFU-RYUDHWBXSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176643731 787868668 /nfs/dbraw/zinc/86/86/68/787868668.db2.gz GWQNKYUHPMBWFU-VXGBXAGGSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001176643731 787868661 /nfs/dbraw/zinc/86/86/61/787868661.db2.gz GWQNKYUHPMBWFU-VXGBXAGGSA-N 2 1 326.397 -1.392 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001176972344 787885007 /nfs/dbraw/zinc/88/50/07/787885007.db2.gz XINQXVNOHDJJJY-UHFFFAOYSA-N 2 1 327.429 -1.619 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)CN1C(=O)CCC1=O ZINC001176975057 787885319 /nfs/dbraw/zinc/88/53/19/787885319.db2.gz JMPZWBQMRRPBRT-CYBMUJFWSA-N 2 1 342.440 -1.068 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CN1C(=O)CCC1=O ZINC001176975058 787884954 /nfs/dbraw/zinc/88/49/54/787884954.db2.gz JMPZWBQMRRPBRT-ZDUSSCGKSA-N 2 1 342.440 -1.068 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178107666 787917223 /nfs/dbraw/zinc/91/72/23/787917223.db2.gz VMYJPVLFTDWMKH-GFCCVEGCSA-N 2 1 343.428 -1.222 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178107666 787917220 /nfs/dbraw/zinc/91/72/20/787917220.db2.gz VMYJPVLFTDWMKH-GFCCVEGCSA-N 2 1 343.428 -1.222 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178107667 787917077 /nfs/dbraw/zinc/91/70/77/787917077.db2.gz VMYJPVLFTDWMKH-LBPRGKRZSA-N 2 1 343.428 -1.222 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001178107667 787917073 /nfs/dbraw/zinc/91/70/73/787917073.db2.gz VMYJPVLFTDWMKH-LBPRGKRZSA-N 2 1 343.428 -1.222 20 0 EAADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178983022 787938877 /nfs/dbraw/zinc/93/88/77/787938877.db2.gz VZYYYEFSAYGXHO-NOOOWODRSA-N 2 1 341.412 -1.521 20 0 EAADMP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178983022 787938872 /nfs/dbraw/zinc/93/88/72/787938872.db2.gz VZYYYEFSAYGXHO-NOOOWODRSA-N 2 1 341.412 -1.521 20 0 EAADMP C[C@H]1[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)COCC[NH+](C)C ZINC001179929063 787954297 /nfs/dbraw/zinc/95/42/97/787954297.db2.gz AOPWJJBPEHJVGV-RYUDHWBXSA-N 2 1 325.417 -1.133 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124742 787959176 /nfs/dbraw/zinc/95/91/76/787959176.db2.gz PXPAEOPCDIXIGB-SRVKXCTJSA-N 2 1 325.413 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124743 787959016 /nfs/dbraw/zinc/95/90/16/787959016.db2.gz PXPAEOPCDIXIGB-TUAOUCFPSA-N 2 1 325.413 -1.027 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001180182860 787959998 /nfs/dbraw/zinc/95/99/98/787959998.db2.gz RFEUKBCEPNRIJJ-SDDRHHMPSA-N 2 1 341.412 -1.519 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001180182860 787959996 /nfs/dbraw/zinc/95/99/96/787959996.db2.gz RFEUKBCEPNRIJJ-SDDRHHMPSA-N 2 1 341.412 -1.519 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001180182861 787959620 /nfs/dbraw/zinc/95/96/20/787959620.db2.gz RFEUKBCEPNRIJJ-SRVKXCTJSA-N 2 1 341.412 -1.519 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001180182861 787959614 /nfs/dbraw/zinc/95/96/14/787959614.db2.gz RFEUKBCEPNRIJJ-SRVKXCTJSA-N 2 1 341.412 -1.519 20 0 EAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCS(=O)(=O)CC1 ZINC001180597527 787968747 /nfs/dbraw/zinc/96/87/47/787968747.db2.gz PPOXXBGOLMGGGH-UHFFFAOYSA-N 2 1 333.458 -1.219 20 0 EAADMP NC(=O)C1CC[NH+](CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)CC1 ZINC001180612292 787970385 /nfs/dbraw/zinc/97/03/85/787970385.db2.gz VSXFAQVCBXXUBB-DYEKYZERSA-N 2 1 325.417 -2.907 20 0 EAADMP NC(=O)C1CC[NH+](CCC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)CC1 ZINC001180612295 787970036 /nfs/dbraw/zinc/97/00/36/787970036.db2.gz VSXFAQVCBXXUBB-MBNYWOFBSA-N 2 1 325.417 -2.907 20 0 EAADMP NC(=O)C1CC[NH+](CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)CC1 ZINC001180612296 787970652 /nfs/dbraw/zinc/97/06/52/787970652.db2.gz VSXFAQVCBXXUBB-OBJOEFQTSA-N 2 1 325.417 -2.907 20 0 EAADMP NC(=O)C1CC[NH+](CCC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)CC1 ZINC001180612297 787970080 /nfs/dbraw/zinc/97/00/80/787970080.db2.gz VSXFAQVCBXXUBB-SGMGOOAPSA-N 2 1 325.417 -2.907 20 0 EAADMP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181821540 789668892 /nfs/dbraw/zinc/66/88/92/789668892.db2.gz BFLPYTXDYAQKMC-CABCVRRESA-N 2 1 342.440 -1.340 20 0 EAADMP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181821540 789668889 /nfs/dbraw/zinc/66/88/89/789668889.db2.gz BFLPYTXDYAQKMC-CABCVRRESA-N 2 1 342.440 -1.340 20 0 EAADMP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181821541 789669511 /nfs/dbraw/zinc/66/95/11/789669511.db2.gz BFLPYTXDYAQKMC-HUUCEWRRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181821541 789669507 /nfs/dbraw/zinc/66/95/07/789669507.db2.gz BFLPYTXDYAQKMC-HUUCEWRRSA-N 2 1 342.440 -1.340 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001181821942 789668032 /nfs/dbraw/zinc/66/80/32/789668032.db2.gz KDQASELTJIISBI-NEPJUHHUSA-N 2 1 334.442 -1.943 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001181821942 789668024 /nfs/dbraw/zinc/66/80/24/789668024.db2.gz KDQASELTJIISBI-NEPJUHHUSA-N 2 1 334.442 -1.943 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001181821943 789669466 /nfs/dbraw/zinc/66/94/66/789669466.db2.gz KDQASELTJIISBI-VXGBXAGGSA-N 2 1 334.442 -1.943 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001181821943 789669465 /nfs/dbraw/zinc/66/94/65/789669465.db2.gz KDQASELTJIISBI-VXGBXAGGSA-N 2 1 334.442 -1.943 20 0 EAADMP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1)S(C)(=O)=O ZINC001181822121 789669064 /nfs/dbraw/zinc/66/90/64/789669064.db2.gz NGPSEKFJWCBJNQ-CHWSQXEVSA-N 2 1 348.469 -1.601 20 0 EAADMP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1)S(C)(=O)=O ZINC001181822121 789669060 /nfs/dbraw/zinc/66/90/60/789669060.db2.gz NGPSEKFJWCBJNQ-CHWSQXEVSA-N 2 1 348.469 -1.601 20 0 EAADMP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1)S(C)(=O)=O ZINC001181822122 789667887 /nfs/dbraw/zinc/66/78/87/789667887.db2.gz NGPSEKFJWCBJNQ-OLZOCXBDSA-N 2 1 348.469 -1.601 20 0 EAADMP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1)S(C)(=O)=O ZINC001181822122 789667877 /nfs/dbraw/zinc/66/78/77/789667877.db2.gz NGPSEKFJWCBJNQ-OLZOCXBDSA-N 2 1 348.469 -1.601 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181822627 789668803 /nfs/dbraw/zinc/66/88/03/789668803.db2.gz SMWZRQUSLKRJMK-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181822627 789668797 /nfs/dbraw/zinc/66/87/97/789668797.db2.gz SMWZRQUSLKRJMK-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181822635 789669347 /nfs/dbraw/zinc/66/93/47/789669347.db2.gz SMWZRQUSLKRJMK-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181822635 789669342 /nfs/dbraw/zinc/66/93/42/789669342.db2.gz SMWZRQUSLKRJMK-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001181822880 789669160 /nfs/dbraw/zinc/66/91/60/789669160.db2.gz WGZXXWDRXKTDMJ-CHWSQXEVSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001181822880 789669154 /nfs/dbraw/zinc/66/91/54/789669154.db2.gz WGZXXWDRXKTDMJ-CHWSQXEVSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001181822882 789669117 /nfs/dbraw/zinc/66/91/17/789669117.db2.gz WGZXXWDRXKTDMJ-OLZOCXBDSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001181822882 789669113 /nfs/dbraw/zinc/66/91/13/789669113.db2.gz WGZXXWDRXKTDMJ-OLZOCXBDSA-N 2 1 333.454 -1.058 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676341 789693091 /nfs/dbraw/zinc/69/30/91/789693091.db2.gz IJOAGESMJAGJJZ-IJLUTSLNSA-N 2 1 325.413 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576284 790332565 /nfs/dbraw/zinc/33/25/65/790332565.db2.gz KADIDDHTSHUAAP-IJLUTSLNSA-N 2 1 341.412 -1.648 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576284 790332559 /nfs/dbraw/zinc/33/25/59/790332559.db2.gz KADIDDHTSHUAAP-IJLUTSLNSA-N 2 1 341.412 -1.648 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)O1 ZINC001183577052 790332872 /nfs/dbraw/zinc/33/28/72/790332872.db2.gz WGGIYCOAOVTNDI-JHJVBQTASA-N 2 1 333.454 -1.059 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)O1 ZINC001183577052 790332860 /nfs/dbraw/zinc/33/28/60/790332860.db2.gz WGGIYCOAOVTNDI-JHJVBQTASA-N 2 1 333.454 -1.059 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001183577093 790332056 /nfs/dbraw/zinc/33/20/56/790332056.db2.gz YSZMBTFIPRSVQK-GMTAPVOTSA-N 2 1 327.385 -1.909 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001183577093 790332043 /nfs/dbraw/zinc/33/20/43/790332043.db2.gz YSZMBTFIPRSVQK-GMTAPVOTSA-N 2 1 327.385 -1.909 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001183581877 790331772 /nfs/dbraw/zinc/33/17/72/790331772.db2.gz NTGBHXHAPKXOIW-JHJVBQTASA-N 2 1 348.469 -1.555 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)O1 ZINC001183581877 790331760 /nfs/dbraw/zinc/33/17/60/790331760.db2.gz NTGBHXHAPKXOIW-JHJVBQTASA-N 2 1 348.469 -1.555 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001184309254 790363039 /nfs/dbraw/zinc/36/30/39/790363039.db2.gz ATHYTFQHMSQIJZ-GFCCVEGCSA-N 2 1 329.426 -1.069 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185137003 790388679 /nfs/dbraw/zinc/38/86/79/790388679.db2.gz PBKRHXBUMIRZKP-NEPJUHHUSA-N 2 1 341.412 -1.519 20 0 EAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185137003 790388669 /nfs/dbraw/zinc/38/86/69/790388669.db2.gz PBKRHXBUMIRZKP-NEPJUHHUSA-N 2 1 341.412 -1.519 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185137004 790388960 /nfs/dbraw/zinc/38/89/60/790388960.db2.gz PBKRHXBUMIRZKP-VXGBXAGGSA-N 2 1 341.412 -1.519 20 0 EAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185137004 790388951 /nfs/dbraw/zinc/38/89/51/790388951.db2.gz PBKRHXBUMIRZKP-VXGBXAGGSA-N 2 1 341.412 -1.519 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659718 790402877 /nfs/dbraw/zinc/40/28/77/790402877.db2.gz PDVOUOAFNIPTLU-NWDGAFQWSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659719 790403682 /nfs/dbraw/zinc/40/36/82/790403682.db2.gz PDVOUOAFNIPTLU-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186116567 790421847 /nfs/dbraw/zinc/42/18/47/790421847.db2.gz HRISFCJZCJPJBC-JTQLQIEISA-N 2 1 332.361 -1.854 20 0 EAADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001186116567 790421840 /nfs/dbraw/zinc/42/18/40/790421840.db2.gz HRISFCJZCJPJBC-JTQLQIEISA-N 2 1 332.361 -1.854 20 0 EAADMP CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355550 790432692 /nfs/dbraw/zinc/43/26/92/790432692.db2.gz GFFFFUOIFPEEFD-CYBMUJFWSA-N 2 1 333.454 -1.056 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355632 790432222 /nfs/dbraw/zinc/43/22/22/790432222.db2.gz KFPKOKANNSPGLM-GFCCVEGCSA-N 2 1 341.412 -1.645 20 0 EAADMP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355840 790432774 /nfs/dbraw/zinc/43/27/74/790432774.db2.gz PGCQIDWDMSSPAJ-LLVKDONJSA-N 2 1 327.385 -1.906 20 0 EAADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(=O)NC(N)=O ZINC001186367339 790432842 /nfs/dbraw/zinc/43/28/42/790432842.db2.gz VUXVGVAYQYSIFK-NWDGAFQWSA-N 2 1 341.412 -1.517 20 0 EAADMP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1)C(=O)NC(N)=O ZINC001186367340 790432548 /nfs/dbraw/zinc/43/25/48/790432548.db2.gz VUXVGVAYQYSIFK-VXGBXAGGSA-N 2 1 341.412 -1.517 20 0 EAADMP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186367402 790432734 /nfs/dbraw/zinc/43/27/34/790432734.db2.gz YSSVFMAKKPHDGW-CYBMUJFWSA-N 2 1 348.469 -1.552 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001186824990 790453942 /nfs/dbraw/zinc/45/39/42/790453942.db2.gz TVXPGRHRJUFSRO-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187107261 790461808 /nfs/dbraw/zinc/46/18/08/790461808.db2.gz ZGFYVXQBOZFKHT-NWDGAFQWSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187107262 790462364 /nfs/dbraw/zinc/46/23/64/790462364.db2.gz ZGFYVXQBOZFKHT-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001187291589 790466044 /nfs/dbraw/zinc/46/60/44/790466044.db2.gz VYWZIFBMMOIKCY-CYBMUJFWSA-N 2 1 339.440 -1.523 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187851032 790490699 /nfs/dbraw/zinc/49/06/99/790490699.db2.gz MFXJRXNAAVPMPQ-GFCCVEGCSA-N 2 1 329.426 -1.069 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001187981885 790500183 /nfs/dbraw/zinc/50/01/83/790500183.db2.gz CFHPSHZTRUYRFV-CHWSQXEVSA-N 2 1 333.454 -1.058 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001187981885 790500175 /nfs/dbraw/zinc/50/01/75/790500175.db2.gz CFHPSHZTRUYRFV-CHWSQXEVSA-N 2 1 333.454 -1.058 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001187981886 790499000 /nfs/dbraw/zinc/49/90/00/790499000.db2.gz CFHPSHZTRUYRFV-OLZOCXBDSA-N 2 1 333.454 -1.058 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001187981886 790498995 /nfs/dbraw/zinc/49/89/95/790498995.db2.gz CFHPSHZTRUYRFV-OLZOCXBDSA-N 2 1 333.454 -1.058 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187982186 790499250 /nfs/dbraw/zinc/49/92/50/790499250.db2.gz HBQLXAGSBOAIBP-GHMZBOCLSA-N 2 1 327.385 -1.908 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187982186 790499243 /nfs/dbraw/zinc/49/92/43/790499243.db2.gz HBQLXAGSBOAIBP-GHMZBOCLSA-N 2 1 327.385 -1.908 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187982187 790500622 /nfs/dbraw/zinc/50/06/22/790500622.db2.gz HBQLXAGSBOAIBP-MNOVXSKESA-N 2 1 327.385 -1.908 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001187982187 790500614 /nfs/dbraw/zinc/50/06/14/790500614.db2.gz HBQLXAGSBOAIBP-MNOVXSKESA-N 2 1 327.385 -1.908 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001187982196 790499992 /nfs/dbraw/zinc/49/99/92/790499992.db2.gz HJUWJGAJOHJLSN-NEPJUHHUSA-N 2 1 341.412 -1.647 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001187982196 790499987 /nfs/dbraw/zinc/49/99/87/790499987.db2.gz HJUWJGAJOHJLSN-NEPJUHHUSA-N 2 1 341.412 -1.647 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001187982199 790499748 /nfs/dbraw/zinc/49/97/48/790499748.db2.gz HJUWJGAJOHJLSN-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)C1 ZINC001187982199 790499741 /nfs/dbraw/zinc/49/97/41/790499741.db2.gz HJUWJGAJOHJLSN-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187982399 790500279 /nfs/dbraw/zinc/50/02/79/790500279.db2.gz JYQIEEYBARDLSD-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187982399 790500271 /nfs/dbraw/zinc/50/02/71/790500271.db2.gz JYQIEEYBARDLSD-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187982400 790500362 /nfs/dbraw/zinc/50/03/62/790500362.db2.gz JYQIEEYBARDLSD-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187982400 790500359 /nfs/dbraw/zinc/50/03/59/790500359.db2.gz JYQIEEYBARDLSD-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCNC(=O)C2)C1 ZINC001188146170 790508112 /nfs/dbraw/zinc/50/81/12/790508112.db2.gz XBRPJOVHCXFQEC-CYBMUJFWSA-N 2 1 339.440 -1.525 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040928 790539734 /nfs/dbraw/zinc/53/97/34/790539734.db2.gz KCKRQZOEWHMZON-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040928 790539726 /nfs/dbraw/zinc/53/97/26/790539726.db2.gz KCKRQZOEWHMZON-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189801579 790565069 /nfs/dbraw/zinc/56/50/69/790565069.db2.gz IBCTWAUBJZIXGI-NWDGAFQWSA-N 2 1 341.412 -1.708 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@H]21 ZINC001189801579 790565064 /nfs/dbraw/zinc/56/50/64/790565064.db2.gz IBCTWAUBJZIXGI-NWDGAFQWSA-N 2 1 341.412 -1.708 20 0 EAADMP NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802388 790565116 /nfs/dbraw/zinc/56/51/16/790565116.db2.gz XZDIPUHMVUQSRG-NWDGAFQWSA-N 2 1 335.408 -1.190 20 0 EAADMP NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802388 790565108 /nfs/dbraw/zinc/56/51/08/790565108.db2.gz XZDIPUHMVUQSRG-NWDGAFQWSA-N 2 1 335.408 -1.190 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC001192162563 790724291 /nfs/dbraw/zinc/72/42/91/790724291.db2.gz QMAYKEQBNUNABZ-CYBMUJFWSA-N 2 1 339.440 -1.571 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC001192162563 790724288 /nfs/dbraw/zinc/72/42/88/790724288.db2.gz QMAYKEQBNUNABZ-CYBMUJFWSA-N 2 1 339.440 -1.571 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC001192162564 790724499 /nfs/dbraw/zinc/72/44/99/790724499.db2.gz QMAYKEQBNUNABZ-ZDUSSCGKSA-N 2 1 339.440 -1.571 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCNC(=O)C2)C1 ZINC001192162564 790724492 /nfs/dbraw/zinc/72/44/92/790724492.db2.gz QMAYKEQBNUNABZ-ZDUSSCGKSA-N 2 1 339.440 -1.571 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001193016219 790809747 /nfs/dbraw/zinc/80/97/47/790809747.db2.gz VJXLPSOPBZQXBH-RBSFLKMASA-N 2 1 327.425 -1.502 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001193016219 790809734 /nfs/dbraw/zinc/80/97/34/790809734.db2.gz VJXLPSOPBZQXBH-RBSFLKMASA-N 2 1 327.425 -1.502 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001193016220 790810421 /nfs/dbraw/zinc/81/04/21/790810421.db2.gz VJXLPSOPBZQXBH-RRFJBIMHSA-N 2 1 327.425 -1.502 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001193016220 790810412 /nfs/dbraw/zinc/81/04/12/790810412.db2.gz VJXLPSOPBZQXBH-RRFJBIMHSA-N 2 1 327.425 -1.502 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC[NH+]1C ZINC001193084698 790813221 /nfs/dbraw/zinc/81/32/21/790813221.db2.gz AXBDLIAFOIXFOX-GBJTYRQASA-N 2 1 329.441 -1.113 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC[NH+]1C ZINC001193084698 790813208 /nfs/dbraw/zinc/81/32/08/790813208.db2.gz AXBDLIAFOIXFOX-GBJTYRQASA-N 2 1 329.441 -1.113 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)CC[N@H+]1C ZINC001193084698 790813194 /nfs/dbraw/zinc/81/31/94/790813194.db2.gz AXBDLIAFOIXFOX-GBJTYRQASA-N 2 1 329.441 -1.113 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)CC[N@@H+]1C ZINC001193084698 790813181 /nfs/dbraw/zinc/81/31/81/790813181.db2.gz AXBDLIAFOIXFOX-GBJTYRQASA-N 2 1 329.441 -1.113 20 0 EAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193447159 790844153 /nfs/dbraw/zinc/84/41/53/790844153.db2.gz LCISIRKYENYCBC-BFHYXJOUSA-N 2 1 335.420 -1.164 20 0 EAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193447159 790844137 /nfs/dbraw/zinc/84/41/37/790844137.db2.gz LCISIRKYENYCBC-BFHYXJOUSA-N 2 1 335.420 -1.164 20 0 EAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001193447160 790845916 /nfs/dbraw/zinc/84/59/16/790845916.db2.gz LCISIRKYENYCBC-MGPQQGTHSA-N 2 1 335.420 -1.164 20 0 EAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001193447160 790845902 /nfs/dbraw/zinc/84/59/02/790845902.db2.gz LCISIRKYENYCBC-MGPQQGTHSA-N 2 1 335.420 -1.164 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488026 790861158 /nfs/dbraw/zinc/86/11/58/790861158.db2.gz KYGNXYWTSIKGGD-NEPJUHHUSA-N 2 1 343.428 -1.319 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488027 790860734 /nfs/dbraw/zinc/86/07/34/790860734.db2.gz KYGNXYWTSIKGGD-NWDGAFQWSA-N 2 1 343.428 -1.319 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488028 790861199 /nfs/dbraw/zinc/86/11/99/790861199.db2.gz KYGNXYWTSIKGGD-RYUDHWBXSA-N 2 1 343.428 -1.319 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488029 790859325 /nfs/dbraw/zinc/85/93/25/790859325.db2.gz KYGNXYWTSIKGGD-VXGBXAGGSA-N 2 1 343.428 -1.319 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193489004 790859232 /nfs/dbraw/zinc/85/92/32/790859232.db2.gz RJGQTMCKSVAYGC-LLVKDONJSA-N 2 1 329.401 -1.708 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193489004 790859219 /nfs/dbraw/zinc/85/92/19/790859219.db2.gz RJGQTMCKSVAYGC-LLVKDONJSA-N 2 1 329.401 -1.708 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001193489025 790860190 /nfs/dbraw/zinc/86/01/90/790860190.db2.gz RJGQTMCKSVAYGC-NSHDSACASA-N 2 1 329.401 -1.708 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001193489025 790860175 /nfs/dbraw/zinc/86/01/75/790860175.db2.gz RJGQTMCKSVAYGC-NSHDSACASA-N 2 1 329.401 -1.708 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001193489255 790861774 /nfs/dbraw/zinc/86/17/74/790861774.db2.gz VFEOEIHVTGFCGF-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001193489256 790862274 /nfs/dbraw/zinc/86/22/74/790862274.db2.gz VFEOEIHVTGFCGF-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001193489257 790860499 /nfs/dbraw/zinc/86/04/99/790860499.db2.gz VFEOEIHVTGFCGF-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001193489258 790860874 /nfs/dbraw/zinc/86/08/74/790860874.db2.gz VFEOEIHVTGFCGF-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489508 790860936 /nfs/dbraw/zinc/86/09/36/790860936.db2.gz XUNVZVVYDPUUKN-GFCCVEGCSA-N 2 1 343.428 -1.447 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489508 790860925 /nfs/dbraw/zinc/86/09/25/790860925.db2.gz XUNVZVVYDPUUKN-GFCCVEGCSA-N 2 1 343.428 -1.447 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489510 790859271 /nfs/dbraw/zinc/85/92/71/790859271.db2.gz XUNVZVVYDPUUKN-LBPRGKRZSA-N 2 1 343.428 -1.447 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489510 790859255 /nfs/dbraw/zinc/85/92/55/790859255.db2.gz XUNVZVVYDPUUKN-LBPRGKRZSA-N 2 1 343.428 -1.447 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002526 790912522 /nfs/dbraw/zinc/91/25/22/790912522.db2.gz TYKJCCGOVSQDMX-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002526 790912511 /nfs/dbraw/zinc/91/25/11/790912511.db2.gz TYKJCCGOVSQDMX-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002526 790912500 /nfs/dbraw/zinc/91/25/00/790912500.db2.gz TYKJCCGOVSQDMX-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002526 790912493 /nfs/dbraw/zinc/91/24/93/790912493.db2.gz TYKJCCGOVSQDMX-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002528 790913126 /nfs/dbraw/zinc/91/31/26/790913126.db2.gz TYKJCCGOVSQDMX-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002528 790913118 /nfs/dbraw/zinc/91/31/18/790913118.db2.gz TYKJCCGOVSQDMX-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002528 790913113 /nfs/dbraw/zinc/91/31/13/790913113.db2.gz TYKJCCGOVSQDMX-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002528 790913103 /nfs/dbraw/zinc/91/31/03/790913103.db2.gz TYKJCCGOVSQDMX-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002530 790912154 /nfs/dbraw/zinc/91/21/54/790912154.db2.gz TYKJCCGOVSQDMX-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002530 790912146 /nfs/dbraw/zinc/91/21/46/790912146.db2.gz TYKJCCGOVSQDMX-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002530 790912135 /nfs/dbraw/zinc/91/21/35/790912135.db2.gz TYKJCCGOVSQDMX-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002530 790912128 /nfs/dbraw/zinc/91/21/28/790912128.db2.gz TYKJCCGOVSQDMX-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002531 790913446 /nfs/dbraw/zinc/91/34/46/790913446.db2.gz TYKJCCGOVSQDMX-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002531 790913441 /nfs/dbraw/zinc/91/34/41/790913441.db2.gz TYKJCCGOVSQDMX-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002531 790913435 /nfs/dbraw/zinc/91/34/35/790913435.db2.gz TYKJCCGOVSQDMX-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002531 790913431 /nfs/dbraw/zinc/91/34/31/790913431.db2.gz TYKJCCGOVSQDMX-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O)[NH+](C)C ZINC001194095714 790927319 /nfs/dbraw/zinc/92/73/19/790927319.db2.gz MPNRFMJXFSLPDA-RBSFLKMASA-N 2 1 344.456 -1.359 20 0 EAADMP C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102105 790926750 /nfs/dbraw/zinc/92/67/50/790926750.db2.gz BTWPXXZZBYNVDU-BFHYXJOUSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102106 790927002 /nfs/dbraw/zinc/92/70/02/790927002.db2.gz BTWPXXZZBYNVDU-MGPQQGTHSA-N 2 1 329.441 -1.113 20 0 EAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001194103378 790925975 /nfs/dbraw/zinc/92/59/75/790925975.db2.gz ZBLTXXNHTUXGBI-ZIAGYGMSSA-N 2 1 329.441 -1.112 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399431 790951523 /nfs/dbraw/zinc/95/15/23/790951523.db2.gz CPUYIHHODALUQD-BFHYXJOUSA-N 2 1 327.425 -1.217 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399431 790951515 /nfs/dbraw/zinc/95/15/15/790951515.db2.gz CPUYIHHODALUQD-BFHYXJOUSA-N 2 1 327.425 -1.217 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399432 790951318 /nfs/dbraw/zinc/95/13/18/790951318.db2.gz CPUYIHHODALUQD-MGPQQGTHSA-N 2 1 327.425 -1.217 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399432 790951312 /nfs/dbraw/zinc/95/13/12/790951312.db2.gz CPUYIHHODALUQD-MGPQQGTHSA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399645 790951643 /nfs/dbraw/zinc/95/16/43/790951643.db2.gz OAZAVKNMQWDFGC-ZIAGYGMSSA-N 2 1 327.425 -1.215 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001194399645 790951633 /nfs/dbraw/zinc/95/16/33/790951633.db2.gz OAZAVKNMQWDFGC-ZIAGYGMSSA-N 2 1 327.425 -1.215 20 0 EAADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001195594682 791020842 /nfs/dbraw/zinc/02/08/42/791020842.db2.gz UCIGAWIEQZQCOG-BTFPBAQTSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001195594682 791020833 /nfs/dbraw/zinc/02/08/33/791020833.db2.gz UCIGAWIEQZQCOG-BTFPBAQTSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195594682 791020818 /nfs/dbraw/zinc/02/08/18/791020818.db2.gz UCIGAWIEQZQCOG-BTFPBAQTSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001195594684 791020106 /nfs/dbraw/zinc/02/01/06/791020106.db2.gz UCIGAWIEQZQCOG-VQJWOFKYSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001195594684 791020100 /nfs/dbraw/zinc/02/01/00/791020100.db2.gz UCIGAWIEQZQCOG-VQJWOFKYSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001195594684 791020094 /nfs/dbraw/zinc/02/00/94/791020094.db2.gz UCIGAWIEQZQCOG-VQJWOFKYSA-N 2 1 329.441 -1.115 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC[NH+]1C ZINC001195594929 791022221 /nfs/dbraw/zinc/02/22/21/791022221.db2.gz WECSNWPVBVWFHJ-BYNSBNAKSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC[NH+]1C ZINC001195594929 791022213 /nfs/dbraw/zinc/02/22/13/791022213.db2.gz WECSNWPVBVWFHJ-BYNSBNAKSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)CC[N@H+]1C ZINC001195594929 791022203 /nfs/dbraw/zinc/02/22/03/791022203.db2.gz WECSNWPVBVWFHJ-BYNSBNAKSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2O)CC[N@@H+]1C ZINC001195594929 791022194 /nfs/dbraw/zinc/02/21/94/791022194.db2.gz WECSNWPVBVWFHJ-BYNSBNAKSA-N 2 1 329.441 -1.113 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001195677556 791027928 /nfs/dbraw/zinc/02/79/28/791027928.db2.gz SGOSKNPBQPCVGO-CHWSQXEVSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@H]2O)CC1 ZINC001195677556 791027924 /nfs/dbraw/zinc/02/79/24/791027924.db2.gz SGOSKNPBQPCVGO-CHWSQXEVSA-N 2 1 339.440 -1.485 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859234 791044885 /nfs/dbraw/zinc/04/48/85/791044885.db2.gz HAYVIYODEKNHFC-ZIAGYGMSSA-N 2 1 330.429 -1.748 20 0 EAADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859658 791043504 /nfs/dbraw/zinc/04/35/04/791043504.db2.gz MWWGHLIOHJQNOE-CHWSQXEVSA-N 2 1 329.445 -1.193 20 0 EAADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859658 791043493 /nfs/dbraw/zinc/04/34/93/791043493.db2.gz MWWGHLIOHJQNOE-CHWSQXEVSA-N 2 1 329.445 -1.193 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001195859969 791044862 /nfs/dbraw/zinc/04/48/62/791044862.db2.gz PZHBLPSJXSLSCU-BFHYXJOUSA-N 2 1 342.440 -1.917 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001195859969 791044860 /nfs/dbraw/zinc/04/48/60/791044860.db2.gz PZHBLPSJXSLSCU-BFHYXJOUSA-N 2 1 342.440 -1.917 20 0 EAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860528 791044992 /nfs/dbraw/zinc/04/49/92/791044992.db2.gz YOBXUPDSWIXLOF-BFHYXJOUSA-N 2 1 333.429 -1.877 20 0 EAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860529 791044611 /nfs/dbraw/zinc/04/46/11/791044611.db2.gz YOBXUPDSWIXLOF-MGPQQGTHSA-N 2 1 333.429 -1.877 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001195869357 791048940 /nfs/dbraw/zinc/04/89/40/791048940.db2.gz BUDREOARMYSKOQ-VXGBXAGGSA-N 2 1 326.397 -1.752 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001195869357 791048934 /nfs/dbraw/zinc/04/89/34/791048934.db2.gz BUDREOARMYSKOQ-VXGBXAGGSA-N 2 1 326.397 -1.752 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001195869875 791049650 /nfs/dbraw/zinc/04/96/50/791049650.db2.gz FOWVNWNSDMOLRN-GHMZBOCLSA-N 2 1 327.385 -2.349 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001195869875 791049641 /nfs/dbraw/zinc/04/96/41/791049641.db2.gz FOWVNWNSDMOLRN-GHMZBOCLSA-N 2 1 327.385 -2.349 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001195869908 791051008 /nfs/dbraw/zinc/05/10/08/791051008.db2.gz FTLXHVJWOAOLNG-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001195869928 791049202 /nfs/dbraw/zinc/04/92/02/791049202.db2.gz GAKOGKKTNBRTIU-BFHYXJOUSA-N 2 1 325.413 -1.643 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001195869931 791050466 /nfs/dbraw/zinc/05/04/66/791050466.db2.gz GAKOGKKTNBRTIU-MGPQQGTHSA-N 2 1 325.413 -1.643 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O)[NH+](C)C ZINC001196267971 791076227 /nfs/dbraw/zinc/07/62/27/791076227.db2.gz MPNRFMJXFSLPDA-QLFBSQMISA-N 2 1 344.456 -1.359 20 0 EAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001196636454 791107093 /nfs/dbraw/zinc/10/70/93/791107093.db2.gz APWDFCVJPBHTJX-HUUCEWRRSA-N 2 1 329.441 -1.112 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637831 791107620 /nfs/dbraw/zinc/10/76/20/791107620.db2.gz NKCBAAJKESSRFB-RBSFLKMASA-N 2 1 329.441 -1.113 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637833 791107717 /nfs/dbraw/zinc/10/77/17/791107717.db2.gz NKCBAAJKESSRFB-RRFJBIMHSA-N 2 1 329.441 -1.113 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196947038 791126868 /nfs/dbraw/zinc/12/68/68/791126868.db2.gz RQPIPHCCNVJQCU-BFHYXJOUSA-N 2 1 331.413 -2.123 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196947038 791126861 /nfs/dbraw/zinc/12/68/61/791126861.db2.gz RQPIPHCCNVJQCU-BFHYXJOUSA-N 2 1 331.413 -2.123 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196947039 791126498 /nfs/dbraw/zinc/12/64/98/791126498.db2.gz RQPIPHCCNVJQCU-MGPQQGTHSA-N 2 1 331.413 -2.123 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196947039 791126492 /nfs/dbraw/zinc/12/64/92/791126492.db2.gz RQPIPHCCNVJQCU-MGPQQGTHSA-N 2 1 331.413 -2.123 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196953873 791129080 /nfs/dbraw/zinc/12/90/80/791129080.db2.gz JJJJGBINHZWBBD-RBSFLKMASA-N 2 1 327.425 -1.094 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1O ZINC001196953873 791129075 /nfs/dbraw/zinc/12/90/75/791129075.db2.gz JJJJGBINHZWBBD-RBSFLKMASA-N 2 1 327.425 -1.094 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196953874 791128521 /nfs/dbraw/zinc/12/85/21/791128521.db2.gz JJJJGBINHZWBBD-RRFJBIMHSA-N 2 1 327.425 -1.094 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1O ZINC001196953874 791128516 /nfs/dbraw/zinc/12/85/16/791128516.db2.gz JJJJGBINHZWBBD-RRFJBIMHSA-N 2 1 327.425 -1.094 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197048466 791134037 /nfs/dbraw/zinc/13/40/37/791134037.db2.gz BRDANOVYJQCQGJ-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197048474 791134508 /nfs/dbraw/zinc/13/45/08/791134508.db2.gz BRDANOVYJQCQGJ-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001197058654 791133783 /nfs/dbraw/zinc/13/37/83/791133783.db2.gz VTFGTLKCSNLZGT-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001197058655 791133661 /nfs/dbraw/zinc/13/36/61/791133661.db2.gz VTHWJFZEFSNTAM-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001197058656 791134689 /nfs/dbraw/zinc/13/46/89/791134689.db2.gz VTHWJFZEFSNTAM-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319460 791148080 /nfs/dbraw/zinc/14/80/80/791148080.db2.gz ILJQDTCGMLUGIE-BPLDGKMQSA-N 2 1 345.440 -1.734 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319461 791148840 /nfs/dbraw/zinc/14/88/40/791148840.db2.gz ILJQDTCGMLUGIE-NWANDNLSSA-N 2 1 345.440 -1.734 20 0 EAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001197319482 791147619 /nfs/dbraw/zinc/14/76/19/791147619.db2.gz JOKXVZULRFMKRT-HUUCEWRRSA-N 2 1 345.440 -1.733 20 0 EAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001197319482 791147607 /nfs/dbraw/zinc/14/76/07/791147607.db2.gz JOKXVZULRFMKRT-HUUCEWRRSA-N 2 1 345.440 -1.733 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197493256 791162877 /nfs/dbraw/zinc/16/28/77/791162877.db2.gz HVRAKBVBNQCXGP-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197493256 791162871 /nfs/dbraw/zinc/16/28/71/791162871.db2.gz HVRAKBVBNQCXGP-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001197493256 791162865 /nfs/dbraw/zinc/16/28/65/791162865.db2.gz HVRAKBVBNQCXGP-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197493259 791164079 /nfs/dbraw/zinc/16/40/79/791164079.db2.gz HVRAKBVBNQCXGP-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197493259 791164073 /nfs/dbraw/zinc/16/40/73/791164073.db2.gz HVRAKBVBNQCXGP-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001197493259 791164067 /nfs/dbraw/zinc/16/40/67/791164067.db2.gz HVRAKBVBNQCXGP-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197493366 791163155 /nfs/dbraw/zinc/16/31/55/791163155.db2.gz KFGNPQIGVNEJGS-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197493366 791163149 /nfs/dbraw/zinc/16/31/49/791163149.db2.gz KFGNPQIGVNEJGS-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197493366 791163140 /nfs/dbraw/zinc/16/31/40/791163140.db2.gz KFGNPQIGVNEJGS-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001197493366 791163130 /nfs/dbraw/zinc/16/31/30/791163130.db2.gz KFGNPQIGVNEJGS-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493439 791163518 /nfs/dbraw/zinc/16/35/18/791163518.db2.gz NFOLZHWRACGMOI-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493439 791163513 /nfs/dbraw/zinc/16/35/13/791163513.db2.gz NFOLZHWRACGMOI-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493439 791163509 /nfs/dbraw/zinc/16/35/09/791163509.db2.gz NFOLZHWRACGMOI-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001197493439 791163502 /nfs/dbraw/zinc/16/35/02/791163502.db2.gz NFOLZHWRACGMOI-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197535812 791161751 /nfs/dbraw/zinc/16/17/51/791161751.db2.gz DVHLIZXBUPZVPD-CHWSQXEVSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197535812 791161746 /nfs/dbraw/zinc/16/17/46/791161746.db2.gz DVHLIZXBUPZVPD-CHWSQXEVSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001197535812 791161741 /nfs/dbraw/zinc/16/17/41/791161741.db2.gz DVHLIZXBUPZVPD-CHWSQXEVSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001197535812 791161736 /nfs/dbraw/zinc/16/17/36/791161736.db2.gz DVHLIZXBUPZVPD-CHWSQXEVSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001197536256 791162796 /nfs/dbraw/zinc/16/27/96/791162796.db2.gz QKOVLKUKOZHSAZ-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001197536256 791162792 /nfs/dbraw/zinc/16/27/92/791162792.db2.gz QKOVLKUKOZHSAZ-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001197536256 791162788 /nfs/dbraw/zinc/16/27/88/791162788.db2.gz QKOVLKUKOZHSAZ-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001197536257 791163734 /nfs/dbraw/zinc/16/37/34/791163734.db2.gz QKOVLKUKOZHSAZ-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001197536257 791163731 /nfs/dbraw/zinc/16/37/31/791163731.db2.gz QKOVLKUKOZHSAZ-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1O ZINC001197536257 791163728 /nfs/dbraw/zinc/16/37/28/791163728.db2.gz QKOVLKUKOZHSAZ-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001197536666 791162723 /nfs/dbraw/zinc/16/27/23/791162723.db2.gz ZABQSGAOJDVBHF-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001197536666 791162719 /nfs/dbraw/zinc/16/27/19/791162719.db2.gz ZABQSGAOJDVBHF-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001197536666 791162716 /nfs/dbraw/zinc/16/27/16/791162716.db2.gz ZABQSGAOJDVBHF-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@@H]2NCN[C@@H]21 ZINC001197628669 791168044 /nfs/dbraw/zinc/16/80/44/791168044.db2.gz SJZRLBPTPSFLIG-FPCVCCKLSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@@H]2NCN[C@@H]21 ZINC001197628669 791168039 /nfs/dbraw/zinc/16/80/39/791168039.db2.gz SJZRLBPTPSFLIG-FPCVCCKLSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]2NCN[C@@H]21 ZINC001197628672 791167346 /nfs/dbraw/zinc/16/73/46/791167346.db2.gz SJZRLBPTPSFLIG-KLHDSHLOSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@H]2NCN[C@@H]21 ZINC001197628672 791167340 /nfs/dbraw/zinc/16/73/40/791167340.db2.gz SJZRLBPTPSFLIG-KLHDSHLOSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]2NCN[C@H]21 ZINC001197628673 791167316 /nfs/dbraw/zinc/16/73/16/791167316.db2.gz SJZRLBPTPSFLIG-QKPAOTATSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@H]2NCN[C@H]21 ZINC001197628673 791167307 /nfs/dbraw/zinc/16/73/07/791167307.db2.gz SJZRLBPTPSFLIG-QKPAOTATSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@@H]2NCN[C@H]21 ZINC001197628674 791166650 /nfs/dbraw/zinc/16/66/50/791166650.db2.gz SJZRLBPTPSFLIG-QXSJWSMHSA-N 2 1 346.435 -1.614 20 0 EAADMP [NH3+][C@@H]1NCN(C(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@@H]2NCN[C@H]21 ZINC001197628674 791166642 /nfs/dbraw/zinc/16/66/42/791166642.db2.gz SJZRLBPTPSFLIG-QXSJWSMHSA-N 2 1 346.435 -1.614 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001197792798 791178887 /nfs/dbraw/zinc/17/88/87/791178887.db2.gz QAOMVJOEIYNPRY-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001197792798 791178882 /nfs/dbraw/zinc/17/88/82/791178882.db2.gz QAOMVJOEIYNPRY-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001197793058 791179605 /nfs/dbraw/zinc/17/96/05/791179605.db2.gz XNFINCLMJDWICC-ZIAGYGMSSA-N 2 1 325.413 -1.377 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1O ZINC001197793058 791179598 /nfs/dbraw/zinc/17/95/98/791179598.db2.gz XNFINCLMJDWICC-ZIAGYGMSSA-N 2 1 325.413 -1.377 20 0 EAADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819998 791180642 /nfs/dbraw/zinc/18/06/42/791180642.db2.gz SHZCJQOEYYXJMK-ZIAGYGMSSA-N 2 1 327.425 -1.094 20 0 EAADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819998 791180634 /nfs/dbraw/zinc/18/06/34/791180634.db2.gz SHZCJQOEYYXJMK-ZIAGYGMSSA-N 2 1 327.425 -1.094 20 0 EAADMP Cn1cc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)cn1 ZINC001197825434 791181679 /nfs/dbraw/zinc/18/16/79/791181679.db2.gz DGSVNAOUBQERNZ-HUUCEWRRSA-N 2 1 339.440 -1.298 20 0 EAADMP Cn1nccc1CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825438 791181185 /nfs/dbraw/zinc/18/11/85/791181185.db2.gz DMXHNCJKPHHNMU-HUUCEWRRSA-N 2 1 339.440 -1.298 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001197825753 791180718 /nfs/dbraw/zinc/18/07/18/791180718.db2.gz HRMDOFYYTXMXJY-CHWSQXEVSA-N 2 1 326.401 -1.982 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001197825753 791180712 /nfs/dbraw/zinc/18/07/12/791180712.db2.gz HRMDOFYYTXMXJY-CHWSQXEVSA-N 2 1 326.401 -1.982 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197825970 791180781 /nfs/dbraw/zinc/18/07/81/791180781.db2.gz JOBQKIKMYHIRGN-CHWSQXEVSA-N 2 1 343.428 -2.249 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197825970 791180774 /nfs/dbraw/zinc/18/07/74/791180774.db2.gz JOBQKIKMYHIRGN-CHWSQXEVSA-N 2 1 343.428 -2.249 20 0 EAADMP COCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826196 791180986 /nfs/dbraw/zinc/18/09/86/791180986.db2.gz QDKCJPMQQJOLOT-ZIAGYGMSSA-N 2 1 333.429 -1.611 20 0 EAADMP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826196 791180982 /nfs/dbraw/zinc/18/09/82/791180982.db2.gz QDKCJPMQQJOLOT-ZIAGYGMSSA-N 2 1 333.429 -1.611 20 0 EAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197948014 791187151 /nfs/dbraw/zinc/18/71/51/791187151.db2.gz CNWCSAIPGXNQKI-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001197948014 791187146 /nfs/dbraw/zinc/18/71/46/791187146.db2.gz CNWCSAIPGXNQKI-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028552 791192662 /nfs/dbraw/zinc/19/26/62/791192662.db2.gz CXRPAMIZPUXMCW-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028552 791192658 /nfs/dbraw/zinc/19/26/58/791192658.db2.gz CXRPAMIZPUXMCW-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1O ZINC001198028552 791192655 /nfs/dbraw/zinc/19/26/55/791192655.db2.gz CXRPAMIZPUXMCW-HUUCEWRRSA-N 2 1 344.456 -1.358 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001198029135 791191738 /nfs/dbraw/zinc/19/17/38/791191738.db2.gz NNJMDPVNAIOLGP-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001198029135 791191736 /nfs/dbraw/zinc/19/17/36/791191736.db2.gz NNJMDPVNAIOLGP-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1O ZINC001198029135 791191733 /nfs/dbraw/zinc/19/17/33/791191733.db2.gz NNJMDPVNAIOLGP-RBSFLKMASA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001198029136 791193041 /nfs/dbraw/zinc/19/30/41/791193041.db2.gz NNJMDPVNAIOLGP-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1O ZINC001198029136 791193037 /nfs/dbraw/zinc/19/30/37/791193037.db2.gz NNJMDPVNAIOLGP-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1O ZINC001198029136 791193035 /nfs/dbraw/zinc/19/30/35/791193035.db2.gz NNJMDPVNAIOLGP-RRFJBIMHSA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001198029173 791192613 /nfs/dbraw/zinc/19/26/13/791192613.db2.gz PHJIOVOZROENCB-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001198029173 791192607 /nfs/dbraw/zinc/19/26/07/791192607.db2.gz PHJIOVOZROENCB-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001198029173 791192602 /nfs/dbraw/zinc/19/26/02/791192602.db2.gz PHJIOVOZROENCB-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1O ZINC001198029173 791192594 /nfs/dbraw/zinc/19/25/94/791192594.db2.gz PHJIOVOZROENCB-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198046401 791190376 /nfs/dbraw/zinc/19/03/76/791190376.db2.gz CIQUFHYEJVSSSQ-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198046401 791190373 /nfs/dbraw/zinc/19/03/73/791190373.db2.gz CIQUFHYEJVSSSQ-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001198046401 791190369 /nfs/dbraw/zinc/19/03/69/791190369.db2.gz CIQUFHYEJVSSSQ-RBSFLKMASA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198046408 791190817 /nfs/dbraw/zinc/19/08/17/791190817.db2.gz CIQUFHYEJVSSSQ-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198046408 791190816 /nfs/dbraw/zinc/19/08/16/791190816.db2.gz CIQUFHYEJVSSSQ-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001198046408 791190814 /nfs/dbraw/zinc/19/08/14/791190814.db2.gz CIQUFHYEJVSSSQ-RRFJBIMHSA-N 2 1 339.440 -1.253 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652884 791224060 /nfs/dbraw/zinc/22/40/60/791224060.db2.gz DKGDSFQWRJPRGK-RBSFLKMASA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652884 791224049 /nfs/dbraw/zinc/22/40/49/791224049.db2.gz DKGDSFQWRJPRGK-RBSFLKMASA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198652884 791224040 /nfs/dbraw/zinc/22/40/40/791224040.db2.gz DKGDSFQWRJPRGK-RBSFLKMASA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198652886 791223420 /nfs/dbraw/zinc/22/34/20/791223420.db2.gz DKGDSFQWRJPRGK-RRFJBIMHSA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198652886 791223410 /nfs/dbraw/zinc/22/34/10/791223410.db2.gz DKGDSFQWRJPRGK-RRFJBIMHSA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198652886 791223401 /nfs/dbraw/zinc/22/34/01/791223401.db2.gz DKGDSFQWRJPRGK-RRFJBIMHSA-N 2 1 342.440 -1.748 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001199103943 791255497 /nfs/dbraw/zinc/25/54/97/791255497.db2.gz FGDCMYMDDFYZFM-RBSFLKMASA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001199103943 791255489 /nfs/dbraw/zinc/25/54/89/791255489.db2.gz FGDCMYMDDFYZFM-RBSFLKMASA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001199103943 791255483 /nfs/dbraw/zinc/25/54/83/791255483.db2.gz FGDCMYMDDFYZFM-RBSFLKMASA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001199103944 791256060 /nfs/dbraw/zinc/25/60/60/791256060.db2.gz FGDCMYMDDFYZFM-RRFJBIMHSA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001199103944 791256050 /nfs/dbraw/zinc/25/60/50/791256050.db2.gz FGDCMYMDDFYZFM-RRFJBIMHSA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001199103944 791256039 /nfs/dbraw/zinc/25/60/39/791256039.db2.gz FGDCMYMDDFYZFM-RRFJBIMHSA-N 2 1 339.440 -1.255 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111582 791257147 /nfs/dbraw/zinc/25/71/47/791257147.db2.gz BTVOMYPDMAHUQP-HUUCEWRRSA-N 2 1 344.456 -1.359 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111582 791257140 /nfs/dbraw/zinc/25/71/40/791257140.db2.gz BTVOMYPDMAHUQP-HUUCEWRRSA-N 2 1 344.456 -1.359 20 0 EAADMP CC(=O)NCCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111582 791257131 /nfs/dbraw/zinc/25/71/31/791257131.db2.gz BTVOMYPDMAHUQP-HUUCEWRRSA-N 2 1 344.456 -1.359 20 0 EAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111823 791257702 /nfs/dbraw/zinc/25/77/02/791257702.db2.gz OAAYLXHDQOYZRJ-RBSFLKMASA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111823 791257693 /nfs/dbraw/zinc/25/76/93/791257693.db2.gz OAAYLXHDQOYZRJ-RBSFLKMASA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111823 791257686 /nfs/dbraw/zinc/25/76/86/791257686.db2.gz OAAYLXHDQOYZRJ-RBSFLKMASA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111824 791257361 /nfs/dbraw/zinc/25/73/61/791257361.db2.gz OAAYLXHDQOYZRJ-RRFJBIMHSA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111824 791257350 /nfs/dbraw/zinc/25/73/50/791257350.db2.gz OAAYLXHDQOYZRJ-RRFJBIMHSA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111824 791257339 /nfs/dbraw/zinc/25/73/39/791257339.db2.gz OAAYLXHDQOYZRJ-RRFJBIMHSA-N 2 1 347.456 -1.488 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001199943286 791292779 /nfs/dbraw/zinc/29/27/79/791292779.db2.gz GYBIVMIRPSVOQI-CYBMUJFWSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001199943286 791292771 /nfs/dbraw/zinc/29/27/71/791292771.db2.gz GYBIVMIRPSVOQI-CYBMUJFWSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001199943287 791292849 /nfs/dbraw/zinc/29/28/49/791292849.db2.gz GYBIVMIRPSVOQI-ZDUSSCGKSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001199943287 791292844 /nfs/dbraw/zinc/29/28/44/791292844.db2.gz GYBIVMIRPSVOQI-ZDUSSCGKSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001199943526 791292561 /nfs/dbraw/zinc/29/25/61/791292561.db2.gz MCONGAJRYDQDIT-LLVKDONJSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001199943526 791292557 /nfs/dbraw/zinc/29/25/57/791292557.db2.gz MCONGAJRYDQDIT-LLVKDONJSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001199943527 791292433 /nfs/dbraw/zinc/29/24/33/791292433.db2.gz MCONGAJRYDQDIT-NSHDSACASA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001199943527 791292428 /nfs/dbraw/zinc/29/24/28/791292428.db2.gz MCONGAJRYDQDIT-NSHDSACASA-N 2 1 327.385 -1.908 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943829 791293976 /nfs/dbraw/zinc/29/39/76/791293976.db2.gz RUMHTGQIAMFHRS-GFCCVEGCSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943829 791293970 /nfs/dbraw/zinc/29/39/70/791293970.db2.gz RUMHTGQIAMFHRS-GFCCVEGCSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943830 791294213 /nfs/dbraw/zinc/29/42/13/791294213.db2.gz RUMHTGQIAMFHRS-LBPRGKRZSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943830 791294205 /nfs/dbraw/zinc/29/42/05/791294205.db2.gz RUMHTGQIAMFHRS-LBPRGKRZSA-N 2 1 341.412 -1.647 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001199944383 791294927 /nfs/dbraw/zinc/29/49/27/791294927.db2.gz YQHAOKPXOIMFEX-CYBMUJFWSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001199944383 791294919 /nfs/dbraw/zinc/29/49/19/791294919.db2.gz YQHAOKPXOIMFEX-CYBMUJFWSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001199944384 791294383 /nfs/dbraw/zinc/29/43/83/791294383.db2.gz YQHAOKPXOIMFEX-ZDUSSCGKSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001199944384 791294377 /nfs/dbraw/zinc/29/43/77/791294377.db2.gz YQHAOKPXOIMFEX-ZDUSSCGKSA-N 2 1 333.454 -1.058 20 0 EAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944428 791294103 /nfs/dbraw/zinc/29/41/03/791294103.db2.gz ZLFCMCLWRONZSQ-CMPLNLGQSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944428 791294091 /nfs/dbraw/zinc/29/40/91/791294091.db2.gz ZLFCMCLWRONZSQ-CMPLNLGQSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944429 791293861 /nfs/dbraw/zinc/29/38/61/791293861.db2.gz ZLFCMCLWRONZSQ-JQWIXIFHSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944429 791293852 /nfs/dbraw/zinc/29/38/52/791293852.db2.gz ZLFCMCLWRONZSQ-JQWIXIFHSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944430 791294645 /nfs/dbraw/zinc/29/46/45/791294645.db2.gz ZLFCMCLWRONZSQ-PWSUYJOCSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944430 791294634 /nfs/dbraw/zinc/29/46/34/791294634.db2.gz ZLFCMCLWRONZSQ-PWSUYJOCSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944431 791294999 /nfs/dbraw/zinc/29/49/99/791294999.db2.gz ZLFCMCLWRONZSQ-ZYHUDNBSSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1)C(=O)NC(N)=O ZINC001199944431 791294993 /nfs/dbraw/zinc/29/49/93/791294993.db2.gz ZLFCMCLWRONZSQ-ZYHUDNBSSA-N 2 1 341.412 -1.519 20 0 EAADMP OCC[NH+](CCO)CCCNC(=S)NCCC[NH+]1CCOCC1 ZINC001199954435 791296103 /nfs/dbraw/zinc/29/61/03/791296103.db2.gz YKSWOOWSIPGINP-UHFFFAOYSA-N 2 1 348.513 -1.151 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122875 791304483 /nfs/dbraw/zinc/30/44/83/791304483.db2.gz JIAGPIYQOSPYMS-NEPJUHHUSA-N 2 1 341.412 -1.517 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122876 791304327 /nfs/dbraw/zinc/30/43/27/791304327.db2.gz JIAGPIYQOSPYMS-NWDGAFQWSA-N 2 1 341.412 -1.517 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122879 791303878 /nfs/dbraw/zinc/30/38/78/791303878.db2.gz JIAGPIYQOSPYMS-RYUDHWBXSA-N 2 1 341.412 -1.517 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001200122881 791304094 /nfs/dbraw/zinc/30/40/94/791304094.db2.gz JIAGPIYQOSPYMS-VXGBXAGGSA-N 2 1 341.412 -1.517 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181437 791307494 /nfs/dbraw/zinc/30/74/94/791307494.db2.gz IMCDLHDKSWMIBK-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181437 791307489 /nfs/dbraw/zinc/30/74/89/791307489.db2.gz IMCDLHDKSWMIBK-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181440 791307511 /nfs/dbraw/zinc/30/75/11/791307511.db2.gz IMCDLHDKSWMIBK-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181440 791307505 /nfs/dbraw/zinc/30/75/05/791307505.db2.gz IMCDLHDKSWMIBK-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181443 791306707 /nfs/dbraw/zinc/30/67/07/791306707.db2.gz IMCDLHDKSWMIBK-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181443 791306701 /nfs/dbraw/zinc/30/67/01/791306701.db2.gz IMCDLHDKSWMIBK-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181444 791307752 /nfs/dbraw/zinc/30/77/52/791307752.db2.gz IMCDLHDKSWMIBK-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001200181444 791307742 /nfs/dbraw/zinc/30/77/42/791307742.db2.gz IMCDLHDKSWMIBK-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787141 791338876 /nfs/dbraw/zinc/33/88/76/791338876.db2.gz NHMUOXLSILTKHT-HZSPNIEDSA-N 2 1 342.440 -1.341 20 0 EAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787142 791339682 /nfs/dbraw/zinc/33/96/82/791339682.db2.gz NHMUOXLSILTKHT-MGPQQGTHSA-N 2 1 342.440 -1.341 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)O1 ZINC001200788105 791339240 /nfs/dbraw/zinc/33/92/40/791339240.db2.gz XMMOKEUGQVPPLD-FRRDWIJNSA-N 2 1 328.413 -1.602 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)O1 ZINC001200788136 791338968 /nfs/dbraw/zinc/33/89/68/791338968.db2.gz XMMOKEUGQVPPLD-JHJVBQTASA-N 2 1 328.413 -1.602 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)O1 ZINC001201230414 791359192 /nfs/dbraw/zinc/35/91/92/791359192.db2.gz PQIUHLKZROHXCQ-ZYHUDNBSSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)O1 ZINC001201230414 791359187 /nfs/dbraw/zinc/35/91/87/791359187.db2.gz PQIUHLKZROHXCQ-ZYHUDNBSSA-N 2 1 341.412 -1.519 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245327 791359335 /nfs/dbraw/zinc/35/93/35/791359335.db2.gz GGIMUDNEPOUOHF-KBPBESRZSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245327 791359330 /nfs/dbraw/zinc/35/93/30/791359330.db2.gz GGIMUDNEPOUOHF-KBPBESRZSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245334 791359399 /nfs/dbraw/zinc/35/93/99/791359399.db2.gz GGIMUDNEPOUOHF-KGLIPLIRSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245334 791359395 /nfs/dbraw/zinc/35/93/95/791359395.db2.gz GGIMUDNEPOUOHF-KGLIPLIRSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245335 791359077 /nfs/dbraw/zinc/35/90/77/791359077.db2.gz GGIMUDNEPOUOHF-UONOGXRCSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245335 791359074 /nfs/dbraw/zinc/35/90/74/791359074.db2.gz GGIMUDNEPOUOHF-UONOGXRCSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245336 791359148 /nfs/dbraw/zinc/35/91/48/791359148.db2.gz GGIMUDNEPOUOHF-ZIAGYGMSSA-N 2 1 342.440 -1.212 20 0 EAADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201245336 791359139 /nfs/dbraw/zinc/35/91/39/791359139.db2.gz GGIMUDNEPOUOHF-ZIAGYGMSSA-N 2 1 342.440 -1.212 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334602 791366209 /nfs/dbraw/zinc/36/62/09/791366209.db2.gz KJKDREOBKHILJU-GFCCVEGCSA-N 2 1 325.417 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334604 791366653 /nfs/dbraw/zinc/36/66/53/791366653.db2.gz KJKDREOBKHILJU-LBPRGKRZSA-N 2 1 325.417 -1.131 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)nc1=O ZINC001201336599 791365897 /nfs/dbraw/zinc/36/58/97/791365897.db2.gz WEYXXVLYIYNESD-GFCCVEGCSA-N 2 1 340.428 -1.233 20 0 EAADMP Cn1[nH]c(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)nc1=O ZINC001201336600 791365803 /nfs/dbraw/zinc/36/58/03/791365803.db2.gz WEYXXVLYIYNESD-LBPRGKRZSA-N 2 1 340.428 -1.233 20 0 EAADMP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201638952 791377000 /nfs/dbraw/zinc/37/70/00/791377000.db2.gz FNNKVUQVCGEYGW-CYBMUJFWSA-N 2 1 328.413 -1.599 20 0 EAADMP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201638953 791376138 /nfs/dbraw/zinc/37/61/38/791376138.db2.gz FNNKVUQVCGEYGW-ZDUSSCGKSA-N 2 1 328.413 -1.599 20 0 EAADMP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1)C(N)=O ZINC001201639406 791376344 /nfs/dbraw/zinc/37/63/44/791376344.db2.gz KEWBGYARJOOWSK-KBPBESRZSA-N 2 1 342.440 -1.210 20 0 EAADMP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1)C(N)=O ZINC001201639411 791376391 /nfs/dbraw/zinc/37/63/91/791376391.db2.gz KEWBGYARJOOWSK-KGLIPLIRSA-N 2 1 342.440 -1.210 20 0 EAADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1)C(N)=O ZINC001201639413 791377053 /nfs/dbraw/zinc/37/70/53/791377053.db2.gz KEWBGYARJOOWSK-UONOGXRCSA-N 2 1 342.440 -1.210 20 0 EAADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1)C(N)=O ZINC001201639414 791376765 /nfs/dbraw/zinc/37/67/65/791376765.db2.gz KEWBGYARJOOWSK-ZIAGYGMSSA-N 2 1 342.440 -1.210 20 0 EAADMP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201639683 791376793 /nfs/dbraw/zinc/37/67/93/791376793.db2.gz NBDWHYBVSGLHNQ-AWEZNQCLSA-N 2 1 342.440 -1.338 20 0 EAADMP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201639684 791377107 /nfs/dbraw/zinc/37/71/07/791377107.db2.gz NBDWHYBVSGLHNQ-CQSZACIVSA-N 2 1 342.440 -1.338 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201809032 791383861 /nfs/dbraw/zinc/38/38/61/791383861.db2.gz JIYTWFXXXUVEMH-GFCCVEGCSA-N 2 1 343.428 -1.270 20 0 EAADMP CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201809034 791383395 /nfs/dbraw/zinc/38/33/95/791383395.db2.gz JIYTWFXXXUVEMH-LBPRGKRZSA-N 2 1 343.428 -1.270 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201931664 791389939 /nfs/dbraw/zinc/38/99/39/791389939.db2.gz NSKUXPTYMITJFR-GFCCVEGCSA-N 2 1 343.428 -1.270 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001201931665 791389896 /nfs/dbraw/zinc/38/98/96/791389896.db2.gz NSKUXPTYMITJFR-LBPRGKRZSA-N 2 1 343.428 -1.270 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057768 791397025 /nfs/dbraw/zinc/39/70/25/791397025.db2.gz HIMUXDICRMLPPM-NEPJUHHUSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057769 791396631 /nfs/dbraw/zinc/39/66/31/791396631.db2.gz HIMUXDICRMLPPM-NWDGAFQWSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057770 791397209 /nfs/dbraw/zinc/39/72/09/791397209.db2.gz HIMUXDICRMLPPM-RYUDHWBXSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001202057771 791396480 /nfs/dbraw/zinc/39/64/80/791396480.db2.gz HIMUXDICRMLPPM-VXGBXAGGSA-N 2 1 341.412 -1.660 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114748 791400509 /nfs/dbraw/zinc/40/05/09/791400509.db2.gz BEDFWAWEWBHLRL-CHWSQXEVSA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114748 791400506 /nfs/dbraw/zinc/40/05/06/791400506.db2.gz BEDFWAWEWBHLRL-CHWSQXEVSA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114752 791400063 /nfs/dbraw/zinc/40/00/63/791400063.db2.gz BEDFWAWEWBHLRL-OLZOCXBDSA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114752 791400057 /nfs/dbraw/zinc/40/00/57/791400057.db2.gz BEDFWAWEWBHLRL-OLZOCXBDSA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114754 791400105 /nfs/dbraw/zinc/40/01/05/791400105.db2.gz BEDFWAWEWBHLRL-QWHCGFSZSA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114754 791400103 /nfs/dbraw/zinc/40/01/03/791400103.db2.gz BEDFWAWEWBHLRL-QWHCGFSZSA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114755 791400328 /nfs/dbraw/zinc/40/03/28/791400328.db2.gz BEDFWAWEWBHLRL-STQMWFEESA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001202114755 791400323 /nfs/dbraw/zinc/40/03/23/791400323.db2.gz BEDFWAWEWBHLRL-STQMWFEESA-N 2 1 328.413 -1.601 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115277 791399615 /nfs/dbraw/zinc/39/96/15/791399615.db2.gz JQYQZZBFGBTXPD-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115277 791399606 /nfs/dbraw/zinc/39/96/06/791399606.db2.gz JQYQZZBFGBTXPD-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115278 791399701 /nfs/dbraw/zinc/39/97/01/791399701.db2.gz JQYQZZBFGBTXPD-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115278 791399694 /nfs/dbraw/zinc/39/96/94/791399694.db2.gz JQYQZZBFGBTXPD-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115279 791400456 /nfs/dbraw/zinc/40/04/56/791400456.db2.gz JQYQZZBFGBTXPD-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115279 791400450 /nfs/dbraw/zinc/40/04/50/791400450.db2.gz JQYQZZBFGBTXPD-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115280 791400296 /nfs/dbraw/zinc/40/02/96/791400296.db2.gz JQYQZZBFGBTXPD-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001202115280 791400292 /nfs/dbraw/zinc/40/02/92/791400292.db2.gz JQYQZZBFGBTXPD-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202165562 791401555 /nfs/dbraw/zinc/40/15/55/791401555.db2.gz RQSRITJJUWOVHL-GFCCVEGCSA-N 2 1 343.428 -1.271 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001202165563 791401736 /nfs/dbraw/zinc/40/17/36/791401736.db2.gz RQSRITJJUWOVHL-LBPRGKRZSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502634 791418131 /nfs/dbraw/zinc/41/81/31/791418131.db2.gz GGSDBSZWUMEPPY-CMPLNLGQSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502639 791418487 /nfs/dbraw/zinc/41/84/87/791418487.db2.gz GGSDBSZWUMEPPY-JQWIXIFHSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502641 791418126 /nfs/dbraw/zinc/41/81/26/791418126.db2.gz GGSDBSZWUMEPPY-PWSUYJOCSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202502643 791418503 /nfs/dbraw/zinc/41/85/03/791418503.db2.gz GGSDBSZWUMEPPY-ZYHUDNBSSA-N 2 1 325.413 -1.040 20 0 EAADMP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947350 793038180 /nfs/dbraw/zinc/03/81/80/793038180.db2.gz NUIRKZWWGKAYEV-UHFFFAOYSA-N 2 1 341.412 -1.516 20 0 EAADMP Cn1nnc(C[NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)n1 ZINC001203349475 787826077 /nfs/dbraw/zinc/82/60/77/787826077.db2.gz QSRMOOXFPGKNFC-UHFFFAOYSA-N 2 1 325.417 -1.131 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699747 793694953 /nfs/dbraw/zinc/69/49/53/793694953.db2.gz RKBJLOYRLSWSJF-LLVKDONJSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699748 793695060 /nfs/dbraw/zinc/69/50/60/793695060.db2.gz RKBJLOYRLSWSJF-NSHDSACASA-N 2 1 325.413 -1.026 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203798391 793697654 /nfs/dbraw/zinc/69/76/54/793697654.db2.gz SWLWQONBUZYPIO-GFCCVEGCSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203798391 793697650 /nfs/dbraw/zinc/69/76/50/793697650.db2.gz SWLWQONBUZYPIO-GFCCVEGCSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203798392 793697773 /nfs/dbraw/zinc/69/77/73/793697773.db2.gz SWLWQONBUZYPIO-LBPRGKRZSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001203798392 793697767 /nfs/dbraw/zinc/69/77/67/793697767.db2.gz SWLWQONBUZYPIO-LBPRGKRZSA-N 2 1 341.412 -1.517 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001204876043 793702704 /nfs/dbraw/zinc/70/27/04/793702704.db2.gz KKNJBLYPDQKTOC-GFCCVEGCSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001204876043 793702695 /nfs/dbraw/zinc/70/26/95/793702695.db2.gz KKNJBLYPDQKTOC-GFCCVEGCSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001204876044 793703372 /nfs/dbraw/zinc/70/33/72/793703372.db2.gz KKNJBLYPDQKTOC-LBPRGKRZSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001204876044 793703366 /nfs/dbraw/zinc/70/33/66/793703366.db2.gz KKNJBLYPDQKTOC-LBPRGKRZSA-N 2 1 341.412 -1.660 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206928711 793730815 /nfs/dbraw/zinc/73/08/15/793730815.db2.gz GFTLKNUJOAIQPQ-GFCCVEGCSA-N 2 1 325.413 -1.039 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206928712 793730044 /nfs/dbraw/zinc/73/00/44/793730044.db2.gz GFTLKNUJOAIQPQ-LBPRGKRZSA-N 2 1 325.413 -1.039 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979284 793734588 /nfs/dbraw/zinc/73/45/88/793734588.db2.gz OCXJCNYTVMFMHV-KGYLQXTDSA-N 2 1 337.424 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979284 793734582 /nfs/dbraw/zinc/73/45/82/793734582.db2.gz OCXJCNYTVMFMHV-KGYLQXTDSA-N 2 1 337.424 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979285 793734178 /nfs/dbraw/zinc/73/41/78/793734178.db2.gz OCXJCNYTVMFMHV-RAIGVLPGSA-N 2 1 337.424 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979285 793734170 /nfs/dbraw/zinc/73/41/70/793734170.db2.gz OCXJCNYTVMFMHV-RAIGVLPGSA-N 2 1 337.424 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993030 793736680 /nfs/dbraw/zinc/73/66/80/793736680.db2.gz OXBRNOOUWRNADR-DDHJBXDOSA-N 2 1 325.413 -1.042 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993030 793736674 /nfs/dbraw/zinc/73/66/74/793736674.db2.gz OXBRNOOUWRNADR-DDHJBXDOSA-N 2 1 325.413 -1.042 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993030 793736669 /nfs/dbraw/zinc/73/66/69/793736669.db2.gz OXBRNOOUWRNADR-DDHJBXDOSA-N 2 1 325.413 -1.042 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001206993030 793736659 /nfs/dbraw/zinc/73/66/59/793736659.db2.gz OXBRNOOUWRNADR-DDHJBXDOSA-N 2 1 325.413 -1.042 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734645 793756439 /nfs/dbraw/zinc/75/64/39/793756439.db2.gz KULUKTRJOPNZRY-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734645 793756435 /nfs/dbraw/zinc/75/64/35/793756435.db2.gz KULUKTRJOPNZRY-CHWSQXEVSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734646 793755047 /nfs/dbraw/zinc/75/50/47/793755047.db2.gz KULUKTRJOPNZRY-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734646 793755044 /nfs/dbraw/zinc/75/50/44/793755044.db2.gz KULUKTRJOPNZRY-OLZOCXBDSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734647 793756155 /nfs/dbraw/zinc/75/61/55/793756155.db2.gz KULUKTRJOPNZRY-QWHCGFSZSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734647 793756147 /nfs/dbraw/zinc/75/61/47/793756147.db2.gz KULUKTRJOPNZRY-QWHCGFSZSA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734648 793756489 /nfs/dbraw/zinc/75/64/89/793756489.db2.gz KULUKTRJOPNZRY-STQMWFEESA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001207734648 793756480 /nfs/dbraw/zinc/75/64/80/793756480.db2.gz KULUKTRJOPNZRY-STQMWFEESA-N 2 1 348.469 -1.553 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735121 793756029 /nfs/dbraw/zinc/75/60/29/793756029.db2.gz WQZMCSXMWPHMKA-GHMZBOCLSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735121 793756024 /nfs/dbraw/zinc/75/60/24/793756024.db2.gz WQZMCSXMWPHMKA-GHMZBOCLSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735122 793755746 /nfs/dbraw/zinc/75/57/46/793755746.db2.gz WQZMCSXMWPHMKA-MNOVXSKESA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735122 793755742 /nfs/dbraw/zinc/75/57/42/793755742.db2.gz WQZMCSXMWPHMKA-MNOVXSKESA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735123 793755694 /nfs/dbraw/zinc/75/56/94/793755694.db2.gz WQZMCSXMWPHMKA-QWRGUYRKSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735123 793755690 /nfs/dbraw/zinc/75/56/90/793755690.db2.gz WQZMCSXMWPHMKA-QWRGUYRKSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735124 793755135 /nfs/dbraw/zinc/75/51/35/793755135.db2.gz WQZMCSXMWPHMKA-WDEREUQCSA-N 2 1 327.385 -1.908 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001207735124 793755125 /nfs/dbraw/zinc/75/51/25/793755125.db2.gz WQZMCSXMWPHMKA-WDEREUQCSA-N 2 1 327.385 -1.908 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735135 793756388 /nfs/dbraw/zinc/75/63/88/793756388.db2.gz WXIXEQYGYZCEHJ-NEPJUHHUSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735135 793756386 /nfs/dbraw/zinc/75/63/86/793756386.db2.gz WXIXEQYGYZCEHJ-NEPJUHHUSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735136 793756557 /nfs/dbraw/zinc/75/65/57/793756557.db2.gz WXIXEQYGYZCEHJ-NWDGAFQWSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735136 793756551 /nfs/dbraw/zinc/75/65/51/793756551.db2.gz WXIXEQYGYZCEHJ-NWDGAFQWSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207735137 793756459 /nfs/dbraw/zinc/75/64/59/793756459.db2.gz WXIXEQYGYZCEHJ-RYUDHWBXSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207735137 793756452 /nfs/dbraw/zinc/75/64/52/793756452.db2.gz WXIXEQYGYZCEHJ-RYUDHWBXSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207735138 793756252 /nfs/dbraw/zinc/75/62/52/793756252.db2.gz WXIXEQYGYZCEHJ-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207735138 793756245 /nfs/dbraw/zinc/75/62/45/793756245.db2.gz WXIXEQYGYZCEHJ-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001208411370 793787117 /nfs/dbraw/zinc/78/71/17/793787117.db2.gz SHODTAVXMGHRKY-GRYCIOLGSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001208411370 793787109 /nfs/dbraw/zinc/78/71/09/793787109.db2.gz SHODTAVXMGHRKY-GRYCIOLGSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001208411371 793787372 /nfs/dbraw/zinc/78/73/72/793787372.db2.gz SHODTAVXMGHRKY-IJLUTSLNSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)O1 ZINC001208411371 793787368 /nfs/dbraw/zinc/78/73/68/793787368.db2.gz SHODTAVXMGHRKY-IJLUTSLNSA-N 2 1 341.412 -1.519 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425605 793787019 /nfs/dbraw/zinc/78/70/19/793787019.db2.gz PILHHNYPXHGYFF-GHMZBOCLSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208425605 793787015 /nfs/dbraw/zinc/78/70/15/793787015.db2.gz PILHHNYPXHGYFF-GHMZBOCLSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485680 793795274 /nfs/dbraw/zinc/79/52/74/793795274.db2.gz QIPDFCQKTPZQGZ-ZYHUDNBSSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485680 793795272 /nfs/dbraw/zinc/79/52/72/793795272.db2.gz QIPDFCQKTPZQGZ-ZYHUDNBSSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496479 793794981 /nfs/dbraw/zinc/79/49/81/793794981.db2.gz VKEINXXDVXSFOX-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210144911 793834932 /nfs/dbraw/zinc/83/49/32/793834932.db2.gz BEPHQNUSXZFNCR-GFCCVEGCSA-N 2 1 341.412 -1.516 20 0 EAADMP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210144918 793834637 /nfs/dbraw/zinc/83/46/37/793834637.db2.gz BEPHQNUSXZFNCR-LBPRGKRZSA-N 2 1 341.412 -1.516 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210277456 793837543 /nfs/dbraw/zinc/83/75/43/793837543.db2.gz SUYFWNCDXUDODN-GRYCIOLGSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210277456 793837535 /nfs/dbraw/zinc/83/75/35/793837535.db2.gz SUYFWNCDXUDODN-GRYCIOLGSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210277456 793837524 /nfs/dbraw/zinc/83/75/24/793837524.db2.gz SUYFWNCDXUDODN-GRYCIOLGSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001210277456 793837514 /nfs/dbraw/zinc/83/75/14/793837514.db2.gz SUYFWNCDXUDODN-GRYCIOLGSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210277458 793837777 /nfs/dbraw/zinc/83/77/77/793837777.db2.gz SUYFWNCDXUDODN-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210277458 793837766 /nfs/dbraw/zinc/83/77/66/793837766.db2.gz SUYFWNCDXUDODN-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210277458 793837757 /nfs/dbraw/zinc/83/77/57/793837757.db2.gz SUYFWNCDXUDODN-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001210277458 793837747 /nfs/dbraw/zinc/83/77/47/793837747.db2.gz SUYFWNCDXUDODN-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298311 793840320 /nfs/dbraw/zinc/84/03/20/793840320.db2.gz OELXXZPCYAXRKR-GRYCIOLGSA-N 2 1 343.428 -1.416 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298311 793840308 /nfs/dbraw/zinc/84/03/08/793840308.db2.gz OELXXZPCYAXRKR-GRYCIOLGSA-N 2 1 343.428 -1.416 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298327 793839664 /nfs/dbraw/zinc/83/96/64/793839664.db2.gz OELXXZPCYAXRKR-IJLUTSLNSA-N 2 1 343.428 -1.416 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298327 793839656 /nfs/dbraw/zinc/83/96/56/793839656.db2.gz OELXXZPCYAXRKR-IJLUTSLNSA-N 2 1 343.428 -1.416 20 0 EAADMP C[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315435 793840383 /nfs/dbraw/zinc/84/03/83/793840383.db2.gz PCVHZZIVKINDQT-GHMZBOCLSA-N 2 1 329.401 -1.804 20 0 EAADMP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315435 793840376 /nfs/dbraw/zinc/84/03/76/793840376.db2.gz PCVHZZIVKINDQT-GHMZBOCLSA-N 2 1 329.401 -1.804 20 0 EAADMP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315832 793839765 /nfs/dbraw/zinc/83/97/65/793839765.db2.gz WTMSVWTVHVXUNU-JHJVBQTASA-N 2 1 340.424 -1.194 20 0 EAADMP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315832 793839755 /nfs/dbraw/zinc/83/97/55/793839755.db2.gz WTMSVWTVHVXUNU-JHJVBQTASA-N 2 1 340.424 -1.194 20 0 EAADMP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315836 793839922 /nfs/dbraw/zinc/83/99/22/793839922.db2.gz WTMSVWTVHVXUNU-UPJWGTAASA-N 2 1 340.424 -1.194 20 0 EAADMP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315836 793839909 /nfs/dbraw/zinc/83/99/09/793839909.db2.gz WTMSVWTVHVXUNU-UPJWGTAASA-N 2 1 340.424 -1.194 20 0 EAADMP Cn1nnnc1C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676682 793845181 /nfs/dbraw/zinc/84/51/81/793845181.db2.gz HTIUZKRPRGEKPJ-GFCCVEGCSA-N 2 1 325.417 -1.131 20 0 EAADMP Cn1nnnc1C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676683 793848062 /nfs/dbraw/zinc/84/80/62/793848062.db2.gz HTIUZKRPRGEKPJ-LBPRGKRZSA-N 2 1 325.417 -1.131 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211026173 793858924 /nfs/dbraw/zinc/85/89/24/793858924.db2.gz UUDKRZAKKXKJCV-GRYCIOLGSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211026173 793858918 /nfs/dbraw/zinc/85/89/18/793858918.db2.gz UUDKRZAKKXKJCV-GRYCIOLGSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026173 793858910 /nfs/dbraw/zinc/85/89/10/793858910.db2.gz UUDKRZAKKXKJCV-GRYCIOLGSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026173 793858900 /nfs/dbraw/zinc/85/89/00/793858900.db2.gz UUDKRZAKKXKJCV-GRYCIOLGSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211026174 793858472 /nfs/dbraw/zinc/85/84/72/793858472.db2.gz UUDKRZAKKXKJCV-IJLUTSLNSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211026174 793858462 /nfs/dbraw/zinc/85/84/62/793858462.db2.gz UUDKRZAKKXKJCV-IJLUTSLNSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026174 793858452 /nfs/dbraw/zinc/85/84/52/793858452.db2.gz UUDKRZAKKXKJCV-IJLUTSLNSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026174 793858441 /nfs/dbraw/zinc/85/84/41/793858441.db2.gz UUDKRZAKKXKJCV-IJLUTSLNSA-N 2 1 325.413 -1.170 20 0 EAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001211026229 793860529 /nfs/dbraw/zinc/86/05/29/793860529.db2.gz WVNZMTUWZYOJSL-FRRDWIJNSA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001211026229 793860519 /nfs/dbraw/zinc/86/05/19/793860519.db2.gz WVNZMTUWZYOJSL-FRRDWIJNSA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026229 793860513 /nfs/dbraw/zinc/86/05/13/793860513.db2.gz WVNZMTUWZYOJSL-FRRDWIJNSA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001211026229 793860499 /nfs/dbraw/zinc/86/04/99/793860499.db2.gz WVNZMTUWZYOJSL-FRRDWIJNSA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001211026230 793859994 /nfs/dbraw/zinc/85/99/94/793859994.db2.gz WVNZMTUWZYOJSL-JHJVBQTASA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001211026230 793859984 /nfs/dbraw/zinc/85/99/84/793859984.db2.gz WVNZMTUWZYOJSL-JHJVBQTASA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026230 793859973 /nfs/dbraw/zinc/85/99/73/793859973.db2.gz WVNZMTUWZYOJSL-JHJVBQTASA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001211026230 793859962 /nfs/dbraw/zinc/85/99/62/793859962.db2.gz WVNZMTUWZYOJSL-JHJVBQTASA-N 2 1 332.470 -1.076 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065608 793859699 /nfs/dbraw/zinc/85/96/99/793859699.db2.gz XWTGKUHNZKSKDV-NEPJUHHUSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065609 793858991 /nfs/dbraw/zinc/85/89/91/793858991.db2.gz XWTGKUHNZKSKDV-NWDGAFQWSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211065610 793860098 /nfs/dbraw/zinc/86/00/98/793860098.db2.gz XWTGKUHNZKSKDV-RYUDHWBXSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211065611 793858852 /nfs/dbraw/zinc/85/88/52/793858852.db2.gz XWTGKUHNZKSKDV-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176815 793867456 /nfs/dbraw/zinc/86/74/56/793867456.db2.gz QDGUWXIKGGWDNX-NEPJUHHUSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176815 793867452 /nfs/dbraw/zinc/86/74/52/793867452.db2.gz QDGUWXIKGGWDNX-NEPJUHHUSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176816 793867353 /nfs/dbraw/zinc/86/73/53/793867353.db2.gz QDGUWXIKGGWDNX-NWDGAFQWSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176816 793867347 /nfs/dbraw/zinc/86/73/47/793867347.db2.gz QDGUWXIKGGWDNX-NWDGAFQWSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176817 793868465 /nfs/dbraw/zinc/86/84/65/793868465.db2.gz QDGUWXIKGGWDNX-RYUDHWBXSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176817 793868458 /nfs/dbraw/zinc/86/84/58/793868458.db2.gz QDGUWXIKGGWDNX-RYUDHWBXSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176818 793868807 /nfs/dbraw/zinc/86/88/07/793868807.db2.gz QDGUWXIKGGWDNX-VXGBXAGGSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001211176818 793868799 /nfs/dbraw/zinc/86/87/99/793868799.db2.gz QDGUWXIKGGWDNX-VXGBXAGGSA-N 2 1 341.412 -1.517 20 0 EAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374327 793888532 /nfs/dbraw/zinc/88/85/32/793888532.db2.gz AZPZUPDBPFDMOO-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374327 793888526 /nfs/dbraw/zinc/88/85/26/793888526.db2.gz AZPZUPDBPFDMOO-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP CO[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378021 793887359 /nfs/dbraw/zinc/88/73/59/793887359.db2.gz BEBKQAPBJMUYCY-CHWSQXEVSA-N 2 1 327.429 -1.221 20 0 EAADMP CO[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378021 793887346 /nfs/dbraw/zinc/88/73/46/793887346.db2.gz BEBKQAPBJMUYCY-CHWSQXEVSA-N 2 1 327.429 -1.221 20 0 EAADMP COCCOC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378206 793888002 /nfs/dbraw/zinc/88/80/02/793888002.db2.gz HDPICLBVNHBFKC-RBSFLKMASA-N 2 1 347.456 -1.223 20 0 EAADMP COCCOC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378207 793887426 /nfs/dbraw/zinc/88/74/26/793887426.db2.gz HDPICLBVNHBFKC-RRFJBIMHSA-N 2 1 347.456 -1.223 20 0 EAADMP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378218 793888658 /nfs/dbraw/zinc/88/86/58/793888658.db2.gz HTUGTAGERUQODD-VXGBXAGGSA-N 2 1 341.412 -1.695 20 0 EAADMP CO[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378218 793888652 /nfs/dbraw/zinc/88/86/52/793888652.db2.gz HTUGTAGERUQODD-VXGBXAGGSA-N 2 1 341.412 -1.695 20 0 EAADMP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378580 793888394 /nfs/dbraw/zinc/88/83/94/793888394.db2.gz XGIQJOZGCGIXDO-HUUCEWRRSA-N 2 1 344.456 -1.094 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580526 793900244 /nfs/dbraw/zinc/90/02/44/793900244.db2.gz DZVCZAYLASQVMZ-RBSFLKMASA-N 2 1 345.440 -1.469 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580526 793900234 /nfs/dbraw/zinc/90/02/34/793900234.db2.gz DZVCZAYLASQVMZ-RBSFLKMASA-N 2 1 345.440 -1.469 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580529 793901374 /nfs/dbraw/zinc/90/13/74/793901374.db2.gz DZVCZAYLASQVMZ-RRFJBIMHSA-N 2 1 345.440 -1.469 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580529 793901367 /nfs/dbraw/zinc/90/13/67/793901367.db2.gz DZVCZAYLASQVMZ-RRFJBIMHSA-N 2 1 345.440 -1.469 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725894 793909230 /nfs/dbraw/zinc/90/92/30/793909230.db2.gz MHABKAPXCDBTPP-BFHYXJOUSA-N 2 1 327.425 -1.095 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725895 793909027 /nfs/dbraw/zinc/90/90/27/793909027.db2.gz MHABKAPXCDBTPP-MGPQQGTHSA-N 2 1 327.425 -1.095 20 0 EAADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001213726264 793909098 /nfs/dbraw/zinc/90/90/98/793909098.db2.gz SSKFJEHJFHIPJZ-ZIAGYGMSSA-N 2 1 327.425 -1.094 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728788 793910832 /nfs/dbraw/zinc/91/08/32/793910832.db2.gz SQWXCKAUIAKBMT-MGPQQGTHSA-N 2 1 333.429 -1.613 20 0 EAADMP CO[C@@H]1C[N@@H+](CCOCCO)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730605 793912057 /nfs/dbraw/zinc/91/20/57/793912057.db2.gz SBQBNIZKXPHNRZ-ZIAGYGMSSA-N 2 1 333.429 -1.611 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730613 793910763 /nfs/dbraw/zinc/91/07/63/793910763.db2.gz SQWXCKAUIAKBMT-BFHYXJOUSA-N 2 1 333.429 -1.613 20 0 EAADMP CO[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730762 793910970 /nfs/dbraw/zinc/91/09/70/793910970.db2.gz WXCXDNOOZUUOMJ-ZIAGYGMSSA-N 2 1 340.428 -1.328 20 0 EAADMP CO[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730762 793910959 /nfs/dbraw/zinc/91/09/59/793910959.db2.gz WXCXDNOOZUUOMJ-ZIAGYGMSSA-N 2 1 340.428 -1.328 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344744 793932749 /nfs/dbraw/zinc/93/27/49/793932749.db2.gz XQBMMDRDGUHNLD-IJLUTSLNSA-N 2 1 325.413 -1.027 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214344746 793932531 /nfs/dbraw/zinc/93/25/31/793932531.db2.gz XQBMMDRDGUHNLD-UTUOFQBUSA-N 2 1 325.413 -1.027 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214387119 793932587 /nfs/dbraw/zinc/93/25/87/793932587.db2.gz SUESGYZRMPXUQV-GMTAPVOTSA-N 2 1 327.385 -2.052 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214387119 793932586 /nfs/dbraw/zinc/93/25/86/793932586.db2.gz SUESGYZRMPXUQV-GMTAPVOTSA-N 2 1 327.385 -2.052 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214387120 793932174 /nfs/dbraw/zinc/93/21/74/793932174.db2.gz SUESGYZRMPXUQV-MXWKQRLJSA-N 2 1 327.385 -2.052 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214387120 793932170 /nfs/dbraw/zinc/93/21/70/793932170.db2.gz SUESGYZRMPXUQV-MXWKQRLJSA-N 2 1 327.385 -2.052 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388740 793932404 /nfs/dbraw/zinc/93/24/04/793932404.db2.gz JEIDSGIYTZNQKE-IJLUTSLNSA-N 2 1 341.412 -1.791 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388740 793932401 /nfs/dbraw/zinc/93/24/01/793932401.db2.gz JEIDSGIYTZNQKE-IJLUTSLNSA-N 2 1 341.412 -1.791 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388741 793932497 /nfs/dbraw/zinc/93/24/97/793932497.db2.gz JEIDSGIYTZNQKE-UTUOFQBUSA-N 2 1 341.412 -1.791 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388741 793932495 /nfs/dbraw/zinc/93/24/95/793932495.db2.gz JEIDSGIYTZNQKE-UTUOFQBUSA-N 2 1 341.412 -1.791 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214388757 793933095 /nfs/dbraw/zinc/93/30/95/793933095.db2.gz JTILMRMWBVLMSY-JHJVBQTASA-N 2 1 348.469 -1.697 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214388757 793933088 /nfs/dbraw/zinc/93/30/88/793933088.db2.gz JTILMRMWBVLMSY-JHJVBQTASA-N 2 1 348.469 -1.697 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214388759 793932249 /nfs/dbraw/zinc/93/22/49/793932249.db2.gz JTILMRMWBVLMSY-UPJWGTAASA-N 2 1 348.469 -1.697 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214388759 793932245 /nfs/dbraw/zinc/93/22/45/793932245.db2.gz JTILMRMWBVLMSY-UPJWGTAASA-N 2 1 348.469 -1.697 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214664381 793939455 /nfs/dbraw/zinc/93/94/55/793939455.db2.gz ZWIMZEVJYCBDLQ-DDHJBXDOSA-N 2 1 325.413 -1.042 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214853395 793946354 /nfs/dbraw/zinc/94/63/54/793946354.db2.gz ZHWIHIVMOGDSHQ-MCIONIFRSA-N 2 1 336.440 -1.004 20 0 EAADMP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001214853400 793945384 /nfs/dbraw/zinc/94/53/84/793945384.db2.gz ZHWIHIVMOGDSHQ-MGPQQGTHSA-N 2 1 336.440 -1.004 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214950681 793948494 /nfs/dbraw/zinc/94/84/94/793948494.db2.gz WRJDRELRQNPEEL-DDHJBXDOSA-N 2 1 341.412 -1.663 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001215540615 793957727 /nfs/dbraw/zinc/95/77/27/793957727.db2.gz ODAGCBYKHVEGQQ-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215540616 793958283 /nfs/dbraw/zinc/95/82/83/793958283.db2.gz ODAGCBYKHVEGQQ-QJPTWQEYSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215930338 793962653 /nfs/dbraw/zinc/96/26/53/793962653.db2.gz YRDCUDWCPLFUMF-VXGBXAGGSA-N 2 1 341.412 -1.660 20 0 EAADMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216382793 793966624 /nfs/dbraw/zinc/96/66/24/793966624.db2.gz CUPGUHDCDNJBJZ-GRYCIOLGSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216382794 793966948 /nfs/dbraw/zinc/96/69/48/793966948.db2.gz CUPGUHDCDNJBJZ-IJLUTSLNSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]Cc1nnnn1C ZINC001216401618 793968582 /nfs/dbraw/zinc/96/85/82/793968582.db2.gz OFSIAKRWYBFTOS-VXGBXAGGSA-N 2 1 325.417 -1.275 20 0 EAADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216751949 793972155 /nfs/dbraw/zinc/97/21/55/793972155.db2.gz CUIZKISNFLPRGD-FRRDWIJNSA-N 2 1 332.470 -1.076 20 0 EAADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216751950 793971246 /nfs/dbraw/zinc/97/12/46/793971246.db2.gz CUIZKISNFLPRGD-JHJVBQTASA-N 2 1 332.470 -1.076 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754337 793971587 /nfs/dbraw/zinc/97/15/87/793971587.db2.gz PWHGFNUELVBLAH-GRYCIOLGSA-N 2 1 325.413 -1.170 20 0 EAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754338 793971508 /nfs/dbraw/zinc/97/15/08/793971508.db2.gz PWHGFNUELVBLAH-IJLUTSLNSA-N 2 1 325.413 -1.170 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001216801101 793974913 /nfs/dbraw/zinc/97/49/13/793974913.db2.gz JGVLLZAURYFMBX-IJLUTSLNSA-N 2 1 341.412 -1.662 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001216801101 793974903 /nfs/dbraw/zinc/97/49/03/793974903.db2.gz JGVLLZAURYFMBX-IJLUTSLNSA-N 2 1 341.412 -1.662 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001216801104 793975632 /nfs/dbraw/zinc/97/56/32/793975632.db2.gz JGVLLZAURYFMBX-UTUOFQBUSA-N 2 1 341.412 -1.662 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001216801104 793975630 /nfs/dbraw/zinc/97/56/30/793975630.db2.gz JGVLLZAURYFMBX-UTUOFQBUSA-N 2 1 341.412 -1.662 20 0 EAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ncn2)CC1 ZINC001218571946 794015230 /nfs/dbraw/zinc/01/52/30/794015230.db2.gz CXFPTXKWIKKQHB-GFCCVEGCSA-N 3 1 331.424 -1.024 20 0 EAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ncn2)CC1 ZINC001218571948 794014463 /nfs/dbraw/zinc/01/44/63/794014463.db2.gz CXFPTXKWIKKQHB-LBPRGKRZSA-N 3 1 331.424 -1.024 20 0 EAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)ncn2)CC1 ZINC001218573028 794015620 /nfs/dbraw/zinc/01/56/20/794015620.db2.gz QTSXMXYHOOTNAE-GFCCVEGCSA-N 2 1 347.423 -1.503 20 0 EAADMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)ncn2)CC1 ZINC001218573036 794015281 /nfs/dbraw/zinc/01/52/81/794015281.db2.gz QTSXMXYHOOTNAE-LBPRGKRZSA-N 2 1 347.423 -1.503 20 0 EAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cn2)CC1 ZINC001218579588 794015803 /nfs/dbraw/zinc/01/58/03/794015803.db2.gz GITIDLHOLVOSKC-CYBMUJFWSA-N 2 1 347.423 -1.503 20 0 EAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cn2)CC1 ZINC001218579589 794014662 /nfs/dbraw/zinc/01/46/62/794014662.db2.gz GITIDLHOLVOSKC-ZDUSSCGKSA-N 2 1 347.423 -1.503 20 0 EAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cn2)CC1 ZINC001218580988 794014275 /nfs/dbraw/zinc/01/42/75/794014275.db2.gz ZUWBZIZSRPVHJH-CYBMUJFWSA-N 3 1 331.424 -1.024 20 0 EAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cn2)CC1 ZINC001218580989 794015110 /nfs/dbraw/zinc/01/51/10/794015110.db2.gz ZUWBZIZSRPVHJH-ZDUSSCGKSA-N 3 1 331.424 -1.024 20 0 EAADMP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)C[NH2+]CCC[NH3+] ZINC001218704095 794020517 /nfs/dbraw/zinc/02/05/17/794020517.db2.gz KWSMJSBEARLIIW-UHFFFAOYSA-N 2 1 338.372 -2.161 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218742355 794022269 /nfs/dbraw/zinc/02/22/69/794022269.db2.gz DDJCZYQKIJGZSV-ONGXEEELSA-N 2 1 345.363 -1.087 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+](CCOCCO)C[C@@H]21 ZINC001218965784 794029783 /nfs/dbraw/zinc/02/97/83/794029783.db2.gz UCGJFGSPPKDIPE-LSDHHAIUSA-N 2 1 345.440 -1.515 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+](CCOCCO)C[C@@H]21 ZINC001218965784 794029776 /nfs/dbraw/zinc/02/97/76/794029776.db2.gz UCGJFGSPPKDIPE-LSDHHAIUSA-N 2 1 345.440 -1.515 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001218970547 794029806 /nfs/dbraw/zinc/02/98/06/794029806.db2.gz JFEISMIUSMKEGB-HZSPNIEDSA-N 2 1 340.424 -1.635 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]21 ZINC001218970547 794029800 /nfs/dbraw/zinc/02/98/00/794029800.db2.gz JFEISMIUSMKEGB-HZSPNIEDSA-N 2 1 340.424 -1.635 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001218970548 794030070 /nfs/dbraw/zinc/03/00/70/794030070.db2.gz JFEISMIUSMKEGB-MELADBBJSA-N 2 1 340.424 -1.635 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]21 ZINC001218970548 794030061 /nfs/dbraw/zinc/03/00/61/794030061.db2.gz JFEISMIUSMKEGB-MELADBBJSA-N 2 1 340.424 -1.635 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971037 794030504 /nfs/dbraw/zinc/03/05/04/794030504.db2.gz RONABOCPHNHQIO-QLFBSQMISA-N 2 1 345.440 -1.517 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971039 794031088 /nfs/dbraw/zinc/03/10/88/794031088.db2.gz RONABOCPHNHQIO-SOUVJXGZSA-N 2 1 345.440 -1.517 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001219032217 794031466 /nfs/dbraw/zinc/03/14/66/794031466.db2.gz VWTROUSDPXGRJC-QLFBSQMISA-N 2 1 327.425 -1.141 20 0 EAADMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001219032217 794031457 /nfs/dbraw/zinc/03/14/57/794031457.db2.gz VWTROUSDPXGRJC-QLFBSQMISA-N 2 1 327.425 -1.141 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219032217 794031447 /nfs/dbraw/zinc/03/14/47/794031447.db2.gz VWTROUSDPXGRJC-QLFBSQMISA-N 2 1 327.425 -1.141 20 0 EAADMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219032217 794031444 /nfs/dbraw/zinc/03/14/44/794031444.db2.gz VWTROUSDPXGRJC-QLFBSQMISA-N 2 1 327.425 -1.141 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCOCCO)C[C@@H]32)C1 ZINC001219032218 794031524 /nfs/dbraw/zinc/03/15/24/794031524.db2.gz VWTROUSDPXGRJC-SOUVJXGZSA-N 2 1 327.425 -1.141 20 0 EAADMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCOCCO)C[C@@H]32)C1 ZINC001219032218 794031517 /nfs/dbraw/zinc/03/15/17/794031517.db2.gz VWTROUSDPXGRJC-SOUVJXGZSA-N 2 1 327.425 -1.141 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219032218 794031509 /nfs/dbraw/zinc/03/15/09/794031509.db2.gz VWTROUSDPXGRJC-SOUVJXGZSA-N 2 1 327.425 -1.141 20 0 EAADMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCOCCO)C[C@@H]32)C1 ZINC001219032218 794031502 /nfs/dbraw/zinc/03/15/02/794031502.db2.gz VWTROUSDPXGRJC-SOUVJXGZSA-N 2 1 327.425 -1.141 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)OC2(CC[NH2+]CC2)C1 ZINC001219616770 794141806 /nfs/dbraw/zinc/14/18/06/794141806.db2.gz CNGOUEXCENHSDH-DVOMOZLQSA-N 3 1 344.431 -1.382 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)OC2(CC[NH2+]CC2)C1 ZINC001219616771 794144090 /nfs/dbraw/zinc/14/40/90/794144090.db2.gz CNGOUEXCENHSDH-HEHGZKQESA-N 3 1 344.431 -1.382 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219643473 794149883 /nfs/dbraw/zinc/14/98/83/794149883.db2.gz VJXLPSOPBZQXBH-KFWWJZLASA-N 2 1 327.425 -1.502 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001219643473 794149880 /nfs/dbraw/zinc/14/98/80/794149880.db2.gz VJXLPSOPBZQXBH-KFWWJZLASA-N 2 1 327.425 -1.502 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219643474 794150046 /nfs/dbraw/zinc/15/00/46/794150046.db2.gz VJXLPSOPBZQXBH-ZNMIVQPWSA-N 2 1 327.425 -1.502 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001219643474 794150039 /nfs/dbraw/zinc/15/00/39/794150039.db2.gz VJXLPSOPBZQXBH-ZNMIVQPWSA-N 2 1 327.425 -1.502 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC[NH+]1C ZINC001219660512 794151671 /nfs/dbraw/zinc/15/16/71/794151671.db2.gz AXBDLIAFOIXFOX-YJNKXOJESA-N 2 1 329.441 -1.113 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC[NH+]1C ZINC001219660512 794151665 /nfs/dbraw/zinc/15/16/65/794151665.db2.gz AXBDLIAFOIXFOX-YJNKXOJESA-N 2 1 329.441 -1.113 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)CC[N@H+]1C ZINC001219660512 794151659 /nfs/dbraw/zinc/15/16/59/794151659.db2.gz AXBDLIAFOIXFOX-YJNKXOJESA-N 2 1 329.441 -1.113 20 0 EAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001219660512 794151654 /nfs/dbraw/zinc/15/16/54/794151654.db2.gz AXBDLIAFOIXFOX-YJNKXOJESA-N 2 1 329.441 -1.113 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219676126 794154759 /nfs/dbraw/zinc/15/47/59/794154759.db2.gz AEXVNTGXOPBPNU-LLVKDONJSA-N 2 1 347.441 -3.332 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219676131 794155494 /nfs/dbraw/zinc/15/54/94/794155494.db2.gz AEXVNTGXOPBPNU-NSHDSACASA-N 2 1 347.441 -3.332 20 0 EAADMP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676212 794154987 /nfs/dbraw/zinc/15/49/87/794154987.db2.gz BLEJTGLCIJSTRR-YNEHKIRRSA-N 2 1 346.453 -1.895 20 0 EAADMP O=C(C[C@]1(O)CCC[NH2+]C1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676247 794154532 /nfs/dbraw/zinc/15/45/32/794154532.db2.gz CRVPAHIDEULZRK-CYBMUJFWSA-N 2 1 334.442 -2.158 20 0 EAADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676248 794154896 /nfs/dbraw/zinc/15/48/96/794154896.db2.gz CRVPAHIDEULZRK-ZDUSSCGKSA-N 2 1 334.442 -2.158 20 0 EAADMP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676259 794155344 /nfs/dbraw/zinc/15/53/44/794155344.db2.gz CYIPZJIPKPEYOU-ZDUSSCGKSA-N 3 1 349.501 -1.603 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219676276 794154840 /nfs/dbraw/zinc/15/48/40/794154840.db2.gz DKWWVFVMHCACRW-RWMBFGLXSA-N 2 1 346.453 -1.895 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001219676350 794154888 /nfs/dbraw/zinc/15/48/88/794154888.db2.gz HBSPCWJYFUQPAJ-JHJVBQTASA-N 2 1 346.453 -1.753 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001219676362 794155333 /nfs/dbraw/zinc/15/53/33/794155333.db2.gz HKPDHBXHGYYVNH-XYYAHUGASA-N 2 1 330.454 -1.417 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001219676367 794154919 /nfs/dbraw/zinc/15/49/19/794154919.db2.gz HSKQICWACHDVEB-RWMBFGLXSA-N 2 1 346.453 -1.895 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219676401 794155582 /nfs/dbraw/zinc/15/55/82/794155582.db2.gz JBORKHSAARFIPN-SDDRHHMPSA-N 2 1 331.442 -2.713 20 0 EAADMP [NH3+][C@@H](Cn1cccn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676465 794155098 /nfs/dbraw/zinc/15/50/98/794155098.db2.gz LOLOZAGGFMYGRU-NSHDSACASA-N 2 1 330.414 -2.438 20 0 EAADMP [NH3+][C@@H](Cc1ccsc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676471 794155563 /nfs/dbraw/zinc/15/55/63/794155563.db2.gz LSWLDXFJJZIMAZ-LBPRGKRZSA-N 2 1 346.478 -1.031 20 0 EAADMP O=C(CNC1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676477 794154867 /nfs/dbraw/zinc/15/48/67/794154867.db2.gz LVSKTBDBWNKAQR-UHFFFAOYSA-N 2 1 333.458 -2.321 20 0 EAADMP C[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C[C@@H]1O ZINC001219676505 794155007 /nfs/dbraw/zinc/15/50/07/794155007.db2.gz MWFPKPPWFYFSEF-AAEUAGOBSA-N 2 1 334.442 -2.302 20 0 EAADMP C[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C[C@H]1O ZINC001219676506 794155622 /nfs/dbraw/zinc/15/56/22/794155622.db2.gz MWFPKPPWFYFSEF-DGCLKSJQSA-N 2 1 334.442 -2.302 20 0 EAADMP C[C@@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C[C@@H]1O ZINC001219676507 794155547 /nfs/dbraw/zinc/15/55/47/794155547.db2.gz MWFPKPPWFYFSEF-WCQYABFASA-N 2 1 334.442 -2.302 20 0 EAADMP C[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CC[NH2+]C[C@H]1O ZINC001219676508 794155220 /nfs/dbraw/zinc/15/52/20/794155220.db2.gz MWFPKPPWFYFSEF-YPMHNXCESA-N 2 1 334.442 -2.302 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219676509 794155263 /nfs/dbraw/zinc/15/52/63/794155263.db2.gz NCVAKTBTDGTKRM-VHSXEESVSA-N 2 1 331.398 -2.688 20 0 EAADMP COC(=O)CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676511 794154997 /nfs/dbraw/zinc/15/49/97/794154997.db2.gz NEMQYTNSAIHKMW-JTQLQIEISA-N 2 1 336.414 -2.382 20 0 EAADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676512 794154819 /nfs/dbraw/zinc/15/48/19/794154819.db2.gz NEMQYTNSAIHKMW-SNVBAGLBSA-N 2 1 336.414 -2.382 20 0 EAADMP O=C(COC1CC[NH2+]CC1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676516 794155277 /nfs/dbraw/zinc/15/52/77/794155277.db2.gz NIHMPYSOAJVKQV-UHFFFAOYSA-N 2 1 334.442 -1.894 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219676527 794154625 /nfs/dbraw/zinc/15/46/25/794154625.db2.gz NTEHYWWLXXHPTA-AAEUAGOBSA-N 2 1 332.426 -2.426 20 0 EAADMP Cn1cncc1C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676570 794155361 /nfs/dbraw/zinc/15/53/61/794155361.db2.gz PEAICHQCYXTXJO-LBPRGKRZSA-N 2 1 344.441 -2.359 20 0 EAADMP [NH3+]CCNC(=O)/C=C/C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676597 794154543 /nfs/dbraw/zinc/15/45/43/794154543.db2.gz QGBSLEYVYSWKLZ-OWOJBTEDSA-N 2 1 333.414 -3.031 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219676668 794155137 /nfs/dbraw/zinc/15/51/37/794155137.db2.gz SKMMFLYMRYBWBB-AAEUAGOBSA-N 2 1 331.442 -2.711 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219676669 794155459 /nfs/dbraw/zinc/15/54/59/794155459.db2.gz SKMMFLYMRYBWBB-DGCLKSJQSA-N 2 1 331.442 -2.711 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219676670 794154795 /nfs/dbraw/zinc/15/47/95/794154795.db2.gz SKMMFLYMRYBWBB-WCQYABFASA-N 2 1 331.442 -2.711 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219676671 794154855 /nfs/dbraw/zinc/15/48/55/794154855.db2.gz SKMMFLYMRYBWBB-YPMHNXCESA-N 2 1 331.442 -2.711 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCSC12C[NH2+]C2 ZINC001219676690 794154925 /nfs/dbraw/zinc/15/49/25/794154925.db2.gz SYEJSOJVTXBIED-LLVKDONJSA-N 2 1 348.494 -1.567 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCSC12C[NH2+]C2 ZINC001219676691 794154846 /nfs/dbraw/zinc/15/48/46/794154846.db2.gz SYEJSOJVTXBIED-NSHDSACASA-N 2 1 348.494 -1.567 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219676696 794154469 /nfs/dbraw/zinc/15/44/69/794154469.db2.gz TYDSPYJTKYIPDK-LLVKDONJSA-N 2 1 345.425 -3.184 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219676697 794155169 /nfs/dbraw/zinc/15/51/69/794155169.db2.gz TYDSPYJTKYIPDK-NSHDSACASA-N 2 1 345.425 -3.184 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219676719 794154578 /nfs/dbraw/zinc/15/45/78/794154578.db2.gz USSHKRRPXIXOQW-LLVKDONJSA-N 2 1 332.426 -2.141 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219676720 794154657 /nfs/dbraw/zinc/15/46/57/794154657.db2.gz USSHKRRPXIXOQW-NSHDSACASA-N 2 1 332.426 -2.141 20 0 EAADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676729 794155028 /nfs/dbraw/zinc/15/50/28/794155028.db2.gz UXJGFXCFIBJHNC-LBPRGKRZSA-N 3 1 335.474 -1.945 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219676734 794155476 /nfs/dbraw/zinc/15/54/76/794155476.db2.gz VCBHUSCPVIBRKE-GRYCIOLGSA-N 2 1 332.426 -2.428 20 0 EAADMP [NH3+][C@@H](Cc1cscn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676746 794155633 /nfs/dbraw/zinc/15/56/33/794155633.db2.gz VYMYMWMPVVUXTK-NSHDSACASA-N 2 1 347.466 -1.636 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219676770 794155446 /nfs/dbraw/zinc/15/54/46/794155446.db2.gz XJYVEGUAGHQZKT-QJPTWQEYSA-N 2 1 332.426 -2.286 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219676832 794154826 /nfs/dbraw/zinc/15/48/26/794154826.db2.gz XOYOXXZYAMUZOT-TZMCWYRMSA-N 3 1 345.469 -2.463 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219676867 794155524 /nfs/dbraw/zinc/15/55/24/794155524.db2.gz YAHDUQDHDHOJMJ-LLVKDONJSA-N 3 1 331.442 -2.853 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219676870 794154722 /nfs/dbraw/zinc/15/47/22/794154722.db2.gz YAHDUQDHDHOJMJ-NSHDSACASA-N 3 1 331.442 -2.853 20 0 EAADMP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CCOCC1 ZINC001219678060 794156690 /nfs/dbraw/zinc/15/66/90/794156690.db2.gz ARHMBOLRWYWKCA-LBPRGKRZSA-N 2 1 334.442 -1.909 20 0 EAADMP NC(=O)CC[C@H]([NH3+])CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678075 794156950 /nfs/dbraw/zinc/15/69/50/794156950.db2.gz BJRGVWZLMLJLNL-JTQLQIEISA-N 2 1 335.430 -2.680 20 0 EAADMP CN(CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001219678097 794156362 /nfs/dbraw/zinc/15/63/62/794156362.db2.gz CJFBUCNGBKDLMB-CYBMUJFWSA-N 2 1 347.485 -1.979 20 0 EAADMP CN(CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001219678098 794156334 /nfs/dbraw/zinc/15/63/34/794156334.db2.gz CJFBUCNGBKDLMB-ZDUSSCGKSA-N 2 1 347.485 -1.979 20 0 EAADMP NC(=[NH2+])NCCCCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678105 794156244 /nfs/dbraw/zinc/15/62/44/794156244.db2.gz COJKGRVKYAFTQR-UHFFFAOYSA-N 2 1 334.446 -2.009 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678141 794157179 /nfs/dbraw/zinc/15/71/79/794157179.db2.gz FEMHVKKYHYTJGP-UWVGGRQHSA-N 2 1 335.430 -2.811 20 0 EAADMP [NH3+][C@@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001219678143 794156971 /nfs/dbraw/zinc/15/69/71/794156971.db2.gz FFMDXOKZPJUZBA-GFCCVEGCSA-N 3 1 333.458 -2.336 20 0 EAADMP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001219678144 794156636 /nfs/dbraw/zinc/15/66/36/794156636.db2.gz FFMDXOKZPJUZBA-LBPRGKRZSA-N 3 1 333.458 -2.336 20 0 EAADMP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678179 794156962 /nfs/dbraw/zinc/15/69/62/794156962.db2.gz GFYHMDBSNKPUHQ-NEPJUHHUSA-N 2 1 348.425 -2.511 20 0 EAADMP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678180 794156996 /nfs/dbraw/zinc/15/69/96/794156996.db2.gz GFYHMDBSNKPUHQ-NWDGAFQWSA-N 2 1 348.425 -2.511 20 0 EAADMP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678181 794156671 /nfs/dbraw/zinc/15/66/71/794156671.db2.gz GFYHMDBSNKPUHQ-RYUDHWBXSA-N 2 1 348.425 -2.511 20 0 EAADMP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678182 794157087 /nfs/dbraw/zinc/15/70/87/794157087.db2.gz GFYHMDBSNKPUHQ-VXGBXAGGSA-N 2 1 348.425 -2.511 20 0 EAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678195 794156027 /nfs/dbraw/zinc/15/60/27/794156027.db2.gz GWCCENAXMWJMQE-NSHDSACASA-N 2 1 347.441 -2.794 20 0 EAADMP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678208 794156425 /nfs/dbraw/zinc/15/64/25/794156425.db2.gz HITWZQCEYLAQFH-NSHDSACASA-N 2 1 336.458 -1.520 20 0 EAADMP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678240 794156016 /nfs/dbraw/zinc/15/60/16/794156016.db2.gz IHSQAXKEFJQITE-SRVKXCTJSA-N 2 1 330.454 -1.418 20 0 EAADMP [NH3+]C12CCC(C(=O)NCCS(=O)(=O)N3CC[NH2+]CC3)(CC1)C2 ZINC001219678267 794156814 /nfs/dbraw/zinc/15/68/14/794156814.db2.gz IVMDLEQYFQCVJE-UHFFFAOYSA-N 2 1 330.454 -1.001 20 0 EAADMP [NH3+]CCOCCOCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678284 794155203 /nfs/dbraw/zinc/15/52/03/794155203.db2.gz JLRXPTHVFXHLRR-UHFFFAOYSA-N 2 1 338.430 -2.671 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001219678337 794156941 /nfs/dbraw/zinc/15/69/41/794156941.db2.gz LBRGUIWWXSUQNB-JHJVBQTASA-N 2 1 346.453 -2.038 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001219678338 794156310 /nfs/dbraw/zinc/15/63/10/794156310.db2.gz LBRGUIWWXSUQNB-UPJWGTAASA-N 2 1 346.453 -2.038 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001219678339 794156049 /nfs/dbraw/zinc/15/60/49/794156049.db2.gz LBRGUIWWXSUQNB-XQQFMLRXSA-N 2 1 346.453 -2.038 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001219678340 794156112 /nfs/dbraw/zinc/15/61/12/794156112.db2.gz LBRGUIWWXSUQNB-YNEHKIRRSA-N 2 1 346.453 -2.038 20 0 EAADMP CCOC(=O)C1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]C1 ZINC001219678343 794157202 /nfs/dbraw/zinc/15/72/02/794157202.db2.gz LILVXSFYTMEVDY-UHFFFAOYSA-N 2 1 348.425 -2.510 20 0 EAADMP O=C(C[C@H]1CC[NH2+]C[C@@H]1F)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678376 794156483 /nfs/dbraw/zinc/15/64/83/794156483.db2.gz MJIHRSXBVWWTRB-NEPJUHHUSA-N 2 1 336.433 -1.325 20 0 EAADMP O=C(C[C@@H]1CC[NH2+]C[C@H]1F)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678377 794156706 /nfs/dbraw/zinc/15/67/06/794156706.db2.gz MJIHRSXBVWWTRB-NWDGAFQWSA-N 2 1 336.433 -1.325 20 0 EAADMP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678378 794156175 /nfs/dbraw/zinc/15/61/75/794156175.db2.gz MJIHRSXBVWWTRB-RYUDHWBXSA-N 2 1 336.433 -1.325 20 0 EAADMP O=C(C[C@H]1CC[NH2+]C[C@H]1F)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678379 794156605 /nfs/dbraw/zinc/15/66/05/794156605.db2.gz MJIHRSXBVWWTRB-VXGBXAGGSA-N 2 1 336.433 -1.325 20 0 EAADMP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678396 794157112 /nfs/dbraw/zinc/15/71/12/794157112.db2.gz NATUPGJCDQHQGH-NSHDSACASA-N 2 1 347.441 -2.713 20 0 EAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678435 794156928 /nfs/dbraw/zinc/15/69/28/794156928.db2.gz OBNQCGPKGDAJEF-JTQLQIEISA-N 3 1 339.487 -2.643 20 0 EAADMP CO[C@@H]1CC[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678460 794156160 /nfs/dbraw/zinc/15/61/60/794156160.db2.gz OWDPDLAPVYYKBN-NEPJUHHUSA-N 2 1 334.442 -1.895 20 0 EAADMP CO[C@H]1CC[NH2+][C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678461 794156320 /nfs/dbraw/zinc/15/63/20/794156320.db2.gz OWDPDLAPVYYKBN-NWDGAFQWSA-N 2 1 334.442 -1.895 20 0 EAADMP CO[C@H]1CC[NH2+][C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678462 794157193 /nfs/dbraw/zinc/15/71/93/794157193.db2.gz OWDPDLAPVYYKBN-RYUDHWBXSA-N 2 1 334.442 -1.895 20 0 EAADMP CO[C@@H]1CC[NH2+][C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001219678463 794156039 /nfs/dbraw/zinc/15/60/39/794156039.db2.gz OWDPDLAPVYYKBN-VXGBXAGGSA-N 2 1 334.442 -1.895 20 0 EAADMP O=C(C[C@H]1C[NH2+]CC1(F)F)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678506 794157164 /nfs/dbraw/zinc/15/71/64/794157164.db2.gz QXIHUAHZPGMGIC-JTQLQIEISA-N 2 1 340.396 -1.418 20 0 EAADMP O=C(C[C@@H]1C[NH2+]CC1(F)F)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678507 794156863 /nfs/dbraw/zinc/15/68/63/794156863.db2.gz QXIHUAHZPGMGIC-SNVBAGLBSA-N 2 1 340.396 -1.418 20 0 EAADMP [NH3+]C1(CC(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCOCC1 ZINC001219678509 794156203 /nfs/dbraw/zinc/15/62/03/794156203.db2.gz QZJFTXWDITVCJR-UHFFFAOYSA-N 2 1 334.442 -1.764 20 0 EAADMP C[S@](=O)CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678601 794157198 /nfs/dbraw/zinc/15/71/98/794157198.db2.gz VUTIFCBZSGVTGY-FVINQWEUSA-N 2 1 340.471 -2.567 20 0 EAADMP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678602 794156466 /nfs/dbraw/zinc/15/64/66/794156466.db2.gz VUTIFCBZSGVTGY-WVDJIFEKSA-N 2 1 340.471 -2.567 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC001219678631 794156147 /nfs/dbraw/zinc/15/61/47/794156147.db2.gz XMMNEUNVPQZGIG-JTQLQIEISA-N 2 1 340.396 -1.418 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CCC1(F)F ZINC001219678632 794157042 /nfs/dbraw/zinc/15/70/42/794157042.db2.gz XMMNEUNVPQZGIG-SNVBAGLBSA-N 2 1 340.396 -1.418 20 0 EAADMP CC1(C)[C@H](C[NH3+])C[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678645 794156155 /nfs/dbraw/zinc/15/61/55/794156155.db2.gz XXFXDIDLTZFLDF-NWDGAFQWSA-N 2 1 332.470 -1.041 20 0 EAADMP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678661 794156582 /nfs/dbraw/zinc/15/65/82/794156582.db2.gz YVQAJZJKTJCFLG-LBPRGKRZSA-N 3 1 335.474 -1.816 20 0 EAADMP [NH3+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678678 794157128 /nfs/dbraw/zinc/15/71/28/794157128.db2.gz ZOIRDVKHUGWYCB-MROQNXINSA-N 2 1 330.454 -1.289 20 0 EAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC001219680331 794158185 /nfs/dbraw/zinc/15/81/85/794158185.db2.gz COYAIMWCGXQTCO-UHFFFAOYSA-N 2 1 342.425 -1.980 20 0 EAADMP [NH3+]Cc1ccc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cn1 ZINC001219680367 794158272 /nfs/dbraw/zinc/15/82/72/794158272.db2.gz FHICJJGTYULNDG-UHFFFAOYSA-N 2 1 327.410 -1.495 20 0 EAADMP [NH3+]Cc1ccnc(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC001219680513 794157758 /nfs/dbraw/zinc/15/77/58/794157758.db2.gz KNFVVUIDXCCNGP-UHFFFAOYSA-N 2 1 327.410 -1.495 20 0 EAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219724433 794163417 /nfs/dbraw/zinc/16/34/17/794163417.db2.gz LCISIRKYENYCBC-MCIONIFRSA-N 2 1 335.420 -1.164 20 0 EAADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219724433 794163413 /nfs/dbraw/zinc/16/34/13/794163413.db2.gz LCISIRKYENYCBC-MCIONIFRSA-N 2 1 335.420 -1.164 20 0 EAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O ZINC001219724434 794162763 /nfs/dbraw/zinc/16/27/63/794162763.db2.gz LCISIRKYENYCBC-MJBXVCDLSA-N 2 1 335.420 -1.164 20 0 EAADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001219724434 794162758 /nfs/dbraw/zinc/16/27/58/794162758.db2.gz LCISIRKYENYCBC-MJBXVCDLSA-N 2 1 335.420 -1.164 20 0 EAADMP CN1C[C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736885 794170027 /nfs/dbraw/zinc/17/00/27/794170027.db2.gz KNPQIIKIMMYKPN-KBPBESRZSA-N 2 1 338.452 -1.066 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736885 794170024 /nfs/dbraw/zinc/17/00/24/794170024.db2.gz KNPQIIKIMMYKPN-KBPBESRZSA-N 3 1 338.452 -1.066 20 0 EAADMP CN1C[C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736886 794170059 /nfs/dbraw/zinc/17/00/59/794170059.db2.gz KNPQIIKIMMYKPN-KGLIPLIRSA-N 2 1 338.452 -1.066 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736886 794170055 /nfs/dbraw/zinc/17/00/55/794170055.db2.gz KNPQIIKIMMYKPN-KGLIPLIRSA-N 3 1 338.452 -1.066 20 0 EAADMP CN1C[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736887 794170216 /nfs/dbraw/zinc/17/02/16/794170216.db2.gz KNPQIIKIMMYKPN-UONOGXRCSA-N 2 1 338.452 -1.066 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736887 794170211 /nfs/dbraw/zinc/17/02/11/794170211.db2.gz KNPQIIKIMMYKPN-UONOGXRCSA-N 3 1 338.452 -1.066 20 0 EAADMP CN1C[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736888 794169272 /nfs/dbraw/zinc/16/92/72/794169272.db2.gz KNPQIIKIMMYKPN-ZIAGYGMSSA-N 2 1 338.452 -1.066 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)OC2(CC[NH2+]CC2)C1 ZINC001219736888 794169266 /nfs/dbraw/zinc/16/92/66/794169266.db2.gz KNPQIIKIMMYKPN-ZIAGYGMSSA-N 3 1 338.452 -1.066 20 0 EAADMP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764210 794179243 /nfs/dbraw/zinc/17/92/43/794179243.db2.gz ASSGDNDKOUZNHI-AGIUHOORSA-N 2 1 329.470 -1.450 20 0 EAADMP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764210 794179240 /nfs/dbraw/zinc/17/92/40/794179240.db2.gz ASSGDNDKOUZNHI-AGIUHOORSA-N 2 1 329.470 -1.450 20 0 EAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764398 794179227 /nfs/dbraw/zinc/17/92/27/794179227.db2.gz FEPPOILMXXPSBV-NEPJUHHUSA-N 2 1 333.458 -2.383 20 0 EAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764398 794179224 /nfs/dbraw/zinc/17/92/24/794179224.db2.gz FEPPOILMXXPSBV-NEPJUHHUSA-N 2 1 333.458 -2.383 20 0 EAADMP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219764613 794179256 /nfs/dbraw/zinc/17/92/56/794179256.db2.gz IYEDICYHENCQIL-RDBSUJKOSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219764613 794179254 /nfs/dbraw/zinc/17/92/54/794179254.db2.gz IYEDICYHENCQIL-RDBSUJKOSA-N 2 1 325.457 -1.114 20 0 EAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219765071 794179750 /nfs/dbraw/zinc/17/97/50/794179750.db2.gz UBZYCYJNFBMKCO-HZSPNIEDSA-N 2 1 335.452 -1.488 20 0 EAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219765071 794179746 /nfs/dbraw/zinc/17/97/46/794179746.db2.gz UBZYCYJNFBMKCO-HZSPNIEDSA-N 2 1 335.452 -1.488 20 0 EAADMP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219765072 794179337 /nfs/dbraw/zinc/17/93/37/794179337.db2.gz UBZYCYJNFBMKCO-RDBSUJKOSA-N 2 1 335.452 -1.488 20 0 EAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219765072 794179334 /nfs/dbraw/zinc/17/93/34/794179334.db2.gz UBZYCYJNFBMKCO-RDBSUJKOSA-N 2 1 335.452 -1.488 20 0 EAADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765940 794179121 /nfs/dbraw/zinc/17/91/21/794179121.db2.gz IVWIBLQFVRMSOI-RDBSUJKOSA-N 2 1 325.457 -1.114 20 0 EAADMP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765940 794179118 /nfs/dbraw/zinc/17/91/18/794179118.db2.gz IVWIBLQFVRMSOI-RDBSUJKOSA-N 2 1 325.457 -1.114 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765977 794179793 /nfs/dbraw/zinc/17/97/93/794179793.db2.gz JYJYQPSZRWYWDS-USZNOCQGSA-N 2 1 340.428 -2.896 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765977 794179786 /nfs/dbraw/zinc/17/97/86/794179786.db2.gz JYJYQPSZRWYWDS-USZNOCQGSA-N 2 1 340.428 -2.896 20 0 EAADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766567 794179368 /nfs/dbraw/zinc/17/93/68/794179368.db2.gz WMHGOVIFSLLUQT-XFMPKHEZSA-N 2 1 325.457 -1.114 20 0 EAADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766567 794179365 /nfs/dbraw/zinc/17/93/65/794179365.db2.gz WMHGOVIFSLLUQT-XFMPKHEZSA-N 2 1 325.457 -1.114 20 0 EAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219766600 794178603 /nfs/dbraw/zinc/17/86/03/794178603.db2.gz XXAQPPRYTMAGPE-KGLIPLIRSA-N 2 1 345.451 -1.090 20 0 EAADMP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219766600 794178595 /nfs/dbraw/zinc/17/85/95/794178595.db2.gz XXAQPPRYTMAGPE-KGLIPLIRSA-N 2 1 345.451 -1.090 20 0 EAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219793184 794184867 /nfs/dbraw/zinc/18/48/67/794184867.db2.gz BKZYPMOSHNCGIK-HNNXBMFYSA-N 2 1 337.468 -1.351 20 0 EAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219793185 794184242 /nfs/dbraw/zinc/18/42/42/794184242.db2.gz BKZYPMOSHNCGIK-OAHLLOKOSA-N 2 1 337.468 -1.351 20 0 EAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219793419 794185148 /nfs/dbraw/zinc/18/51/48/794185148.db2.gz FYMIWZUIXFYRCH-HNNXBMFYSA-N 2 1 335.452 -1.203 20 0 EAADMP O=C(NC1CCN(C2CC[NH2+]CC2)CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219793421 794185000 /nfs/dbraw/zinc/18/50/00/794185000.db2.gz FYMIWZUIXFYRCH-OAHLLOKOSA-N 2 1 335.452 -1.203 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802686 794183760 /nfs/dbraw/zinc/18/37/60/794183760.db2.gz AEIIOSFMGANRGE-GXTWGEPZSA-N 2 1 325.457 -1.378 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802687 794183989 /nfs/dbraw/zinc/18/39/89/794183989.db2.gz AEIIOSFMGANRGE-JSGCOSHPSA-N 2 1 325.457 -1.378 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802688 794183966 /nfs/dbraw/zinc/18/39/66/794183966.db2.gz AEIIOSFMGANRGE-OCCSQVGLSA-N 2 1 325.457 -1.378 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802689 794184279 /nfs/dbraw/zinc/18/42/79/794184279.db2.gz AEIIOSFMGANRGE-TZMCWYRMSA-N 2 1 325.457 -1.378 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219805588 794185958 /nfs/dbraw/zinc/18/59/58/794185958.db2.gz ABGPTTAOGSPRNR-FRRDWIJNSA-N 2 1 333.392 -1.413 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219805605 794185997 /nfs/dbraw/zinc/18/59/97/794185997.db2.gz ALCHWIHWHWSGME-SJKOYZFVSA-N 3 1 346.435 -1.448 20 0 EAADMP CCOC(=O)C1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)C[NH2+]C1 ZINC001219805642 794185945 /nfs/dbraw/zinc/18/59/45/794185945.db2.gz BFTKYZLMODCAPS-UHFFFAOYSA-N 2 1 349.391 -1.495 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001219805649 794186688 /nfs/dbraw/zinc/18/66/88/794186688.db2.gz BLHUDEQGVFQYIP-ZBEGNZNMSA-N 2 1 333.392 -1.411 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219805652 794186426 /nfs/dbraw/zinc/18/64/26/794186426.db2.gz BMMBYZOHXINAQE-INIZCTEOSA-N 2 1 346.391 -1.139 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219805653 794185826 /nfs/dbraw/zinc/18/58/26/794185826.db2.gz BMMBYZOHXINAQE-MRXNPFEDSA-N 2 1 346.391 -1.139 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219805736 794186240 /nfs/dbraw/zinc/18/62/40/794186240.db2.gz BXHVNUWXUYXOCU-AWEZNQCLSA-N 2 1 346.391 -2.169 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219805739 794185922 /nfs/dbraw/zinc/18/59/22/794185922.db2.gz BXHVNUWXUYXOCU-CQSZACIVSA-N 2 1 346.391 -2.169 20 0 EAADMP [NH3+][C@H](C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1CC[NH2+]CC1 ZINC001219805760 794185651 /nfs/dbraw/zinc/18/56/51/794185651.db2.gz CGHXRLVXLNXYQI-HNNXBMFYSA-N 3 1 334.424 -1.320 20 0 EAADMP [NH3+][C@@H](C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1CC[NH2+]CC1 ZINC001219805761 794186524 /nfs/dbraw/zinc/18/65/24/794186524.db2.gz CGHXRLVXLNXYQI-OAHLLOKOSA-N 3 1 334.424 -1.320 20 0 EAADMP [NH3+]CCNC(=O)/C=C/C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219805833 794185783 /nfs/dbraw/zinc/18/57/83/794185783.db2.gz DUPUWMWQNPHJSK-NSCUHMNNSA-N 2 1 334.380 -2.016 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001219806073 794186154 /nfs/dbraw/zinc/18/61/54/794186154.db2.gz IYKNUXQZQDLARC-WDEREUQCSA-N 2 1 332.364 -1.673 20 0 EAADMP NC(=O)CC[C@H]([NH3+])CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806096 794186381 /nfs/dbraw/zinc/18/63/81/794186381.db2.gz JQGRQEGXKFVCRJ-JTQLQIEISA-N 2 1 336.396 -1.664 20 0 EAADMP C[C@@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]C[C@@H]1O ZINC001219806137 794186107 /nfs/dbraw/zinc/18/61/07/794186107.db2.gz LFUDHSYEEHJUSZ-BLLLJJGKSA-N 2 1 335.408 -1.287 20 0 EAADMP C[C@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]C[C@@H]1O ZINC001219806138 794185638 /nfs/dbraw/zinc/18/56/38/794185638.db2.gz LFUDHSYEEHJUSZ-LRDDRELGSA-N 2 1 335.408 -1.287 20 0 EAADMP C[C@@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]C[C@H]1O ZINC001219806139 794186253 /nfs/dbraw/zinc/18/62/53/794186253.db2.gz LFUDHSYEEHJUSZ-MLGOLLRUSA-N 2 1 335.408 -1.287 20 0 EAADMP C[C@]1(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)CC[NH2+]C[C@H]1O ZINC001219806140 794186065 /nfs/dbraw/zinc/18/60/65/794186065.db2.gz LFUDHSYEEHJUSZ-WBMJQRKESA-N 2 1 335.408 -1.287 20 0 EAADMP [NH3+]CCOCCOCC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806157 794186709 /nfs/dbraw/zinc/18/67/09/794186709.db2.gz LZJZPBPTHYTJJQ-UHFFFAOYSA-N 2 1 339.396 -1.655 20 0 EAADMP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806186 794185818 /nfs/dbraw/zinc/18/58/18/794185818.db2.gz NBWNGQCYECMVGW-BSNNYGBQSA-N 2 1 341.437 -1.551 20 0 EAADMP C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806187 794186175 /nfs/dbraw/zinc/18/61/75/794186175.db2.gz NBWNGQCYECMVGW-RULNZOCKSA-N 2 1 341.437 -1.551 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806257 794185589 /nfs/dbraw/zinc/18/55/89/794185589.db2.gz POIYGOHVTHCXQY-UWVGGRQHSA-N 2 1 336.396 -1.795 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219806309 794186302 /nfs/dbraw/zinc/18/63/02/794186302.db2.gz QZESVFLYYVJPSM-GFCCVEGCSA-N 2 1 348.407 -2.317 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219806310 794186451 /nfs/dbraw/zinc/18/64/51/794186451.db2.gz QZESVFLYYVJPSM-LBPRGKRZSA-N 2 1 348.407 -2.317 20 0 EAADMP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806351 794185913 /nfs/dbraw/zinc/18/59/13/794185913.db2.gz SQRGSJVTLBRMSE-LLVKDONJSA-N 2 1 337.380 -1.367 20 0 EAADMP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806352 794186635 /nfs/dbraw/zinc/18/66/35/794186635.db2.gz SQRGSJVTLBRMSE-NSHDSACASA-N 2 1 337.380 -1.367 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219806362 794185980 /nfs/dbraw/zinc/18/59/80/794185980.db2.gz SYNSVTBEUDJSBT-GFCCVEGCSA-N 2 1 333.392 -1.126 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219806363 794186469 /nfs/dbraw/zinc/18/64/69/794186469.db2.gz SYNSVTBEUDJSBT-LBPRGKRZSA-N 2 1 333.392 -1.126 20 0 EAADMP O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806405 794185866 /nfs/dbraw/zinc/18/58/66/794185866.db2.gz VHYYMFMRDUOVIB-INIZCTEOSA-N 2 1 335.408 -1.143 20 0 EAADMP O=C(C[C@]1(O)CCC[NH2+]C1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806406 794186728 /nfs/dbraw/zinc/18/67/28/794186728.db2.gz VHYYMFMRDUOVIB-MRXNPFEDSA-N 2 1 335.408 -1.143 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001219806461 794186588 /nfs/dbraw/zinc/18/65/88/794186588.db2.gz XOSDFPLIJKQJJN-YWPYICTPSA-N 2 1 333.392 -1.270 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219806488 794185777 /nfs/dbraw/zinc/18/57/77/794185777.db2.gz YKPHEABXYHIFET-WCFLWFBJSA-N 2 1 332.408 -1.697 20 0 EAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807507 794186496 /nfs/dbraw/zinc/18/64/96/794186496.db2.gz HFRJQOZDJSZQGY-LBPRGKRZSA-N 2 1 348.407 -1.779 20 0 EAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219807687 794186402 /nfs/dbraw/zinc/18/64/02/794186402.db2.gz LHTKFCQDWOBOIN-NSHDSACASA-N 3 1 340.453 -1.628 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001219808100 794186121 /nfs/dbraw/zinc/18/61/21/794186121.db2.gz UBTUTVLCMKKJFS-AXAPSJFSSA-N 2 1 347.419 -1.023 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001219808101 794186280 /nfs/dbraw/zinc/18/62/80/794186280.db2.gz UBTUTVLCMKKJFS-GHJWDPDVSA-N 2 1 347.419 -1.023 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001219808102 794185859 /nfs/dbraw/zinc/18/58/59/794185859.db2.gz UBTUTVLCMKKJFS-KFNAQCHYSA-N 2 1 347.419 -1.023 20 0 EAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001219808103 794185853 /nfs/dbraw/zinc/18/58/53/794185853.db2.gz UBTUTVLCMKKJFS-NORZTCDRSA-N 2 1 347.419 -1.023 20 0 EAADMP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808161 794186610 /nfs/dbraw/zinc/18/66/10/794186610.db2.gz VYUDOXMVTGHQIN-CHWSQXEVSA-N 2 1 349.391 -1.496 20 0 EAADMP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808162 794185988 /nfs/dbraw/zinc/18/59/88/794185988.db2.gz VYUDOXMVTGHQIN-OLZOCXBDSA-N 2 1 349.391 -1.496 20 0 EAADMP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808163 794186292 /nfs/dbraw/zinc/18/62/92/794186292.db2.gz VYUDOXMVTGHQIN-QWHCGFSZSA-N 2 1 349.391 -1.496 20 0 EAADMP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808164 794186365 /nfs/dbraw/zinc/18/63/65/794186365.db2.gz VYUDOXMVTGHQIN-STQMWFEESA-N 2 1 349.391 -1.496 20 0 EAADMP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219809465 794185879 /nfs/dbraw/zinc/18/58/79/794185879.db2.gz LESQJBSIOGXLJJ-JTQLQIEISA-N 2 1 340.405 -1.287 20 0 EAADMP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219809466 794185565 /nfs/dbraw/zinc/18/55/65/794185565.db2.gz LESQJBSIOGXLJJ-SNVBAGLBSA-N 2 1 340.405 -1.287 20 0 EAADMP CN1C[C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)OC2(CC[NH2+]CC2)C1 ZINC001219813133 794187669 /nfs/dbraw/zinc/18/76/69/794187669.db2.gz ORHBTUDTHHDTEP-DZKIICNBSA-N 2 1 338.452 -1.209 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)OC2(CC[NH2+]CC2)C1 ZINC001219813133 794187662 /nfs/dbraw/zinc/18/76/62/794187662.db2.gz ORHBTUDTHHDTEP-DZKIICNBSA-N 3 1 338.452 -1.209 20 0 EAADMP CN1C[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)OC2(CC[NH2+]CC2)C1 ZINC001219813134 794187213 /nfs/dbraw/zinc/18/72/13/794187213.db2.gz ORHBTUDTHHDTEP-LZWOXQAQSA-N 2 1 338.452 -1.209 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)OC2(CC[NH2+]CC2)C1 ZINC001219813134 794187212 /nfs/dbraw/zinc/18/72/12/794187212.db2.gz ORHBTUDTHHDTEP-LZWOXQAQSA-N 3 1 338.452 -1.209 20 0 EAADMP CN1C[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)OC2(CC[NH2+]CC2)C1 ZINC001219831428 794190911 /nfs/dbraw/zinc/19/09/11/794190911.db2.gz KIHCTEJYKKARIU-APIJFGDWSA-N 2 1 338.452 -1.068 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)OC2(CC[NH2+]CC2)C1 ZINC001219831428 794190910 /nfs/dbraw/zinc/19/09/10/794190910.db2.gz KIHCTEJYKKARIU-APIJFGDWSA-N 3 1 338.452 -1.068 20 0 EAADMP CN1C[C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)OC2(CC[NH2+]CC2)C1 ZINC001219831429 794191377 /nfs/dbraw/zinc/19/13/77/794191377.db2.gz KIHCTEJYKKARIU-KBXIAJHMSA-N 2 1 338.452 -1.068 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)OC2(CC[NH2+]CC2)C1 ZINC001219831429 794191372 /nfs/dbraw/zinc/19/13/72/794191372.db2.gz KIHCTEJYKKARIU-KBXIAJHMSA-N 3 1 338.452 -1.068 20 0 EAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833290 794192585 /nfs/dbraw/zinc/19/25/85/794192585.db2.gz BGFOJSXYMJVCBD-BBRMVZONSA-N 3 1 326.441 -1.161 20 0 EAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833291 794192241 /nfs/dbraw/zinc/19/22/41/794192241.db2.gz BGFOJSXYMJVCBD-CJNGLKHVSA-N 3 1 326.441 -1.161 20 0 EAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833292 794192239 /nfs/dbraw/zinc/19/22/39/794192239.db2.gz BGFOJSXYMJVCBD-CZUORRHYSA-N 3 1 326.441 -1.161 20 0 EAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833293 794192281 /nfs/dbraw/zinc/19/22/81/794192281.db2.gz BGFOJSXYMJVCBD-XJKSGUPXSA-N 3 1 326.441 -1.161 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834963 794192427 /nfs/dbraw/zinc/19/24/27/794192427.db2.gz VWMWWLCYEZWAKG-HUBLWGQQSA-N 2 1 329.397 -1.222 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834964 794192143 /nfs/dbraw/zinc/19/21/43/794192143.db2.gz VWMWWLCYEZWAKG-SLEUVZQESA-N 2 1 329.397 -1.222 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834965 794191815 /nfs/dbraw/zinc/19/18/15/794191815.db2.gz VWMWWLCYEZWAKG-TYNCELHUSA-N 2 1 329.397 -1.222 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219835066 794192541 /nfs/dbraw/zinc/19/25/41/794192541.db2.gz VWMWWLCYEZWAKG-XUJVJEKNSA-N 2 1 329.397 -1.222 20 0 EAADMP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1nnn2c1C[NH2+]CC2 ZINC001219845866 794194820 /nfs/dbraw/zinc/19/48/20/794194820.db2.gz ZMXVQRTXGCTBJS-ABAIWWIYSA-N 2 1 336.396 -1.494 20 0 EAADMP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1nnn2c1C[NH2+]CC2 ZINC001219845867 794196027 /nfs/dbraw/zinc/19/60/27/794196027.db2.gz ZMXVQRTXGCTBJS-IAQYHMDHSA-N 2 1 336.396 -1.494 20 0 EAADMP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1nnn2c1C[NH2+]CC2 ZINC001219845868 794196152 /nfs/dbraw/zinc/19/61/52/794196152.db2.gz ZMXVQRTXGCTBJS-NHYWBVRUSA-N 2 1 336.396 -1.494 20 0 EAADMP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1nnn2c1C[NH2+]CC2 ZINC001219845869 794195788 /nfs/dbraw/zinc/19/57/88/794195788.db2.gz ZMXVQRTXGCTBJS-XHDPSFHLSA-N 2 1 336.396 -1.494 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852381 794197815 /nfs/dbraw/zinc/19/78/15/794197815.db2.gz QQLBDKMLVAOGGL-CYUUQNCZSA-N 2 1 325.457 -1.523 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852385 794197953 /nfs/dbraw/zinc/19/79/53/794197953.db2.gz QQLBDKMLVAOGGL-SPWCGHHHSA-N 2 1 325.457 -1.523 20 0 EAADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001219874098 794202800 /nfs/dbraw/zinc/20/28/00/794202800.db2.gz ZBLTXXNHTUXGBI-KGLIPLIRSA-N 2 1 329.441 -1.112 20 0 EAADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O)[NH+](C)C ZINC001219874992 794202015 /nfs/dbraw/zinc/20/20/15/794202015.db2.gz MPNRFMJXFSLPDA-KFWWJZLASA-N 2 1 344.456 -1.359 20 0 EAADMP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877360 794203156 /nfs/dbraw/zinc/20/31/56/794203156.db2.gz BTWPXXZZBYNVDU-MCIONIFRSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877361 794202564 /nfs/dbraw/zinc/20/25/64/794202564.db2.gz BTWPXXZZBYNVDU-MJBXVCDLSA-N 2 1 329.441 -1.113 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1O ZINC001219902986 794210327 /nfs/dbraw/zinc/21/03/27/794210327.db2.gz OXXDCFOPFMUAEB-OLZOCXBDSA-N 2 1 341.456 -1.097 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903300 794210429 /nfs/dbraw/zinc/21/04/29/794210429.db2.gz XRANHRPCKMVZMF-UTUOFQBUSA-N 2 1 340.424 -1.317 20 0 EAADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@@H]1O ZINC001219903301 794209663 /nfs/dbraw/zinc/20/96/63/794209663.db2.gz XRANHRPCKMVZMF-WOPDTQHZSA-N 2 1 340.424 -1.317 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@H]1CCc2cncn2C1 ZINC001219908319 794209261 /nfs/dbraw/zinc/20/92/61/794209261.db2.gz AKQFNOHCBZAHKT-CFVMTHIKSA-N 2 1 338.408 -1.384 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@H]1CCc2cncn2C1 ZINC001219908319 794209254 /nfs/dbraw/zinc/20/92/54/794209254.db2.gz AKQFNOHCBZAHKT-CFVMTHIKSA-N 2 1 338.408 -1.384 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCc2cncn2C1 ZINC001219908320 794210159 /nfs/dbraw/zinc/21/01/59/794210159.db2.gz AKQFNOHCBZAHKT-YUELXQCFSA-N 2 1 338.408 -1.384 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)[C@@H]1CCc2cncn2C1 ZINC001219908320 794210151 /nfs/dbraw/zinc/21/01/51/794210151.db2.gz AKQFNOHCBZAHKT-YUELXQCFSA-N 2 1 338.408 -1.384 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219941530 794217788 /nfs/dbraw/zinc/21/77/88/794217788.db2.gz CPUYIHHODALUQD-MCIONIFRSA-N 2 1 327.425 -1.217 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219941530 794217782 /nfs/dbraw/zinc/21/77/82/794217782.db2.gz CPUYIHHODALUQD-MCIONIFRSA-N 2 1 327.425 -1.217 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219941531 794217898 /nfs/dbraw/zinc/21/78/98/794217898.db2.gz CPUYIHHODALUQD-MJBXVCDLSA-N 2 1 327.425 -1.217 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219941531 794217897 /nfs/dbraw/zinc/21/78/97/794217897.db2.gz CPUYIHHODALUQD-MJBXVCDLSA-N 2 1 327.425 -1.217 20 0 EAADMP O=C(N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219944089 794217935 /nfs/dbraw/zinc/21/79/35/794217935.db2.gz OAZAVKNMQWDFGC-KGLIPLIRSA-N 2 1 327.425 -1.215 20 0 EAADMP O=C(N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001219944089 794217933 /nfs/dbraw/zinc/21/79/33/794217933.db2.gz OAZAVKNMQWDFGC-KGLIPLIRSA-N 2 1 327.425 -1.215 20 0 EAADMP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CN1 ZINC001219965633 794223036 /nfs/dbraw/zinc/22/30/36/794223036.db2.gz VIQVIUMIXSHIPL-AGIUHOORSA-N 2 1 340.424 -1.541 20 0 EAADMP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CN1 ZINC001219965634 794223632 /nfs/dbraw/zinc/22/36/32/794223632.db2.gz VIQVIUMIXSHIPL-FRRDWIJNSA-N 2 1 340.424 -1.541 20 0 EAADMP COC(=O)C1(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001220001847 794228419 /nfs/dbraw/zinc/22/84/19/794228419.db2.gz YNFCQVLBRRVBCL-GFCCVEGCSA-N 2 1 327.429 -1.852 20 0 EAADMP COC(=O)C1(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC[NH2+]CC1 ZINC001220001848 794229038 /nfs/dbraw/zinc/22/90/38/794229038.db2.gz YNFCQVLBRRVBCL-LBPRGKRZSA-N 2 1 327.429 -1.852 20 0 EAADMP Cc1[nH+]c(N)ccc1CNC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001220071574 794239316 /nfs/dbraw/zinc/23/93/16/794239316.db2.gz JIPVZGSVMNZPNY-GZMMTYOYSA-N 2 1 336.396 -1.314 20 0 EAADMP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001220103261 794243601 /nfs/dbraw/zinc/24/36/01/794243601.db2.gz MQINWUKSRKEULN-JTQLQIEISA-N 3 1 330.433 -1.294 20 0 EAADMP [NH3+]CCC[NH2+]CC(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104721 794243868 /nfs/dbraw/zinc/24/38/68/794243868.db2.gz LAIPTZPMMVKLKP-UHFFFAOYSA-N 2 1 336.392 -1.099 20 0 EAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220145942 794253358 /nfs/dbraw/zinc/25/33/58/794253358.db2.gz XEJGNEHOLPHNJP-GFCCVEGCSA-N 2 1 330.454 -1.570 20 0 EAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220145943 794253664 /nfs/dbraw/zinc/25/36/64/794253664.db2.gz XEJGNEHOLPHNJP-LBPRGKRZSA-N 2 1 330.454 -1.570 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001220158564 794255675 /nfs/dbraw/zinc/25/56/75/794255675.db2.gz AZOSWFRQKITBCO-AVGNSLFASA-N 2 1 339.440 -1.349 20 0 EAADMP C[N@H+]1CCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001220159710 794254776 /nfs/dbraw/zinc/25/47/76/794254776.db2.gz RFJUEZJFESTYNA-JTQLQIEISA-N 2 1 342.400 -3.496 20 0 EAADMP CC(C)[NH+]1CC(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001220159968 794254544 /nfs/dbraw/zinc/25/45/44/794254544.db2.gz SWOCRLTZAOQXAD-AAEUAGOBSA-N 2 1 339.440 -1.350 20 0 EAADMP CC(C)[NH+]1CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001220160352 794255527 /nfs/dbraw/zinc/25/55/27/794255527.db2.gz YGCOIQPYRNJRPJ-UHFFFAOYSA-N 2 1 342.400 -3.498 20 0 EAADMP CS(=O)(=O)N(CC[NH3+])CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197915 794258257 /nfs/dbraw/zinc/25/82/57/794258257.db2.gz WBOKPRJFAFSPDH-UHFFFAOYSA-N 2 1 334.442 -1.812 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC[NH+]1C ZINC001220215097 794261301 /nfs/dbraw/zinc/26/13/01/794261301.db2.gz WECSNWPVBVWFHJ-XQLPTFJDSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC[NH+]1C ZINC001220215097 794261297 /nfs/dbraw/zinc/26/12/97/794261297.db2.gz WECSNWPVBVWFHJ-XQLPTFJDSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)CC[N@H+]1C ZINC001220215097 794261294 /nfs/dbraw/zinc/26/12/94/794261294.db2.gz WECSNWPVBVWFHJ-XQLPTFJDSA-N 2 1 329.441 -1.113 20 0 EAADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2O)CC[N@@H+]1C ZINC001220215097 794261292 /nfs/dbraw/zinc/26/12/92/794261292.db2.gz WECSNWPVBVWFHJ-XQLPTFJDSA-N 2 1 329.441 -1.113 20 0 EAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220530 794261148 /nfs/dbraw/zinc/26/11/48/794261148.db2.gz UCIGAWIEQZQCOG-AHDPXTMNSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220530 794261140 /nfs/dbraw/zinc/26/11/40/794261140.db2.gz UCIGAWIEQZQCOG-AHDPXTMNSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220530 794261135 /nfs/dbraw/zinc/26/11/35/794261135.db2.gz UCIGAWIEQZQCOG-AHDPXTMNSA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220531 794261760 /nfs/dbraw/zinc/26/17/60/794261760.db2.gz UCIGAWIEQZQCOG-LXFSFDBISA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@@H](O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220531 794261754 /nfs/dbraw/zinc/26/17/54/794261754.db2.gz UCIGAWIEQZQCOG-LXFSFDBISA-N 2 1 329.441 -1.115 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220220531 794261747 /nfs/dbraw/zinc/26/17/47/794261747.db2.gz UCIGAWIEQZQCOG-LXFSFDBISA-N 2 1 329.441 -1.115 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001220230889 794264937 /nfs/dbraw/zinc/26/49/37/794264937.db2.gz SGOSKNPBQPCVGO-OLZOCXBDSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2O)CC1 ZINC001220230889 794264930 /nfs/dbraw/zinc/26/49/30/794264930.db2.gz SGOSKNPBQPCVGO-OLZOCXBDSA-N 2 1 339.440 -1.485 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220233637 794265367 /nfs/dbraw/zinc/26/53/67/794265367.db2.gz DKPNSJUIYGVUMN-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220233638 794264808 /nfs/dbraw/zinc/26/48/08/794264808.db2.gz DKPNSJUIYGVUMN-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220234199 794265523 /nfs/dbraw/zinc/26/55/23/794265523.db2.gz YMFDHVRGBJRMGV-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220234199 794265519 /nfs/dbraw/zinc/26/55/19/794265519.db2.gz YMFDHVRGBJRMGV-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237436 794264702 /nfs/dbraw/zinc/26/47/02/794264702.db2.gz WHSFMCHAUUQBFB-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220237456 794264480 /nfs/dbraw/zinc/26/44/80/794264480.db2.gz XFWKKNGZLVFULL-OLZOCXBDSA-N 2 1 327.429 -1.485 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220237456 794264476 /nfs/dbraw/zinc/26/44/76/794264476.db2.gz XFWKKNGZLVFULL-OLZOCXBDSA-N 2 1 327.429 -1.485 20 0 EAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238414 794265608 /nfs/dbraw/zinc/26/56/08/794265608.db2.gz VLCHCLVBGQSUTN-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238415 794266170 /nfs/dbraw/zinc/26/61/70/794266170.db2.gz VLCHCLVBGQSUTN-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220238688 794266718 /nfs/dbraw/zinc/26/67/18/794266718.db2.gz ZYMRJRWZFHIGFX-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220238688 794266712 /nfs/dbraw/zinc/26/67/12/794266712.db2.gz ZYMRJRWZFHIGFX-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220273094 794274040 /nfs/dbraw/zinc/27/40/40/794274040.db2.gz BUDREOARMYSKOQ-NEPJUHHUSA-N 2 1 326.397 -1.752 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220273094 794274034 /nfs/dbraw/zinc/27/40/34/794274034.db2.gz BUDREOARMYSKOQ-NEPJUHHUSA-N 2 1 326.397 -1.752 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220273272 794273683 /nfs/dbraw/zinc/27/36/83/794273683.db2.gz GAKOGKKTNBRTIU-MCIONIFRSA-N 2 1 325.413 -1.643 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220273273 794273390 /nfs/dbraw/zinc/27/33/90/794273390.db2.gz GAKOGKKTNBRTIU-MJBXVCDLSA-N 2 1 325.413 -1.643 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220275137 794272999 /nfs/dbraw/zinc/27/29/99/794272999.db2.gz PZHBLPSJXSLSCU-MJBXVCDLSA-N 2 1 342.440 -1.917 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC001220275137 794272993 /nfs/dbraw/zinc/27/29/93/794272993.db2.gz PZHBLPSJXSLSCU-MJBXVCDLSA-N 2 1 342.440 -1.917 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220276572 794275330 /nfs/dbraw/zinc/27/53/30/794275330.db2.gz FOWVNWNSDMOLRN-MNOVXSKESA-N 2 1 327.385 -2.349 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220276572 794275324 /nfs/dbraw/zinc/27/53/24/794275324.db2.gz FOWVNWNSDMOLRN-MNOVXSKESA-N 2 1 327.385 -2.349 20 0 EAADMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220276576 794274612 /nfs/dbraw/zinc/27/46/12/794274612.db2.gz FTLXHVJWOAOLNG-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276666 794275763 /nfs/dbraw/zinc/27/57/63/794275763.db2.gz HAYVIYODEKNHFC-KGLIPLIRSA-N 2 1 330.429 -1.748 20 0 EAADMP CC(C)NC(=O)NCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276908 794274587 /nfs/dbraw/zinc/27/45/87/794274587.db2.gz MWWGHLIOHJQNOE-OLZOCXBDSA-N 2 1 329.445 -1.193 20 0 EAADMP CC(C)NC(=O)NCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276908 794274581 /nfs/dbraw/zinc/27/45/81/794274581.db2.gz MWWGHLIOHJQNOE-OLZOCXBDSA-N 2 1 329.445 -1.193 20 0 EAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277380 794275185 /nfs/dbraw/zinc/27/51/85/794275185.db2.gz YOBXUPDSWIXLOF-MCIONIFRSA-N 2 1 333.429 -1.877 20 0 EAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220277381 794274448 /nfs/dbraw/zinc/27/44/48/794274448.db2.gz YOBXUPDSWIXLOF-MJBXVCDLSA-N 2 1 333.429 -1.877 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220306088 794277145 /nfs/dbraw/zinc/27/71/45/794277145.db2.gz BODRNBYCTBUVFF-RYUDHWBXSA-N 2 1 342.444 -2.553 20 0 EAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001220306469 794276900 /nfs/dbraw/zinc/27/69/00/794276900.db2.gz LGZMVQBVYFYILK-HNNXBMFYSA-N 2 1 326.489 -1.510 20 0 EAADMP C[N@@H+]1CCCN(CCNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001220306469 794276892 /nfs/dbraw/zinc/27/68/92/794276892.db2.gz LGZMVQBVYFYILK-HNNXBMFYSA-N 2 1 326.489 -1.510 20 0 EAADMP C[N@H+]1CCCN(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220306469 794276885 /nfs/dbraw/zinc/27/68/85/794276885.db2.gz LGZMVQBVYFYILK-HNNXBMFYSA-N 3 1 326.489 -1.510 20 0 EAADMP C[N@H+]1CCCN(CCNC(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001220306470 794276538 /nfs/dbraw/zinc/27/65/38/794276538.db2.gz LGZMVQBVYFYILK-OAHLLOKOSA-N 2 1 326.489 -1.510 20 0 EAADMP C[N@@H+]1CCCN(CCNC(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001220306470 794276533 /nfs/dbraw/zinc/27/65/33/794276533.db2.gz LGZMVQBVYFYILK-OAHLLOKOSA-N 2 1 326.489 -1.510 20 0 EAADMP C[N@H+]1CCCN(CCNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220306470 794276529 /nfs/dbraw/zinc/27/65/29/794276529.db2.gz LGZMVQBVYFYILK-OAHLLOKOSA-N 3 1 326.489 -1.510 20 0 EAADMP C[N@H+]1CCCN(CCNC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001220307055 794276449 /nfs/dbraw/zinc/27/64/49/794276449.db2.gz RIOOBRDCJUFIRS-UHFFFAOYSA-N 2 1 335.474 -2.040 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312661 794276390 /nfs/dbraw/zinc/27/63/90/794276390.db2.gz ASSDOMRVJCSXID-CYBMUJFWSA-N 2 1 335.456 -1.257 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312662 794276911 /nfs/dbraw/zinc/27/69/11/794276911.db2.gz ASSDOMRVJCSXID-ZDUSSCGKSA-N 2 1 335.456 -1.257 20 0 EAADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O)[NH+](C)C ZINC001220380009 794286629 /nfs/dbraw/zinc/28/66/29/794286629.db2.gz MPNRFMJXFSLPDA-ILXRZTDVSA-N 2 1 344.456 -1.359 20 0 EAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCCN1 ZINC001220428906 794295869 /nfs/dbraw/zinc/29/58/69/794295869.db2.gz HHIVVZPKPFFHAV-IHRRRGAJSA-N 2 1 341.456 -1.462 20 0 EAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCCN1 ZINC001220428907 794295529 /nfs/dbraw/zinc/29/55/29/794295529.db2.gz HHIVVZPKPFFHAV-RDBSUJKOSA-N 2 1 341.456 -1.462 20 0 EAADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220478509 794302669 /nfs/dbraw/zinc/30/26/69/794302669.db2.gz APWDFCVJPBHTJX-CABCVRRESA-N 2 1 329.441 -1.112 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478854 794301490 /nfs/dbraw/zinc/30/14/90/794301490.db2.gz NKCBAAJKESSRFB-KFWWJZLASA-N 2 1 329.441 -1.113 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478855 794302289 /nfs/dbraw/zinc/30/22/89/794302289.db2.gz NKCBAAJKESSRFB-ZNMIVQPWSA-N 2 1 329.441 -1.113 20 0 EAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)O1 ZINC001220481313 794302232 /nfs/dbraw/zinc/30/22/32/794302232.db2.gz CZQYTIZXRGXPIR-DSJMHWKBSA-N 2 1 343.472 -1.422 20 0 EAADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)O1 ZINC001220481314 794302713 /nfs/dbraw/zinc/30/27/13/794302713.db2.gz CZQYTIZXRGXPIR-IXYNUQLISA-N 2 1 343.472 -1.422 20 0 EAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)CN2CCC([NH3+])CC2)O1 ZINC001220481315 794302372 /nfs/dbraw/zinc/30/23/72/794302372.db2.gz CZQYTIZXRGXPIR-KQTLUZQSSA-N 2 1 343.472 -1.422 20 0 EAADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)CN2CCC([NH3+])CC2)O1 ZINC001220481316 794301602 /nfs/dbraw/zinc/30/16/02/794301602.db2.gz CZQYTIZXRGXPIR-NHIYQJMISA-N 2 1 343.472 -1.422 20 0 EAADMP CN1C[C@@H](C(=O)NCCOCCOCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220519580 794309449 /nfs/dbraw/zinc/30/94/49/794309449.db2.gz SRAHSVYGPXMCNH-AWEZNQCLSA-N 2 1 344.456 -1.453 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NCCOCCOCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220519580 794309447 /nfs/dbraw/zinc/30/94/47/794309447.db2.gz SRAHSVYGPXMCNH-AWEZNQCLSA-N 2 1 344.456 -1.453 20 0 EAADMP CN1C[C@H](C(=O)NCCOCCOCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220519581 794308967 /nfs/dbraw/zinc/30/89/67/794308967.db2.gz SRAHSVYGPXMCNH-CQSZACIVSA-N 2 1 344.456 -1.453 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NCCOCCOCC[NH3+])OC2(CC[NH2+]CC2)C1 ZINC001220519581 794308965 /nfs/dbraw/zinc/30/89/65/794308965.db2.gz SRAHSVYGPXMCNH-CQSZACIVSA-N 2 1 344.456 -1.453 20 0 EAADMP CCOC(=O)C1=C(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001220524152 794311094 /nfs/dbraw/zinc/31/10/94/794311094.db2.gz YYOBQPMEFPIWMY-CYBMUJFWSA-N 2 1 339.440 -1.337 20 0 EAADMP CCOC(=O)C1=C(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC[NH2+]C1 ZINC001220524158 794310520 /nfs/dbraw/zinc/31/05/20/794310520.db2.gz YYOBQPMEFPIWMY-ZDUSSCGKSA-N 2 1 339.440 -1.337 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220553427 794316284 /nfs/dbraw/zinc/31/62/84/794316284.db2.gz JJJJGBINHZWBBD-KFWWJZLASA-N 2 1 327.425 -1.094 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001220553427 794316278 /nfs/dbraw/zinc/31/62/78/794316278.db2.gz JJJJGBINHZWBBD-KFWWJZLASA-N 2 1 327.425 -1.094 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220553428 794316307 /nfs/dbraw/zinc/31/63/07/794316307.db2.gz JJJJGBINHZWBBD-ZNMIVQPWSA-N 2 1 327.425 -1.094 20 0 EAADMP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001220553428 794316299 /nfs/dbraw/zinc/31/62/99/794316299.db2.gz JJJJGBINHZWBBD-ZNMIVQPWSA-N 2 1 327.425 -1.094 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553747 794316937 /nfs/dbraw/zinc/31/69/37/794316937.db2.gz RQPIPHCCNVJQCU-MCIONIFRSA-N 2 1 331.413 -2.123 20 0 EAADMP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553747 794316928 /nfs/dbraw/zinc/31/69/28/794316928.db2.gz RQPIPHCCNVJQCU-MCIONIFRSA-N 2 1 331.413 -2.123 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553750 794317380 /nfs/dbraw/zinc/31/73/80/794317380.db2.gz RQPIPHCCNVJQCU-MJBXVCDLSA-N 2 1 331.413 -2.123 20 0 EAADMP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553750 794317375 /nfs/dbraw/zinc/31/73/75/794317375.db2.gz RQPIPHCCNVJQCU-MJBXVCDLSA-N 2 1 331.413 -2.123 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220574454 794323350 /nfs/dbraw/zinc/32/33/50/794323350.db2.gz BRDANOVYJQCQGJ-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220574455 794322653 /nfs/dbraw/zinc/32/26/53/794322653.db2.gz BRDANOVYJQCQGJ-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220583353 794324799 /nfs/dbraw/zinc/32/47/99/794324799.db2.gz VTFGTLKCSNLZGT-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220583354 794324142 /nfs/dbraw/zinc/32/41/42/794324142.db2.gz VTHWJFZEFSNTAM-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220583356 794324474 /nfs/dbraw/zinc/32/44/74/794324474.db2.gz VTHWJFZEFSNTAM-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220637624 794333215 /nfs/dbraw/zinc/33/32/15/794333215.db2.gz JOKXVZULRFMKRT-CABCVRRESA-N 2 1 345.440 -1.733 20 0 EAADMP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001220637624 794333206 /nfs/dbraw/zinc/33/32/06/794333206.db2.gz JOKXVZULRFMKRT-CABCVRRESA-N 2 1 345.440 -1.733 20 0 EAADMP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642683 794332610 /nfs/dbraw/zinc/33/26/10/794332610.db2.gz ILJQDTCGMLUGIE-CFVMTHIKSA-N 2 1 345.440 -1.734 20 0 EAADMP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642684 794332558 /nfs/dbraw/zinc/33/25/58/794332558.db2.gz ILJQDTCGMLUGIE-YUELXQCFSA-N 2 1 345.440 -1.734 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681422 794339313 /nfs/dbraw/zinc/33/93/13/794339313.db2.gz HVRAKBVBNQCXGP-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681422 794339311 /nfs/dbraw/zinc/33/93/11/794339311.db2.gz HVRAKBVBNQCXGP-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681422 794339309 /nfs/dbraw/zinc/33/93/09/794339309.db2.gz HVRAKBVBNQCXGP-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681423 794338405 /nfs/dbraw/zinc/33/84/05/794338405.db2.gz HVRAKBVBNQCXGP-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681423 794338399 /nfs/dbraw/zinc/33/83/99/794338399.db2.gz HVRAKBVBNQCXGP-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220681423 794338391 /nfs/dbraw/zinc/33/83/91/794338391.db2.gz HVRAKBVBNQCXGP-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220681549 794338864 /nfs/dbraw/zinc/33/88/64/794338864.db2.gz KFGNPQIGVNEJGS-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220681549 794338863 /nfs/dbraw/zinc/33/88/63/794338863.db2.gz KFGNPQIGVNEJGS-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220681549 794338855 /nfs/dbraw/zinc/33/88/55/794338855.db2.gz KFGNPQIGVNEJGS-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@@H]1O ZINC001220681549 794338850 /nfs/dbraw/zinc/33/88/50/794338850.db2.gz KFGNPQIGVNEJGS-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220688294 794339678 /nfs/dbraw/zinc/33/96/78/794339678.db2.gz DVHLIZXBUPZVPD-OLZOCXBDSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220688294 794339668 /nfs/dbraw/zinc/33/96/68/794339668.db2.gz DVHLIZXBUPZVPD-OLZOCXBDSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001220688294 794339662 /nfs/dbraw/zinc/33/96/62/794339662.db2.gz DVHLIZXBUPZVPD-OLZOCXBDSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001220688294 794339656 /nfs/dbraw/zinc/33/96/56/794339656.db2.gz DVHLIZXBUPZVPD-OLZOCXBDSA-N 2 1 327.429 -1.485 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688629 794339727 /nfs/dbraw/zinc/33/97/27/794339727.db2.gz NFOLZHWRACGMOI-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688629 794339720 /nfs/dbraw/zinc/33/97/20/794339720.db2.gz NFOLZHWRACGMOI-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688629 794339714 /nfs/dbraw/zinc/33/97/14/794339714.db2.gz NFOLZHWRACGMOI-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001220688629 794339707 /nfs/dbraw/zinc/33/97/07/794339707.db2.gz NFOLZHWRACGMOI-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220688793 794339552 /nfs/dbraw/zinc/33/95/52/794339552.db2.gz QKOVLKUKOZHSAZ-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220688793 794339545 /nfs/dbraw/zinc/33/95/45/794339545.db2.gz QKOVLKUKOZHSAZ-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220688793 794339536 /nfs/dbraw/zinc/33/95/36/794339536.db2.gz QKOVLKUKOZHSAZ-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220688795 794339301 /nfs/dbraw/zinc/33/93/01/794339301.db2.gz QKOVLKUKOZHSAZ-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220688795 794339300 /nfs/dbraw/zinc/33/93/00/794339300.db2.gz QKOVLKUKOZHSAZ-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220688795 794339298 /nfs/dbraw/zinc/33/92/98/794339298.db2.gz QKOVLKUKOZHSAZ-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220688994 794339413 /nfs/dbraw/zinc/33/94/13/794339413.db2.gz ZABQSGAOJDVBHF-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220688994 794339409 /nfs/dbraw/zinc/33/94/09/794339409.db2.gz ZABQSGAOJDVBHF-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220688994 794339408 /nfs/dbraw/zinc/33/94/08/794339408.db2.gz ZABQSGAOJDVBHF-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716608 794344631 /nfs/dbraw/zinc/34/46/31/794344631.db2.gz LYQPXDKEXICIQR-NWBUJAPZSA-N 2 1 339.440 -1.175 20 0 EAADMP O=C(C[NH2+]C1CC[NH2+]CC1)NCCCN1CCS(=O)(=O)CC1 ZINC001220756878 794353270 /nfs/dbraw/zinc/35/32/70/794353270.db2.gz MUACERMZFRBAKX-UHFFFAOYSA-N 2 1 332.470 -1.435 20 0 EAADMP Cn1cc(CC[N@@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220764230 794354464 /nfs/dbraw/zinc/35/44/64/794354464.db2.gz DGSVNAOUBQERNZ-CABCVRRESA-N 2 1 339.440 -1.298 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O ZINC001220764336 794355171 /nfs/dbraw/zinc/35/51/71/794355171.db2.gz HRMDOFYYTXMXJY-OLZOCXBDSA-N 2 1 326.401 -1.982 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001220764336 794355164 /nfs/dbraw/zinc/35/51/64/794355164.db2.gz HRMDOFYYTXMXJY-OLZOCXBDSA-N 2 1 326.401 -1.982 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220764605 794354498 /nfs/dbraw/zinc/35/44/98/794354498.db2.gz QAOMVJOEIYNPRY-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001220764605 794354496 /nfs/dbraw/zinc/35/44/96/794354496.db2.gz QAOMVJOEIYNPRY-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001220764815 794354957 /nfs/dbraw/zinc/35/49/57/794354957.db2.gz XNFINCLMJDWICC-KGLIPLIRSA-N 2 1 325.413 -1.377 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001220764815 794354950 /nfs/dbraw/zinc/35/49/50/794354950.db2.gz XNFINCLMJDWICC-KGLIPLIRSA-N 2 1 325.413 -1.377 20 0 EAADMP Cn1nccc1CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768273 794354584 /nfs/dbraw/zinc/35/45/84/794354584.db2.gz DMXHNCJKPHHNMU-CABCVRRESA-N 2 1 339.440 -1.298 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220768391 794355946 /nfs/dbraw/zinc/35/59/46/794355946.db2.gz JOBQKIKMYHIRGN-OLZOCXBDSA-N 2 1 343.428 -2.249 20 0 EAADMP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220768391 794355941 /nfs/dbraw/zinc/35/59/41/794355941.db2.gz JOBQKIKMYHIRGN-OLZOCXBDSA-N 2 1 343.428 -2.249 20 0 EAADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768528 794357291 /nfs/dbraw/zinc/35/72/91/794357291.db2.gz QDKCJPMQQJOLOT-KGLIPLIRSA-N 2 1 333.429 -1.611 20 0 EAADMP COCCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768528 794357284 /nfs/dbraw/zinc/35/72/84/794357284.db2.gz QDKCJPMQQJOLOT-KGLIPLIRSA-N 2 1 333.429 -1.611 20 0 EAADMP COCCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771427 794356084 /nfs/dbraw/zinc/35/60/84/794356084.db2.gz SHZCJQOEYYXJMK-KGLIPLIRSA-N 2 1 327.425 -1.094 20 0 EAADMP COCCOCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771427 794356075 /nfs/dbraw/zinc/35/60/75/794356075.db2.gz SHZCJQOEYYXJMK-KGLIPLIRSA-N 2 1 327.425 -1.094 20 0 EAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220806437 794361897 /nfs/dbraw/zinc/36/18/97/794361897.db2.gz CNWCSAIPGXNQKI-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220806437 794361887 /nfs/dbraw/zinc/36/18/87/794361887.db2.gz CNWCSAIPGXNQKI-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821627 794363529 /nfs/dbraw/zinc/36/35/29/794363529.db2.gz CIQUFHYEJVSSSQ-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821627 794363519 /nfs/dbraw/zinc/36/35/19/794363519.db2.gz CIQUFHYEJVSSSQ-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821627 794363510 /nfs/dbraw/zinc/36/35/10/794363510.db2.gz CIQUFHYEJVSSSQ-KFWWJZLASA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821628 794364115 /nfs/dbraw/zinc/36/41/15/794364115.db2.gz CIQUFHYEJVSSSQ-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821628 794364107 /nfs/dbraw/zinc/36/41/07/794364107.db2.gz CIQUFHYEJVSSSQ-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001220821628 794364098 /nfs/dbraw/zinc/36/40/98/794364098.db2.gz CIQUFHYEJVSSSQ-ZNMIVQPWSA-N 2 1 339.440 -1.253 20 0 EAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220826156 794365304 /nfs/dbraw/zinc/36/53/04/794365304.db2.gz PHJIOVOZROENCB-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@H]1O ZINC001220826156 794365299 /nfs/dbraw/zinc/36/52/99/794365299.db2.gz PHJIOVOZROENCB-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001220826156 794365291 /nfs/dbraw/zinc/36/52/91/794365291.db2.gz PHJIOVOZROENCB-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@@H]1O ZINC001220826156 794365282 /nfs/dbraw/zinc/36/52/82/794365282.db2.gz PHJIOVOZROENCB-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220828663 794366784 /nfs/dbraw/zinc/36/67/84/794366784.db2.gz CXRPAMIZPUXMCW-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220828663 794366774 /nfs/dbraw/zinc/36/67/74/794366774.db2.gz CXRPAMIZPUXMCW-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@@H]1O ZINC001220828663 794366764 /nfs/dbraw/zinc/36/67/64/794366764.db2.gz CXRPAMIZPUXMCW-CABCVRRESA-N 2 1 344.456 -1.358 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220829205 794367587 /nfs/dbraw/zinc/36/75/87/794367587.db2.gz NNJMDPVNAIOLGP-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220829205 794367576 /nfs/dbraw/zinc/36/75/76/794367576.db2.gz NNJMDPVNAIOLGP-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@@H]1O ZINC001220829205 794367568 /nfs/dbraw/zinc/36/75/68/794367568.db2.gz NNJMDPVNAIOLGP-KFWWJZLASA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220829206 794367315 /nfs/dbraw/zinc/36/73/15/794367315.db2.gz NNJMDPVNAIOLGP-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220829206 794367305 /nfs/dbraw/zinc/36/73/05/794367305.db2.gz NNJMDPVNAIOLGP-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@@H]1O ZINC001220829206 794367300 /nfs/dbraw/zinc/36/73/00/794367300.db2.gz NNJMDPVNAIOLGP-ZNMIVQPWSA-N 2 1 347.456 -1.487 20 0 EAADMP CCOC(=O)C1=C(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220829822 794365723 /nfs/dbraw/zinc/36/57/23/794365723.db2.gz AQQKOGKFCBZTHC-GFCCVEGCSA-N 2 1 325.413 -1.727 20 0 EAADMP CCOC(=O)C1=C(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)C[NH2+]C1 ZINC001220829823 794366096 /nfs/dbraw/zinc/36/60/96/794366096.db2.gz AQQKOGKFCBZTHC-LBPRGKRZSA-N 2 1 325.413 -1.727 20 0 EAADMP CCOC(=O)C1(NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CNC1 ZINC001220850904 794368150 /nfs/dbraw/zinc/36/81/50/794368150.db2.gz AENLLGRCDDZAOR-GFCCVEGCSA-N 2 1 340.424 -1.540 20 0 EAADMP CCOC(=O)C1(NC(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)CNC1 ZINC001220850904 794368142 /nfs/dbraw/zinc/36/81/42/794368142.db2.gz AENLLGRCDDZAOR-GFCCVEGCSA-N 2 1 340.424 -1.540 20 0 EAADMP CCOC(=O)C1(NC(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220850904 794368137 /nfs/dbraw/zinc/36/81/37/794368137.db2.gz AENLLGRCDDZAOR-GFCCVEGCSA-N 3 1 340.424 -1.540 20 0 EAADMP CCOC(=O)C1(NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)CNC1 ZINC001220850905 794368199 /nfs/dbraw/zinc/36/81/99/794368199.db2.gz AENLLGRCDDZAOR-LBPRGKRZSA-N 2 1 340.424 -1.540 20 0 EAADMP CCOC(=O)C1(NC(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)CNC1 ZINC001220850905 794368195 /nfs/dbraw/zinc/36/81/95/794368195.db2.gz AENLLGRCDDZAOR-LBPRGKRZSA-N 2 1 340.424 -1.540 20 0 EAADMP CCOC(=O)C1(NC(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001220850905 794368187 /nfs/dbraw/zinc/36/81/87/794368187.db2.gz AENLLGRCDDZAOR-LBPRGKRZSA-N 3 1 340.424 -1.540 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220872177 794371858 /nfs/dbraw/zinc/37/18/58/794371858.db2.gz MZUZPGYWMCYCLG-JTQLQIEISA-N 2 1 330.410 -2.689 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220872178 794372877 /nfs/dbraw/zinc/37/28/77/794372877.db2.gz MZUZPGYWMCYCLG-SNVBAGLBSA-N 2 1 330.410 -2.689 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220872291 794372207 /nfs/dbraw/zinc/37/22/07/794372207.db2.gz SDIRFHAFZOVEQH-GFCCVEGCSA-N 2 1 347.423 -1.923 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220872292 794373190 /nfs/dbraw/zinc/37/31/90/794373190.db2.gz SDIRFHAFZOVEQH-LBPRGKRZSA-N 2 1 347.423 -1.923 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220872348 794373578 /nfs/dbraw/zinc/37/35/78/794373578.db2.gz VIVQZUYRGUVINP-LLVKDONJSA-N 2 1 348.411 -2.528 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220872349 794373067 /nfs/dbraw/zinc/37/30/67/794373067.db2.gz VIVQZUYRGUVINP-NSHDSACASA-N 2 1 348.411 -2.528 20 0 EAADMP O=C(NCCN1CCNCC1=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220872350 794372127 /nfs/dbraw/zinc/37/21/27/794372127.db2.gz VLJWRYXLEJOZLR-AWEZNQCLSA-N 3 1 337.468 -1.002 20 0 EAADMP O=C(NCCN1CCNCC1=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220872351 794372831 /nfs/dbraw/zinc/37/28/31/794372831.db2.gz VLJWRYXLEJOZLR-CQSZACIVSA-N 3 1 337.468 -1.002 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NCCN2CC[NH2+]CC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872552 794372526 /nfs/dbraw/zinc/37/25/26/794372526.db2.gz YPHNANIXLZFXRL-CYBMUJFWSA-N 3 1 339.440 -2.013 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NCCN2CCNCC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872552 794372505 /nfs/dbraw/zinc/37/25/05/794372505.db2.gz YPHNANIXLZFXRL-CYBMUJFWSA-N 3 1 339.440 -2.013 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NCCN2CC[NH2+]CC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872553 794373100 /nfs/dbraw/zinc/37/31/00/794373100.db2.gz YPHNANIXLZFXRL-ZDUSSCGKSA-N 3 1 339.440 -2.013 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NCCN2CCNCC2=O)OC2(CC[NH2+]CC2)C1 ZINC001220872553 794373086 /nfs/dbraw/zinc/37/30/86/794373086.db2.gz YPHNANIXLZFXRL-ZDUSSCGKSA-N 3 1 339.440 -2.013 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220872570 794373177 /nfs/dbraw/zinc/37/31/77/794373177.db2.gz ZKAWMDZFXGXTLN-CYBMUJFWSA-N 2 1 346.435 -1.318 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220872571 794373161 /nfs/dbraw/zinc/37/31/61/794373161.db2.gz ZKAWMDZFXGXTLN-ZDUSSCGKSA-N 2 1 346.435 -1.318 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cccnc1N1CC[NH2+]CC1 ZINC001220874160 794372684 /nfs/dbraw/zinc/37/26/84/794372684.db2.gz BJVZMEJZFNYGPT-UHFFFAOYSA-N 2 1 332.408 -1.347 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001220874212 794372967 /nfs/dbraw/zinc/37/29/67/794372967.db2.gz DYZQAIYWCTZFET-UHFFFAOYSA-N 2 1 338.437 -1.286 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001220874360 794373201 /nfs/dbraw/zinc/37/32/01/794373201.db2.gz GTFKMQWCUNRCFT-GFCCVEGCSA-N 2 1 333.392 -1.016 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001220874361 794372667 /nfs/dbraw/zinc/37/26/67/794372667.db2.gz GTFKMQWCUNRCFT-LBPRGKRZSA-N 2 1 333.392 -1.016 20 0 EAADMP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874663 794373437 /nfs/dbraw/zinc/37/34/37/794373437.db2.gz KWAWPPNNRLFPAM-AWEZNQCLSA-N 2 1 347.419 -1.779 20 0 EAADMP [NH3+][C@H](C(=O)NCCN1CC[NH2+]CC1=O)C1CCC2(CC1)OCCO2 ZINC001220874693 794374655 /nfs/dbraw/zinc/37/46/55/794374655.db2.gz LZJKHMNMDJAGPF-AWEZNQCLSA-N 2 1 340.424 -1.205 20 0 EAADMP [NH3+][C@@H](C(=O)NCCN1CC[NH2+]CC1=O)C1CCC2(CC1)OCCO2 ZINC001220874694 794373883 /nfs/dbraw/zinc/37/38/83/794373883.db2.gz LZJKHMNMDJAGPF-CQSZACIVSA-N 2 1 340.424 -1.205 20 0 EAADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874705 794374372 /nfs/dbraw/zinc/37/43/72/794374372.db2.gz MMKUBYFNFWXROX-NSHDSACASA-N 2 1 328.413 -1.146 20 0 EAADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCN2CC[NH2+]CC2=O)COC1(C)C ZINC001220874706 794374825 /nfs/dbraw/zinc/37/48/25/794374825.db2.gz MOZVULZBNQPBBK-QWRGUYRKSA-N 2 1 341.412 -2.155 20 0 EAADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874707 794373038 /nfs/dbraw/zinc/37/30/38/794373038.db2.gz MPXVNWCDFMPHNH-RYUDHWBXSA-N 2 1 327.429 -1.588 20 0 EAADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NCCN1CC[NH2+]CC1=O ZINC001220874722 794374682 /nfs/dbraw/zinc/37/46/82/794374682.db2.gz NNPKPGITDRFVCZ-GJZGRUSLSA-N 2 1 334.420 -1.145 20 0 EAADMP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874727 794374809 /nfs/dbraw/zinc/37/48/09/794374809.db2.gz NSRDSHRMGPNDEP-ZDUSSCGKSA-N 2 1 330.392 -1.019 20 0 EAADMP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCN2CC[NH2+]CC2=O)cc1 ZINC001220874848 794375449 /nfs/dbraw/zinc/37/54/49/794375449.db2.gz OESHIKNGTABBKP-ZDUSSCGKSA-N 2 1 333.392 -1.797 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220874888 794374521 /nfs/dbraw/zinc/37/45/21/794374521.db2.gz PTYRACFFYNWOPQ-UHFFFAOYSA-N 2 1 333.396 -1.952 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875127 794375230 /nfs/dbraw/zinc/37/52/30/794375230.db2.gz UEPZWKXVUKYNPM-IUCAKERBSA-N 2 1 328.373 -3.758 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCN1CC[NH2+]CC1=O)C(N)=O ZINC001220875146 794373858 /nfs/dbraw/zinc/37/38/58/794373858.db2.gz UXHYFKYIXDSAID-VHSXEESVSA-N 2 1 342.400 -3.368 20 0 EAADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1=O ZINC001220875168 794374344 /nfs/dbraw/zinc/37/43/44/794374344.db2.gz VVSVMCPKTKWBEW-LLVKDONJSA-N 2 1 328.413 -1.016 20 0 EAADMP O=C(NCCN1CC[NH2+]CC1=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001220875174 794375480 /nfs/dbraw/zinc/37/54/80/794375480.db2.gz WBAPMMQCRMSHGY-STQMWFEESA-N 2 1 337.424 -1.723 20 0 EAADMP [NH3+]C1(C(=O)NCCN2CC[NH2+]CC2=O)CCC2(CC1)OCCO2 ZINC001220875267 794374851 /nfs/dbraw/zinc/37/48/51/794374851.db2.gz ZYSVKPZVKYWZIO-UHFFFAOYSA-N 2 1 326.397 -1.451 20 0 EAADMP NC[C@@H]([NH3+])c1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001220902827 794377824 /nfs/dbraw/zinc/37/78/24/794377824.db2.gz BMRYIVICWCUBHI-GFCCVEGCSA-N 2 1 325.373 -1.077 20 0 EAADMP NC[C@H]([NH3+])c1ccc(C(=O)NCCN(CC[NH3+])N(O)N=O)cc1 ZINC001220902828 794378376 /nfs/dbraw/zinc/37/83/76/794378376.db2.gz BMRYIVICWCUBHI-LBPRGKRZSA-N 2 1 325.373 -1.077 20 0 EAADMP N[C@H](CN1CCC([NH3+])CC1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903177 794377780 /nfs/dbraw/zinc/37/77/80/794377780.db2.gz OKFAJGJRNVJQEA-LLVKDONJSA-N 2 1 332.409 -2.599 20 0 EAADMP N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903178 794379074 /nfs/dbraw/zinc/37/90/74/794379074.db2.gz OKFAJGJRNVJQEA-NSHDSACASA-N 2 1 332.409 -2.599 20 0 EAADMP CN1C[C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937533 794386535 /nfs/dbraw/zinc/38/65/35/794386535.db2.gz UTANYCNLKNGQEN-KBPBESRZSA-N 2 1 326.441 -1.066 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NCCO[C@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937533 794386521 /nfs/dbraw/zinc/38/65/21/794386521.db2.gz UTANYCNLKNGQEN-KBPBESRZSA-N 3 1 326.441 -1.066 20 0 EAADMP CN1C[C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937534 794387264 /nfs/dbraw/zinc/38/72/64/794387264.db2.gz UTANYCNLKNGQEN-KGLIPLIRSA-N 2 1 326.441 -1.066 20 0 EAADMP C[N@H+]1C[C@@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937534 794387258 /nfs/dbraw/zinc/38/72/58/794387258.db2.gz UTANYCNLKNGQEN-KGLIPLIRSA-N 3 1 326.441 -1.066 20 0 EAADMP CN1C[C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937535 794386333 /nfs/dbraw/zinc/38/63/33/794386333.db2.gz UTANYCNLKNGQEN-UONOGXRCSA-N 2 1 326.441 -1.066 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NCCO[C@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937535 794386324 /nfs/dbraw/zinc/38/63/24/794386324.db2.gz UTANYCNLKNGQEN-UONOGXRCSA-N 3 1 326.441 -1.066 20 0 EAADMP CN1C[C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937536 794386673 /nfs/dbraw/zinc/38/66/73/794386673.db2.gz UTANYCNLKNGQEN-ZIAGYGMSSA-N 2 1 326.441 -1.066 20 0 EAADMP C[N@H+]1C[C@H](C(=O)NCCO[C@@H]2CC[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001220937536 794386666 /nfs/dbraw/zinc/38/66/66/794386666.db2.gz UTANYCNLKNGQEN-ZIAGYGMSSA-N 3 1 326.441 -1.066 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975984 794392198 /nfs/dbraw/zinc/39/21/98/794392198.db2.gz DKGDSFQWRJPRGK-KFWWJZLASA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975984 794392190 /nfs/dbraw/zinc/39/21/90/794392190.db2.gz DKGDSFQWRJPRGK-KFWWJZLASA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975984 794392188 /nfs/dbraw/zinc/39/21/88/794392188.db2.gz DKGDSFQWRJPRGK-KFWWJZLASA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975985 794392600 /nfs/dbraw/zinc/39/26/00/794392600.db2.gz DKGDSFQWRJPRGK-ZNMIVQPWSA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975985 794392593 /nfs/dbraw/zinc/39/25/93/794392593.db2.gz DKGDSFQWRJPRGK-ZNMIVQPWSA-N 2 1 342.440 -1.748 20 0 EAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975985 794392583 /nfs/dbraw/zinc/39/25/83/794392583.db2.gz DKGDSFQWRJPRGK-ZNMIVQPWSA-N 2 1 342.440 -1.748 20 0 EAADMP CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221007138 794402753 /nfs/dbraw/zinc/40/27/53/794402753.db2.gz XFFLVBUVDVGQQM-IHRRRGAJSA-N 2 1 337.468 -1.099 20 0 EAADMP CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001221007139 794402735 /nfs/dbraw/zinc/40/27/35/794402735.db2.gz XFFLVBUVDVGQQM-MGPQQGTHSA-N 2 1 337.468 -1.099 20 0 EAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1[nH+]cn2ccccc12 ZINC001221008269 794403856 /nfs/dbraw/zinc/40/38/56/794403856.db2.gz PCWIBOMKPNLQKI-UWVGGRQHSA-N 2 1 332.364 -1.342 20 0 EAADMP COC(=O)CC[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001221018783 794405172 /nfs/dbraw/zinc/40/51/72/794405172.db2.gz JXOCQBIXIKIXMP-MNOVXSKESA-N 2 1 329.401 -2.340 20 0 EAADMP COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(N)=O ZINC001221018785 794405124 /nfs/dbraw/zinc/40/51/24/794405124.db2.gz JXOCQBIXIKIXMP-QWRGUYRKSA-N 2 1 329.401 -2.340 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083084 794411757 /nfs/dbraw/zinc/41/17/57/794411757.db2.gz FGDCMYMDDFYZFM-KFWWJZLASA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083084 794411753 /nfs/dbraw/zinc/41/17/53/794411753.db2.gz FGDCMYMDDFYZFM-KFWWJZLASA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083084 794411751 /nfs/dbraw/zinc/41/17/51/794411751.db2.gz FGDCMYMDDFYZFM-KFWWJZLASA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083085 794411103 /nfs/dbraw/zinc/41/11/03/794411103.db2.gz FGDCMYMDDFYZFM-ZNMIVQPWSA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083085 794411098 /nfs/dbraw/zinc/41/10/98/794411098.db2.gz FGDCMYMDDFYZFM-ZNMIVQPWSA-N 2 1 339.440 -1.255 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001221083085 794411094 /nfs/dbraw/zinc/41/10/94/794411094.db2.gz FGDCMYMDDFYZFM-ZNMIVQPWSA-N 2 1 339.440 -1.255 20 0 EAADMP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089301 794412602 /nfs/dbraw/zinc/41/26/02/794412602.db2.gz BTVOMYPDMAHUQP-CABCVRRESA-N 2 1 344.456 -1.359 20 0 EAADMP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089301 794412597 /nfs/dbraw/zinc/41/25/97/794412597.db2.gz BTVOMYPDMAHUQP-CABCVRRESA-N 2 1 344.456 -1.359 20 0 EAADMP CC(=O)NCCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089301 794412590 /nfs/dbraw/zinc/41/25/90/794412590.db2.gz BTVOMYPDMAHUQP-CABCVRRESA-N 2 1 344.456 -1.359 20 0 EAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089709 794412839 /nfs/dbraw/zinc/41/28/39/794412839.db2.gz OAAYLXHDQOYZRJ-KFWWJZLASA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089709 794412832 /nfs/dbraw/zinc/41/28/32/794412832.db2.gz OAAYLXHDQOYZRJ-KFWWJZLASA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089709 794412827 /nfs/dbraw/zinc/41/28/27/794412827.db2.gz OAAYLXHDQOYZRJ-KFWWJZLASA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089710 794413680 /nfs/dbraw/zinc/41/36/80/794413680.db2.gz OAAYLXHDQOYZRJ-ZNMIVQPWSA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@@H](O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089710 794413678 /nfs/dbraw/zinc/41/36/78/794413678.db2.gz OAAYLXHDQOYZRJ-ZNMIVQPWSA-N 2 1 347.456 -1.488 20 0 EAADMP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089710 794413675 /nfs/dbraw/zinc/41/36/75/794413675.db2.gz OAAYLXHDQOYZRJ-ZNMIVQPWSA-N 2 1 347.456 -1.488 20 0 EAADMP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1COC[NH2+]1 ZINC001221148787 794419131 /nfs/dbraw/zinc/41/91/31/794419131.db2.gz OZFLXSGADXTFBX-ZDUSSCGKSA-N 2 1 340.405 -1.122 20 0 EAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001221187841 794424955 /nfs/dbraw/zinc/42/49/55/794424955.db2.gz HSJZTVRGNGJFNF-QWHCGFSZSA-N 2 1 342.440 -1.164 20 0 EAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001221187841 794424952 /nfs/dbraw/zinc/42/49/52/794424952.db2.gz HSJZTVRGNGJFNF-QWHCGFSZSA-N 3 1 342.440 -1.164 20 0 EAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CN(C)CC2(CC[NH2+]CC2)O1 ZINC001221187842 794424902 /nfs/dbraw/zinc/42/49/02/794424902.db2.gz HSJZTVRGNGJFNF-STQMWFEESA-N 2 1 342.440 -1.164 20 0 EAADMP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001221187842 794424899 /nfs/dbraw/zinc/42/48/99/794424899.db2.gz HSJZTVRGNGJFNF-STQMWFEESA-N 3 1 342.440 -1.164 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001221254095 794431164 /nfs/dbraw/zinc/43/11/64/794431164.db2.gz FJWBOSCFQXOOKE-AVGNSLFASA-N 2 1 339.440 -1.491 20 0 EAADMP C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001221254864 794431241 /nfs/dbraw/zinc/43/12/41/794431241.db2.gz XSVNSWAVVYKBPF-JTQLQIEISA-N 2 1 342.400 -3.638 20 0 EAADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@@H]21)Cc1ccc(F)c(F)c1 ZINC001221265008 794431352 /nfs/dbraw/zinc/43/13/52/794431352.db2.gz DVNNMTSWPAXAOQ-ISGRIPCHSA-N 2 1 340.378 -1.256 20 0 EAADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@@H]2NCN[C@H]21)Cc1ccc(F)c(F)c1 ZINC001221265009 794432032 /nfs/dbraw/zinc/43/20/32/794432032.db2.gz DVNNMTSWPAXAOQ-JVOAXRGISA-N 2 1 340.378 -1.256 20 0 EAADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@H]21)Cc1ccc(F)c(F)c1 ZINC001221265010 794431677 /nfs/dbraw/zinc/43/16/77/794431677.db2.gz DVNNMTSWPAXAOQ-MOZUYYIMSA-N 2 1 340.378 -1.256 20 0 EAADMP [NH3+][C@H](CC(=O)N1CN[C@@H]([NH3+])[C@H]2NCN[C@@H]21)Cc1ccc(F)c(F)c1 ZINC001221265011 794431846 /nfs/dbraw/zinc/43/18/46/794431846.db2.gz DVNNMTSWPAXAOQ-PSQHIMEXSA-N 2 1 340.378 -1.256 20 0 EAADMP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265088 794431797 /nfs/dbraw/zinc/43/17/97/794431797.db2.gz GIBRIKYFHAYZDS-CRWXNKLISA-N 2 1 338.843 -1.010 20 0 EAADMP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265089 794431612 /nfs/dbraw/zinc/43/16/12/794431612.db2.gz GIBRIKYFHAYZDS-RFQIPJPRSA-N 2 1 338.843 -1.010 20 0 EAADMP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265090 794431074 /nfs/dbraw/zinc/43/10/74/794431074.db2.gz GIBRIKYFHAYZDS-XDQVBPFNSA-N 2 1 338.843 -1.010 20 0 EAADMP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265091 794432402 /nfs/dbraw/zinc/43/24/02/794432402.db2.gz GIBRIKYFHAYZDS-XUXIUFHCSA-N 2 1 338.843 -1.010 20 0 EAADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265176 794431266 /nfs/dbraw/zinc/43/12/66/794431266.db2.gz HTDHHIIVJVWCIJ-KXGXSXBTSA-N 2 1 328.417 -2.045 20 0 EAADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265177 794432277 /nfs/dbraw/zinc/43/22/77/794432277.db2.gz HTDHHIIVJVWCIJ-NUGNTBJXSA-N 2 1 328.417 -2.045 20 0 EAADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265178 794431223 /nfs/dbraw/zinc/43/12/23/794431223.db2.gz HTDHHIIVJVWCIJ-QTKMDUPCSA-N 2 1 328.417 -2.045 20 0 EAADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265179 794432106 /nfs/dbraw/zinc/43/21/06/794432106.db2.gz HTDHHIIVJVWCIJ-YJQGPUDQSA-N 2 1 328.417 -2.045 20 0 EAADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221265382 794432397 /nfs/dbraw/zinc/43/23/97/794432397.db2.gz LCRNHUMTSNDYNK-GSVCSZOMSA-N 2 1 342.444 -1.655 20 0 EAADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221265383 794431178 /nfs/dbraw/zinc/43/11/78/794431178.db2.gz LCRNHUMTSNDYNK-HBEIAFGSSA-N 2 1 342.444 -1.655 20 0 EAADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221265384 794431877 /nfs/dbraw/zinc/43/18/77/794431877.db2.gz LCRNHUMTSNDYNK-NZPIUUIZSA-N 2 1 342.444 -1.655 20 0 EAADMP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221265385 794431118 /nfs/dbraw/zinc/43/11/18/794431118.db2.gz LCRNHUMTSNDYNK-VZLIPTOUSA-N 2 1 342.444 -1.655 20 0 EAADMP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266001 794431728 /nfs/dbraw/zinc/43/17/28/794431728.db2.gz RLQWNSCGOANZQY-AJNGGQMLSA-N 2 1 334.424 -1.690 20 0 EAADMP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266002 794431977 /nfs/dbraw/zinc/43/19/77/794431977.db2.gz RLQWNSCGOANZQY-LJISPDSOSA-N 2 1 334.424 -1.690 20 0 EAADMP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266003 794433771 /nfs/dbraw/zinc/43/37/71/794433771.db2.gz RLQWNSCGOANZQY-XGUBFFRZSA-N 2 1 334.424 -1.690 20 0 EAADMP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266004 794432710 /nfs/dbraw/zinc/43/27/10/794432710.db2.gz RLQWNSCGOANZQY-ZQDZILKHSA-N 2 1 334.424 -1.690 20 0 EAADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266044 794433636 /nfs/dbraw/zinc/43/36/36/794433636.db2.gz RVAZIWSYFZTRLU-IELRGYKMSA-N 2 1 328.417 -2.175 20 0 EAADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266045 794432962 /nfs/dbraw/zinc/43/29/62/794432962.db2.gz RVAZIWSYFZTRLU-PDEGPIFNSA-N 2 1 328.417 -2.175 20 0 EAADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266046 794432622 /nfs/dbraw/zinc/43/26/22/794432622.db2.gz RVAZIWSYFZTRLU-VGDYDELISA-N 2 1 328.417 -2.175 20 0 EAADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266047 794433735 /nfs/dbraw/zinc/43/37/35/794433735.db2.gz RVAZIWSYFZTRLU-ZDDJMSTPSA-N 2 1 328.417 -2.175 20 0 EAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278436 794434035 /nfs/dbraw/zinc/43/40/35/794434035.db2.gz SMCBAOHABLKKRG-SECBINFHSA-N 2 1 325.335 -1.469 20 0 EAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278437 794433372 /nfs/dbraw/zinc/43/33/72/794433372.db2.gz SMCBAOHABLKKRG-VIFPVBQESA-N 2 1 325.335 -1.469 20 0 EAADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407956 794435311 /nfs/dbraw/zinc/43/53/11/794435311.db2.gz GJEHKWYKXGMQLL-CYDGBPFRSA-N 2 1 341.456 -1.071 20 0 EAADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC001221407958 794435658 /nfs/dbraw/zinc/43/56/58/794435658.db2.gz GJEHKWYKXGMQLL-RVMXOQNASA-N 2 1 341.456 -1.071 20 0 EAADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407959 794435211 /nfs/dbraw/zinc/43/52/11/794435211.db2.gz GJEHKWYKXGMQLL-VOAKCMCISA-N 2 1 341.456 -1.071 20 0 EAADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H](C)C1 ZINC001221407961 794435789 /nfs/dbraw/zinc/43/57/89/794435789.db2.gz GJEHKWYKXGMQLL-XQHKEYJVSA-N 2 1 341.456 -1.071 20 0 EAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCNC3(CC[NH2+]CC3)C2)O1 ZINC001222085800 794459555 /nfs/dbraw/zinc/45/95/55/794459555.db2.gz LKQNWNQPMQIHMO-HZSPNIEDSA-N 2 1 329.441 -1.113 20 0 EAADMP CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)O1 ZINC001222492371 794464791 /nfs/dbraw/zinc/46/47/91/794464791.db2.gz UXUUMOZSQQHFQK-SBJFKYEJSA-N 2 1 329.441 -1.115 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001225426808 794493443 /nfs/dbraw/zinc/49/34/43/794493443.db2.gz HOLFYCWDNXJWGB-GFCCVEGCSA-N 2 1 325.413 -1.039 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001225426809 794493451 /nfs/dbraw/zinc/49/34/51/794493451.db2.gz HOLFYCWDNXJWGB-LBPRGKRZSA-N 2 1 325.413 -1.039 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001225525090 794494971 /nfs/dbraw/zinc/49/49/71/794494971.db2.gz LIBNPUWQYOQHBV-IJLUTSLNSA-N 2 1 341.412 -1.471 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001225525090 794494968 /nfs/dbraw/zinc/49/49/68/794494968.db2.gz LIBNPUWQYOQHBV-IJLUTSLNSA-N 2 1 341.412 -1.471 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001225525096 794495289 /nfs/dbraw/zinc/49/52/89/794495289.db2.gz LIBNPUWQYOQHBV-UTUOFQBUSA-N 2 1 341.412 -1.471 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001225525096 794495286 /nfs/dbraw/zinc/49/52/86/794495286.db2.gz LIBNPUWQYOQHBV-UTUOFQBUSA-N 2 1 341.412 -1.471 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)O1 ZINC001227954690 794521191 /nfs/dbraw/zinc/52/11/91/794521191.db2.gz XCRHNXXCRQEGHQ-ZYHUDNBSSA-N 2 1 341.412 -1.519 20 0 EAADMP C[NH+](C)CCC(=O)NC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC001228991678 794534568 /nfs/dbraw/zinc/53/45/68/794534568.db2.gz JBDWJCDDWHOQJP-UHFFFAOYSA-N 2 1 339.440 -1.523 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184749 794535820 /nfs/dbraw/zinc/53/58/20/794535820.db2.gz BAZKHOKJSWBNMQ-CMPLNLGQSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184749 794535815 /nfs/dbraw/zinc/53/58/15/794535815.db2.gz BAZKHOKJSWBNMQ-CMPLNLGQSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184750 794535503 /nfs/dbraw/zinc/53/55/03/794535503.db2.gz BAZKHOKJSWBNMQ-JQWIXIFHSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184750 794535495 /nfs/dbraw/zinc/53/54/95/794535495.db2.gz BAZKHOKJSWBNMQ-JQWIXIFHSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184751 794534975 /nfs/dbraw/zinc/53/49/75/794534975.db2.gz BAZKHOKJSWBNMQ-PWSUYJOCSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184751 794534971 /nfs/dbraw/zinc/53/49/71/794534971.db2.gz BAZKHOKJSWBNMQ-PWSUYJOCSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184753 794535970 /nfs/dbraw/zinc/53/59/70/794535970.db2.gz BAZKHOKJSWBNMQ-ZYHUDNBSSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001229184753 794535964 /nfs/dbraw/zinc/53/59/64/794535964.db2.gz BAZKHOKJSWBNMQ-ZYHUDNBSSA-N 2 1 325.413 -1.040 20 0 EAADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035117 794544189 /nfs/dbraw/zinc/54/41/89/794544189.db2.gz RJGDXLLOJJAEOO-LLVKDONJSA-N 2 1 343.428 -1.271 20 0 EAADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230035119 794544942 /nfs/dbraw/zinc/54/49/42/794544942.db2.gz RJGDXLLOJJAEOO-NSHDSACASA-N 2 1 343.428 -1.271 20 0 EAADMP C[NH+](C)CCOCC(=O)NC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001230048517 794545149 /nfs/dbraw/zinc/54/51/49/794545149.db2.gz FJQGLDYAOXFZME-UHFFFAOYSA-N 2 1 329.401 -1.660 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048745 794544386 /nfs/dbraw/zinc/54/43/86/794544386.db2.gz RDIOCBZSYCZKCH-UHFFFAOYSA-N 2 1 343.428 -1.399 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262959 794550223 /nfs/dbraw/zinc/55/02/23/794550223.db2.gz ZATWBMANBSDMEG-LLVKDONJSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262959 794550220 /nfs/dbraw/zinc/55/02/20/794550220.db2.gz ZATWBMANBSDMEG-LLVKDONJSA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262960 794550281 /nfs/dbraw/zinc/55/02/81/794550281.db2.gz ZATWBMANBSDMEG-NSHDSACASA-N 2 1 325.413 -1.026 20 0 EAADMP CNC(=O)NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262960 794550278 /nfs/dbraw/zinc/55/02/78/794550278.db2.gz ZATWBMANBSDMEG-NSHDSACASA-N 2 1 325.413 -1.026 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001230307323 794551881 /nfs/dbraw/zinc/55/18/81/794551881.db2.gz UJPQCHMKCDSREX-GFCCVEGCSA-N 2 1 341.412 -1.517 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NC2CCN(CC(=O)NC(N)=O)CC2)C1 ZINC001230307324 794552609 /nfs/dbraw/zinc/55/26/09/794552609.db2.gz UJPQCHMKCDSREX-LBPRGKRZSA-N 2 1 341.412 -1.517 20 0 EAADMP Cn1cc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC001231770483 794595330 /nfs/dbraw/zinc/59/53/30/794595330.db2.gz LEZXSDGSPSCWIG-UHFFFAOYSA-N 2 1 337.424 -1.320 20 0 EAADMP Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC001231771459 794594987 /nfs/dbraw/zinc/59/49/87/794594987.db2.gz SWEQGKRNPYPYDZ-CYBMUJFWSA-N 2 1 337.424 -1.274 20 0 EAADMP Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC001231771459 794594985 /nfs/dbraw/zinc/59/49/85/794594985.db2.gz SWEQGKRNPYPYDZ-CYBMUJFWSA-N 2 1 337.424 -1.274 20 0 EAADMP CS(=O)(=O)N1CCC(C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235869692 794642931 /nfs/dbraw/zinc/64/29/31/794642931.db2.gz KZOABUFBJFQWRU-UHFFFAOYSA-N 2 1 347.529 -1.258 20 0 EAADMP O=S(=O)(CCNS(=O)(=O)[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001238122475 794659798 /nfs/dbraw/zinc/65/97/98/794659798.db2.gz JHLYZNANTDDPQG-JTQLQIEISA-N 2 1 326.444 -2.497 20 0 EAADMP O=S(=O)(CCNS(=O)(=O)[C@@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC001238122492 794660687 /nfs/dbraw/zinc/66/06/87/794660687.db2.gz JHLYZNANTDDPQG-SNVBAGLBSA-N 2 1 326.444 -2.497 20 0 EAADMP O=S(=O)(CCNS(=O)(=O)C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC001238124342 794660321 /nfs/dbraw/zinc/66/03/21/794660321.db2.gz UZZFUJXQVHJWJP-UHFFFAOYSA-N 2 1 340.471 -2.107 20 0 EAADMP O=c1cc(CNS(=O)(=O)C2CC[NH2+]CC2)nc2n1CCC[NH2+]C2 ZINC001238291346 794661957 /nfs/dbraw/zinc/66/19/57/794661957.db2.gz BUFODYKQGKRJPJ-UHFFFAOYSA-N 2 1 341.437 -1.092 20 0 EAADMP O=c1cc(CNS(=O)(=O)[C@@H]2CC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001238292156 794662095 /nfs/dbraw/zinc/66/20/95/794662095.db2.gz IIKXAVZQVNJROJ-LLVKDONJSA-N 2 1 327.410 -1.482 20 0 EAADMP O=c1cc(CNS(=O)(=O)[C@H]2CC[NH2+]C2)nc2n1CCC[NH2+]C2 ZINC001238292163 794661707 /nfs/dbraw/zinc/66/17/07/794661707.db2.gz IIKXAVZQVNJROJ-NSHDSACASA-N 2 1 327.410 -1.482 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001239077024 794666101 /nfs/dbraw/zinc/66/61/01/794666101.db2.gz JFSRFGKFWUWZAS-NEPJUHHUSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001239077024 794666098 /nfs/dbraw/zinc/66/60/98/794666098.db2.gz JFSRFGKFWUWZAS-NEPJUHHUSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001239077025 794666184 /nfs/dbraw/zinc/66/61/84/794666184.db2.gz JFSRFGKFWUWZAS-NWDGAFQWSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001239077025 794666181 /nfs/dbraw/zinc/66/61/81/794666181.db2.gz JFSRFGKFWUWZAS-NWDGAFQWSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001239077026 794665914 /nfs/dbraw/zinc/66/59/14/794665914.db2.gz JFSRFGKFWUWZAS-RYUDHWBXSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001239077026 794665908 /nfs/dbraw/zinc/66/59/08/794665908.db2.gz JFSRFGKFWUWZAS-RYUDHWBXSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001239077027 794665813 /nfs/dbraw/zinc/66/58/13/794665813.db2.gz JFSRFGKFWUWZAS-VXGBXAGGSA-N 2 1 327.410 -1.098 20 0 EAADMP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001239077027 794665806 /nfs/dbraw/zinc/66/58/06/794665806.db2.gz JFSRFGKFWUWZAS-VXGBXAGGSA-N 2 1 327.410 -1.098 20 0 EAADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]2C1 ZINC001239078113 794665701 /nfs/dbraw/zinc/66/57/01/794665701.db2.gz STWXBIWZEBUTJB-CHWSQXEVSA-N 2 1 348.469 -1.614 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]2C1 ZINC001239078113 794665694 /nfs/dbraw/zinc/66/56/94/794665694.db2.gz STWXBIWZEBUTJB-CHWSQXEVSA-N 2 1 348.469 -1.614 20 0 EAADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(S(=O)(=O)CC[NH3+])CC[C@@H]21 ZINC001239081211 794665717 /nfs/dbraw/zinc/66/57/17/794665717.db2.gz OCKXADLCVBJVLH-AGIUHOORSA-N 2 1 328.442 -1.039 20 0 EAADMP O=C1C[C@H]2[NH2+]CC[C@]2(NC(=S)NCCC[NH+]2CCOCC2)N1 ZINC001239366764 794667383 /nfs/dbraw/zinc/66/73/83/794667383.db2.gz HMGNAOVWROQMRV-BXUZGUMPSA-N 2 1 327.454 -1.249 20 0 EAADMP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC(=S)NCCC[NH+]2CCOCC2)N1 ZINC001239366781 794666784 /nfs/dbraw/zinc/66/67/84/794666784.db2.gz HMGNAOVWROQMRV-FZMZJTMJSA-N 2 1 327.454 -1.249 20 0 EAADMP O=C1C[C@H]2[NH2+]CC[C@@]2(NC(=S)NCCC[NH+]2CCOCC2)N1 ZINC001239366782 794667442 /nfs/dbraw/zinc/66/74/42/794667442.db2.gz HMGNAOVWROQMRV-RISCZKNCSA-N 2 1 327.454 -1.249 20 0 EAADMP O=C1C[C@@H]2[NH2+]CC[C@]2(NC(=S)NCCC[NH+]2CCOCC2)N1 ZINC001239366784 794667525 /nfs/dbraw/zinc/66/75/25/794667525.db2.gz HMGNAOVWROQMRV-SMDDNHRTSA-N 2 1 327.454 -1.249 20 0 EAADMP O=S1(=O)CC[C@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)C12C[NH2+]C2 ZINC001245984212 794670668 /nfs/dbraw/zinc/67/06/68/794670668.db2.gz IQUKHFNTKXLASL-NEPJUHHUSA-N 2 1 333.454 -2.029 20 0 EAADMP O=S1(=O)CC[C@@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)C12C[NH2+]C2 ZINC001245984227 794671143 /nfs/dbraw/zinc/67/11/43/794671143.db2.gz IQUKHFNTKXLASL-NWDGAFQWSA-N 2 1 333.454 -2.029 20 0 EAADMP O=S1(=O)CC[C@H](NC[C@@H](O)CC2(O)CC[NH2+]CC2)C12C[NH2+]C2 ZINC001245984228 794670431 /nfs/dbraw/zinc/67/04/31/794670431.db2.gz IQUKHFNTKXLASL-RYUDHWBXSA-N 2 1 333.454 -2.029 20 0 EAADMP O=S1(=O)CC[C@@H](NC[C@H](O)CC2(O)CC[NH2+]CC2)C12C[NH2+]C2 ZINC001245984229 794670780 /nfs/dbraw/zinc/67/07/80/794670780.db2.gz IQUKHFNTKXLASL-VXGBXAGGSA-N 2 1 333.454 -2.029 20 0 EAADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984938 794671457 /nfs/dbraw/zinc/67/14/57/794671457.db2.gz ZFZIHPNDUBBYLK-BFHYXJOUSA-N 2 1 329.441 -1.017 20 0 EAADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984946 794671309 /nfs/dbraw/zinc/67/13/09/794671309.db2.gz ZFZIHPNDUBBYLK-MCIONIFRSA-N 2 1 329.441 -1.017 20 0 EAADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984950 794671158 /nfs/dbraw/zinc/67/11/58/794671158.db2.gz ZFZIHPNDUBBYLK-MGPQQGTHSA-N 2 1 329.441 -1.017 20 0 EAADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245984954 794670481 /nfs/dbraw/zinc/67/04/81/794670481.db2.gz ZFZIHPNDUBBYLK-MJBXVCDLSA-N 2 1 329.441 -1.017 20 0 EAADMP [NH3+]CCOCCOCCOCCOCCNC[C@]1(O)CCC[NH2+]C1 ZINC001245988378 794670460 /nfs/dbraw/zinc/67/04/60/794670460.db2.gz HOQZUDDBHTUTIX-INIZCTEOSA-N 2 1 349.472 -1.284 20 0 EAADMP [NH3+]CCOCCOCCOCCOCCNC[C@@]1(O)CCC[NH2+]C1 ZINC001245988402 794670859 /nfs/dbraw/zinc/67/08/59/794670859.db2.gz HOQZUDDBHTUTIX-MRXNPFEDSA-N 2 1 349.472 -1.284 20 0 EAADMP [NH3+]CCOCCOCCOCCOCCNC[C@]1(O)CC[NH2+]C1 ZINC001245990913 794671370 /nfs/dbraw/zinc/67/13/70/794671370.db2.gz SZQQZPZQGMXNQR-HNNXBMFYSA-N 2 1 335.445 -1.675 20 0 EAADMP [NH3+]CCOCCOCCOCCOCCNC[C@@]1(O)CC[NH2+]C1 ZINC001245990924 794671171 /nfs/dbraw/zinc/67/11/71/794671171.db2.gz SZQQZPZQGMXNQR-OAHLLOKOSA-N 2 1 335.445 -1.675 20 0 EAADMP O=C1NCC[C@@]12CN(C[C@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024677 794670387 /nfs/dbraw/zinc/67/03/87/794670387.db2.gz PKSPHEJPGSCLLQ-CXAGYDPISA-N 2 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@@]12C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024677 794670382 /nfs/dbraw/zinc/67/03/82/794670382.db2.gz PKSPHEJPGSCLLQ-CXAGYDPISA-N 3 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@]12CN(C[C@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024678 794671219 /nfs/dbraw/zinc/67/12/19/794671219.db2.gz PKSPHEJPGSCLLQ-DYVFJYSZSA-N 2 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@]12C[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024678 794671215 /nfs/dbraw/zinc/67/12/15/794671215.db2.gz PKSPHEJPGSCLLQ-DYVFJYSZSA-N 3 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@]12CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024679 794671046 /nfs/dbraw/zinc/67/10/46/794671046.db2.gz PKSPHEJPGSCLLQ-GUYCJALGSA-N 2 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@]12C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024679 794671042 /nfs/dbraw/zinc/67/10/42/794671042.db2.gz PKSPHEJPGSCLLQ-GUYCJALGSA-N 3 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@@]12CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024680 794670809 /nfs/dbraw/zinc/67/08/09/794670809.db2.gz PKSPHEJPGSCLLQ-SUMWQHHRSA-N 2 1 338.452 -1.737 20 0 EAADMP O=C1NCC[C@@]12C[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)CC21C[NH2+]C1 ZINC001246024680 794670803 /nfs/dbraw/zinc/67/08/03/794670803.db2.gz PKSPHEJPGSCLLQ-SUMWQHHRSA-N 3 1 338.452 -1.737 20 0 EAADMP O=C1C[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246024990 794670831 /nfs/dbraw/zinc/67/08/31/794670831.db2.gz QWJOWMFCBZLXHX-CYBMUJFWSA-N 3 1 326.441 -1.594 20 0 EAADMP O=C1C[N@@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246024990 794670827 /nfs/dbraw/zinc/67/08/27/794670827.db2.gz QWJOWMFCBZLXHX-CYBMUJFWSA-N 3 1 326.441 -1.594 20 0 EAADMP O=C1C[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246025009 794671395 /nfs/dbraw/zinc/67/13/95/794671395.db2.gz QWJOWMFCBZLXHX-ZDUSSCGKSA-N 3 1 326.441 -1.594 20 0 EAADMP O=C1C[N@@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC2(CC[NH2+]CC2)N1 ZINC001246025009 794671388 /nfs/dbraw/zinc/67/13/88/794671388.db2.gz QWJOWMFCBZLXHX-ZDUSSCGKSA-N 3 1 326.441 -1.594 20 0 EAADMP O[C@H](C[N@H+]1CCCO[C@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032957 794670872 /nfs/dbraw/zinc/67/08/72/794670872.db2.gz NCLJXILASBJLMB-DOTOQJQBSA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@H](C[N@@H+]1CCCO[C@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032957 794670869 /nfs/dbraw/zinc/67/08/69/794670869.db2.gz NCLJXILASBJLMB-DOTOQJQBSA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@@H](C[N@H+]1CCCO[C@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032961 794671537 /nfs/dbraw/zinc/67/15/37/794671537.db2.gz NCLJXILASBJLMB-NVXWUHKLSA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@@H](C[N@@H+]1CCCO[C@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032961 794671532 /nfs/dbraw/zinc/67/15/32/794671532.db2.gz NCLJXILASBJLMB-NVXWUHKLSA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@H](C[N@H+]1CCCO[C@@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032962 794671097 /nfs/dbraw/zinc/67/10/97/794671097.db2.gz NCLJXILASBJLMB-RDJZCZTQSA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@H](C[N@@H+]1CCCO[C@@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032962 794671094 /nfs/dbraw/zinc/67/10/94/794671094.db2.gz NCLJXILASBJLMB-RDJZCZTQSA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@@H](C[N@H+]1CCCO[C@@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032963 794671480 /nfs/dbraw/zinc/67/14/80/794671480.db2.gz NCLJXILASBJLMB-WBVHZDCISA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@@H](C[N@@H+]1CCCO[C@@]2(CNCCOC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246032963 794671475 /nfs/dbraw/zinc/67/14/75/794671475.db2.gz NCLJXILASBJLMB-WBVHZDCISA-N 2 1 343.468 -1.067 20 0 EAADMP O[C@@H](C[N@H+]1CCOC[C@@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033182 794671283 /nfs/dbraw/zinc/67/12/83/794671283.db2.gz UJPXLMZYZCXIFW-GDBMZVCRSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@@H](C[N@@H+]1CCOC[C@@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033182 794671278 /nfs/dbraw/zinc/67/12/78/794671278.db2.gz UJPXLMZYZCXIFW-GDBMZVCRSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@H](C[N@H+]1CCOC[C@@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033183 794671026 /nfs/dbraw/zinc/67/10/26/794671026.db2.gz UJPXLMZYZCXIFW-GOEBONIOSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@H](C[N@@H+]1CCOC[C@@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033183 794671022 /nfs/dbraw/zinc/67/10/22/794671022.db2.gz UJPXLMZYZCXIFW-GOEBONIOSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@H](C[N@H+]1CCOC[C@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033185 794670761 /nfs/dbraw/zinc/67/07/61/794670761.db2.gz UJPXLMZYZCXIFW-HOCLYGCPSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@H](C[N@@H+]1CCOC[C@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033185 794670756 /nfs/dbraw/zinc/67/07/56/794670756.db2.gz UJPXLMZYZCXIFW-HOCLYGCPSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@@H](C[N@H+]1CCOC[C@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033186 794670332 /nfs/dbraw/zinc/67/03/32/794670332.db2.gz UJPXLMZYZCXIFW-ZBFHGGJFSA-N 2 1 329.441 -1.457 20 0 EAADMP O[C@@H](C[N@@H+]1CCOC[C@]2(CNCCO2)C1)CC1(O)CC[NH2+]CC1 ZINC001246033186 794670325 /nfs/dbraw/zinc/67/03/25/794670325.db2.gz UJPXLMZYZCXIFW-ZBFHGGJFSA-N 2 1 329.441 -1.457 20 0 EAADMP O=C([C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1)N1CCSC1 ZINC001246084444 794672081 /nfs/dbraw/zinc/67/20/81/794672081.db2.gz SFQRHGPLMMFXSW-OWTLIXCDSA-N 2 1 332.445 -1.098 20 0 EAADMP O=C([C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CN1)N1CCSC1 ZINC001246084448 794672939 /nfs/dbraw/zinc/67/29/39/794672939.db2.gz SFQRHGPLMMFXSW-ZJQBRPOHSA-N 2 1 332.445 -1.098 20 0 EAADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC001246100512 794672570 /nfs/dbraw/zinc/67/25/70/794672570.db2.gz MWQIBERHORNTGY-NEPJUHHUSA-N 2 1 334.442 -1.895 20 0 EAADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC001246100514 794672241 /nfs/dbraw/zinc/67/22/41/794672241.db2.gz MWQIBERHORNTGY-RYUDHWBXSA-N 2 1 334.442 -1.895 20 0 EAADMP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246102220 794672556 /nfs/dbraw/zinc/67/25/56/794672556.db2.gz SAYPWSVPNZCMSB-NEPJUHHUSA-N 2 1 334.442 -1.895 20 0 EAADMP COC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246102221 794672455 /nfs/dbraw/zinc/67/24/55/794672455.db2.gz SAYPWSVPNZCMSB-RYUDHWBXSA-N 2 1 334.442 -1.895 20 0 EAADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246104688 794672818 /nfs/dbraw/zinc/67/28/18/794672818.db2.gz YXBBHCFDNNMQDF-OLZOCXBDSA-N 2 1 348.469 -1.505 20 0 EAADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CN1 ZINC001246104690 794673090 /nfs/dbraw/zinc/67/30/90/794673090.db2.gz YXBBHCFDNNMQDF-STQMWFEESA-N 2 1 348.469 -1.505 20 0 EAADMP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC001246104708 794672095 /nfs/dbraw/zinc/67/20/95/794672095.db2.gz ZDHOWPXFZJSBDH-OLZOCXBDSA-N 2 1 348.469 -1.505 20 0 EAADMP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N2CC[NH2+]CC2)CCN1 ZINC001246104709 794673042 /nfs/dbraw/zinc/67/30/42/794673042.db2.gz ZDHOWPXFZJSBDH-STQMWFEESA-N 2 1 348.469 -1.505 20 0 EAADMP O=C(CC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1)N1CC[NH2+]CC1 ZINC001246107255 794672044 /nfs/dbraw/zinc/67/20/44/794672044.db2.gz HDMNRGURZFQMFN-OLZOCXBDSA-N 2 1 341.481 -1.339 20 0 EAADMP O=C(CC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1)N1CC[NH2+]CC1 ZINC001246107265 794672929 /nfs/dbraw/zinc/67/29/29/794672929.db2.gz HDMNRGURZFQMFN-STQMWFEESA-N 2 1 341.481 -1.339 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246207450 794671951 /nfs/dbraw/zinc/67/19/51/794671951.db2.gz AFDPNPHJHGXCMP-DCAQKATOSA-N 2 1 329.401 -1.326 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246207452 794673029 /nfs/dbraw/zinc/67/30/29/794673029.db2.gz AFDPNPHJHGXCMP-VWYCJHECSA-N 2 1 329.401 -1.326 20 0 EAADMP [NH3+]CCOCCOCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246284158 794674340 /nfs/dbraw/zinc/67/43/40/794674340.db2.gz LGXGGBPMYLURRU-OLZOCXBDSA-N 2 1 332.470 -1.169 20 0 EAADMP [NH3+]CCOCCOCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246284159 794674314 /nfs/dbraw/zinc/67/43/14/794674314.db2.gz LGXGGBPMYLURRU-STQMWFEESA-N 2 1 332.470 -1.169 20 0 EAADMP [NH3+][C@H]1[C@H](n2ccc(N[C@@H]3CCC[NH2+]C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246312673 794673633 /nfs/dbraw/zinc/67/36/33/794673633.db2.gz AIQQWWTYTLVNFM-CSBRLYRZSA-N 2 1 325.369 -2.181 20 0 EAADMP [NH3+][C@H]1[C@H](n2ccc(N[C@H]3CCC[NH2+]C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246312679 794673458 /nfs/dbraw/zinc/67/34/58/794673458.db2.gz AIQQWWTYTLVNFM-IINAIABHSA-N 2 1 325.369 -2.181 20 0 EAADMP C[C@@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC[NH2+]1 ZINC001246313148 794673946 /nfs/dbraw/zinc/67/39/46/794673946.db2.gz BTNZEGZLWFOGOF-IJKURQBASA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC[NH2+]1 ZINC001246313150 794673902 /nfs/dbraw/zinc/67/39/02/794673902.db2.gz BTNZEGZLWFOGOF-NBOSWCJFSA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@H]1C[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC[NH2+]1 ZINC001246313152 794673882 /nfs/dbraw/zinc/67/38/82/794673882.db2.gz BTNZEGZLWFOGOF-STSKEMDZSA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@H]1C[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC[NH2+]1 ZINC001246313154 794673523 /nfs/dbraw/zinc/67/35/23/794673523.db2.gz BTNZEGZLWFOGOF-WGLZUUKSSA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@@H]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[NH2+]1 ZINC001246314276 794674382 /nfs/dbraw/zinc/67/43/82/794674382.db2.gz IPGIQJALPGNFHY-IJKURQBASA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@@H]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[NH2+]1 ZINC001246314278 794673729 /nfs/dbraw/zinc/67/37/29/794673729.db2.gz IPGIQJALPGNFHY-NBOSWCJFSA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@H]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[NH2+]1 ZINC001246314279 794673922 /nfs/dbraw/zinc/67/39/22/794673922.db2.gz IPGIQJALPGNFHY-STSKEMDZSA-N 2 1 339.396 -1.792 20 0 EAADMP C[C@H]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C[NH2+]1 ZINC001246314281 794673545 /nfs/dbraw/zinc/67/35/45/794673545.db2.gz IPGIQJALPGNFHY-WGLZUUKSSA-N 2 1 339.396 -1.792 20 0 EAADMP [NH3+][C@H]1[C@H](n2ccc(NC3CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246316070 794673605 /nfs/dbraw/zinc/67/36/05/794673605.db2.gz PIUIMUASGNUKOQ-OJAKKHQRSA-N 2 1 325.369 -2.181 20 0 EAADMP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2CC[NH2+]CC2)[C@H]1O ZINC001246493731 794675546 /nfs/dbraw/zinc/67/55/46/794675546.db2.gz SYOHLEQSXZNBOS-NDLNZWKESA-N 2 1 349.395 -1.631 20 0 EAADMP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626540 794675171 /nfs/dbraw/zinc/67/51/71/794675171.db2.gz GTKHDJBNPVKTBQ-IPYPFGDCSA-N 3 1 325.482 -1.113 20 0 EAADMP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626547 794674767 /nfs/dbraw/zinc/67/47/67/794674767.db2.gz GTKHDJBNPVKTBQ-KCQAQPDRSA-N 3 1 325.482 -1.113 20 0 EAADMP O=C([C@@H]1C[C@@H](N2CC[NH2+]C[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626548 794675706 /nfs/dbraw/zinc/67/57/06/794675706.db2.gz GTKHDJBNPVKTBQ-VNHYZAJKSA-N 3 1 325.482 -1.113 20 0 EAADMP O=C([C@@H]1C[C@H](N2CC[NH2+]C[C@@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246626549 794675879 /nfs/dbraw/zinc/67/58/79/794675879.db2.gz GTKHDJBNPVKTBQ-YDHLFZDLSA-N 3 1 325.482 -1.113 20 0 EAADMP CN(C)C(=O)CO[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12 ZINC001246690990 794676396 /nfs/dbraw/zinc/67/63/96/794676396.db2.gz CASXIVSJGWMILK-BYNSBNAKSA-N 2 1 338.452 -1.116 20 0 EAADMP CN(C)C(=O)CO[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12 ZINC001246691000 794676570 /nfs/dbraw/zinc/67/65/70/794676570.db2.gz CASXIVSJGWMILK-LXTVHRRPSA-N 2 1 338.452 -1.116 20 0 EAADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246744419 794676345 /nfs/dbraw/zinc/67/63/45/794676345.db2.gz ASGKDIWHFIVVES-IHRRRGAJSA-N 2 1 335.452 -1.156 20 0 EAADMP CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246744421 794676457 /nfs/dbraw/zinc/67/64/57/794676457.db2.gz ASGKDIWHFIVVES-RDBSUJKOSA-N 2 1 335.452 -1.156 20 0 EAADMP CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2C(=O)N(C)C ZINC001246988284 794676936 /nfs/dbraw/zinc/67/69/36/794676936.db2.gz ITLQLIQUMDLPRF-CABCVRRESA-N 2 1 349.479 -1.051 20 0 EAADMP CC(=O)N1CC2(C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@H]2C(=O)N(C)C ZINC001246988287 794677985 /nfs/dbraw/zinc/67/79/85/794677985.db2.gz ITLQLIQUMDLPRF-GJZGRUSLSA-N 2 1 349.479 -1.051 20 0 EAADMP CC(=O)N1CC2(C1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2C(=O)N(C)C ZINC001246988289 794677643 /nfs/dbraw/zinc/67/76/43/794677643.db2.gz ITLQLIQUMDLPRF-HUUCEWRRSA-N 2 1 349.479 -1.051 20 0 EAADMP CC(=O)N1CC2(C1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C[C@@H]2C(=O)N(C)C ZINC001246988293 794677766 /nfs/dbraw/zinc/67/77/66/794677766.db2.gz ITLQLIQUMDLPRF-LSDHHAIUSA-N 2 1 349.479 -1.051 20 0 EAADMP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CN2CCOCC2)CCC1=O ZINC001251021707 794682494 /nfs/dbraw/zinc/68/24/94/794682494.db2.gz TWVLNDLXPNRFPZ-HNNXBMFYSA-N 2 1 328.457 -1.225 20 0 EAADMP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CN2CCOCC2)CCC1=O ZINC001251021708 794681382 /nfs/dbraw/zinc/68/13/82/794681382.db2.gz TWVLNDLXPNRFPZ-OAHLLOKOSA-N 2 1 328.457 -1.225 20 0 EAADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001251024646 794682149 /nfs/dbraw/zinc/68/21/49/794682149.db2.gz QVXDRDAYMCDZKS-CABCVRRESA-N 2 1 328.457 -1.178 20 0 EAADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC001251024646 794682147 /nfs/dbraw/zinc/68/21/47/794682147.db2.gz QVXDRDAYMCDZKS-CABCVRRESA-N 2 1 328.457 -1.178 20 0 EAADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001251024647 794682023 /nfs/dbraw/zinc/68/20/23/794682023.db2.gz QVXDRDAYMCDZKS-HUUCEWRRSA-N 2 1 328.457 -1.178 20 0 EAADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC001251024647 794682016 /nfs/dbraw/zinc/68/20/16/794682016.db2.gz QVXDRDAYMCDZKS-HUUCEWRRSA-N 2 1 328.457 -1.178 20 0 EAADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001252059291 794687746 /nfs/dbraw/zinc/68/77/46/794687746.db2.gz ULIAGAVOVWQARY-AWEZNQCLSA-N 2 1 329.441 -1.158 20 0 EAADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H](O)CO)CC2)C1 ZINC001252059291 794687743 /nfs/dbraw/zinc/68/77/43/794687743.db2.gz ULIAGAVOVWQARY-AWEZNQCLSA-N 2 1 329.441 -1.158 20 0 EAADMP COC(=O)[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414980 794688299 /nfs/dbraw/zinc/68/82/99/794688299.db2.gz NTFVOQTWTKHZPN-HZSPNIEDSA-N 2 1 343.424 -1.369 20 0 EAADMP COC(=O)[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414980 794688293 /nfs/dbraw/zinc/68/82/93/794688293.db2.gz NTFVOQTWTKHZPN-HZSPNIEDSA-N 2 1 343.424 -1.369 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414980 794688289 /nfs/dbraw/zinc/68/82/89/794688289.db2.gz NTFVOQTWTKHZPN-HZSPNIEDSA-N 2 1 343.424 -1.369 20 0 EAADMP COC(=O)[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414983 794689359 /nfs/dbraw/zinc/68/93/59/794689359.db2.gz NTFVOQTWTKHZPN-MGPQQGTHSA-N 2 1 343.424 -1.369 20 0 EAADMP COC(=O)[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414983 794689356 /nfs/dbraw/zinc/68/93/56/794689356.db2.gz NTFVOQTWTKHZPN-MGPQQGTHSA-N 2 1 343.424 -1.369 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252414983 794689352 /nfs/dbraw/zinc/68/93/52/794689352.db2.gz NTFVOQTWTKHZPN-MGPQQGTHSA-N 2 1 343.424 -1.369 20 0 EAADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253208956 794693318 /nfs/dbraw/zinc/69/33/18/794693318.db2.gz VKOFXLWOAASPCN-AWEZNQCLSA-N 2 1 336.502 -1.144 20 0 EAADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253208967 794692880 /nfs/dbraw/zinc/69/28/80/794692880.db2.gz VKOFXLWOAASPCN-CQSZACIVSA-N 2 1 336.502 -1.144 20 0 EAADMP CC[NH+](CC)C[C@@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253217561 794692615 /nfs/dbraw/zinc/69/26/15/794692615.db2.gz YVVZLOVZOVFCJO-JRULLXGZSA-N 2 1 336.429 -1.877 20 0 EAADMP CC[NH+](CC)C[C@H](O)C[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001253217562 794692929 /nfs/dbraw/zinc/69/29/29/794692929.db2.gz YVVZLOVZOVFCJO-RUDNTAQLSA-N 2 1 336.429 -1.877 20 0 EAADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC001253406451 794693340 /nfs/dbraw/zinc/69/33/40/794693340.db2.gz LGPCBZIGKIEYCU-ZDUSSCGKSA-N 2 1 336.502 -1.098 20 0 EAADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254509137 794711967 /nfs/dbraw/zinc/71/19/67/794711967.db2.gz XBEWOCBZEHEYNI-GFCCVEGCSA-N 2 1 328.413 -1.144 20 0 EAADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254509137 794711961 /nfs/dbraw/zinc/71/19/61/794711961.db2.gz XBEWOCBZEHEYNI-GFCCVEGCSA-N 2 1 328.413 -1.144 20 0 EAADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254509138 794711619 /nfs/dbraw/zinc/71/16/19/794711619.db2.gz XBEWOCBZEHEYNI-LBPRGKRZSA-N 2 1 328.413 -1.144 20 0 EAADMP CCOC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254509138 794711613 /nfs/dbraw/zinc/71/16/13/794711613.db2.gz XBEWOCBZEHEYNI-LBPRGKRZSA-N 2 1 328.413 -1.144 20 0 EAADMP C[N@H+]1CCC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001254514328 794712043 /nfs/dbraw/zinc/71/20/43/794712043.db2.gz KNOHGRGEDQXFKY-OLZOCXBDSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+]1CCC[C@@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001254514328 794712035 /nfs/dbraw/zinc/71/20/35/794712035.db2.gz KNOHGRGEDQXFKY-OLZOCXBDSA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@H+]1CCC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001254514337 794712225 /nfs/dbraw/zinc/71/22/25/794712225.db2.gz KNOHGRGEDQXFKY-STQMWFEESA-N 2 1 339.440 -1.347 20 0 EAADMP C[N@@H+]1CCC[C@H]([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001254514337 794712221 /nfs/dbraw/zinc/71/22/21/794712221.db2.gz KNOHGRGEDQXFKY-STQMWFEESA-N 2 1 339.440 -1.347 20 0 EAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC001254876927 794720555 /nfs/dbraw/zinc/72/05/55/794720555.db2.gz NWCTWMBWLVTXSD-HNNXBMFYSA-N 2 1 338.412 -1.434 20 0 EAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC001254876928 794719842 /nfs/dbraw/zinc/71/98/42/794719842.db2.gz NWCTWMBWLVTXSD-OAHLLOKOSA-N 2 1 338.412 -1.434 20 0 EAADMP C[N@H+]1CC[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255421378 794729763 /nfs/dbraw/zinc/72/97/63/794729763.db2.gz IVLYTZJLYCWKRW-LMLFDSFASA-N 2 1 349.395 -1.341 20 0 EAADMP C[N@H+]1CC[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C1 ZINC001255421379 794730262 /nfs/dbraw/zinc/73/02/62/794730262.db2.gz IVLYTZJLYCWKRW-UKKRHICBSA-N 2 1 349.395 -1.341 20 0 EAADMP C[N@H+]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255423991 794729845 /nfs/dbraw/zinc/72/98/45/794729845.db2.gz PPZMUDLAXDQAGS-CSBRLYRZSA-N 2 1 325.369 -2.229 20 0 EAADMP C[N@@H+]1CC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255423991 794729841 /nfs/dbraw/zinc/72/98/41/794729841.db2.gz PPZMUDLAXDQAGS-CSBRLYRZSA-N 2 1 325.369 -2.229 20 0 EAADMP C[N@H+]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255423992 794730184 /nfs/dbraw/zinc/73/01/84/794730184.db2.gz PPZMUDLAXDQAGS-IINAIABHSA-N 2 1 325.369 -2.229 20 0 EAADMP C[N@@H+]1CC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255423992 794730176 /nfs/dbraw/zinc/73/01/76/794730176.db2.gz PPZMUDLAXDQAGS-IINAIABHSA-N 2 1 325.369 -2.229 20 0 EAADMP C[N@H+]1CCC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255473131 794730568 /nfs/dbraw/zinc/73/05/68/794730568.db2.gz PORWJKAJUOMPRL-NRFQWKTPSA-N 2 1 339.396 -1.839 20 0 EAADMP C[N@@H+]1CCC[C@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255473131 794730564 /nfs/dbraw/zinc/73/05/64/794730564.db2.gz PORWJKAJUOMPRL-NRFQWKTPSA-N 2 1 339.396 -1.839 20 0 EAADMP C[N@H+]1CCC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255473132 794729942 /nfs/dbraw/zinc/72/99/42/794729942.db2.gz PORWJKAJUOMPRL-OMRXRXQOSA-N 2 1 339.396 -1.839 20 0 EAADMP C[N@@H+]1CCC[C@@H](Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)C1 ZINC001255473132 794729935 /nfs/dbraw/zinc/72/99/35/794729935.db2.gz PORWJKAJUOMPRL-OMRXRXQOSA-N 2 1 339.396 -1.839 20 0 EAADMP C[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001256199764 794739057 /nfs/dbraw/zinc/73/90/57/794739057.db2.gz HJUVZNMCQSFMFM-FMKGYKFTSA-N 2 1 339.396 -1.839 20 0 EAADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(S(C)(=O)=O)CC1 ZINC001257224527 794744227 /nfs/dbraw/zinc/74/42/27/794744227.db2.gz LJDOVWCQSXBRJP-NSHDSACASA-N 2 1 349.457 -1.195 20 0 EAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC001261632459 794791030 /nfs/dbraw/zinc/79/10/30/794791030.db2.gz BRHYPFCXTUSMAH-SECBINFHSA-N 2 1 334.380 -1.390 20 0 EAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC001261632460 794790988 /nfs/dbraw/zinc/79/09/88/794790988.db2.gz BRHYPFCXTUSMAH-VIFPVBQESA-N 2 1 334.380 -1.390 20 0 EAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001261633100 794790717 /nfs/dbraw/zinc/79/07/17/794790717.db2.gz WNWAGMDBDPVFJU-VXGBXAGGSA-N 2 1 343.403 -1.789 20 0 EAADMP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261633148 794791115 /nfs/dbraw/zinc/79/11/15/794791115.db2.gz XOWDQJKVKACYAH-AWEZNQCLSA-N 2 1 341.456 -1.684 20 0 EAADMP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001261633149 794791419 /nfs/dbraw/zinc/79/14/19/794791419.db2.gz XOWDQJKVKACYAH-CQSZACIVSA-N 2 1 341.456 -1.684 20 0 EAADMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001261818684 794800037 /nfs/dbraw/zinc/80/00/37/794800037.db2.gz FJVIYMCSOXEPJX-LLVKDONJSA-N 2 1 327.429 -1.539 20 0 EAADMP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001261818685 794800112 /nfs/dbraw/zinc/80/01/12/794800112.db2.gz FJVIYMCSOXEPJX-NSHDSACASA-N 2 1 327.429 -1.539 20 0 EAADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC001261828899 794802258 /nfs/dbraw/zinc/80/22/58/794802258.db2.gz XYWCCWAEHKJFST-ZDUSSCGKSA-N 2 1 338.412 -1.434 20 0 EAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001262033957 794807131 /nfs/dbraw/zinc/80/71/31/794807131.db2.gz NPJMAUYPDLWQKY-LBPRGKRZSA-N 2 1 341.456 -1.053 20 0 EAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063902 794808899 /nfs/dbraw/zinc/80/88/99/794808899.db2.gz MHRAVVOZIQLYDR-IPYPFGDCSA-N 2 1 335.452 -1.156 20 0 EAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063902 794808895 /nfs/dbraw/zinc/80/88/95/794808895.db2.gz MHRAVVOZIQLYDR-IPYPFGDCSA-N 2 1 335.452 -1.156 20 0 EAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063903 794808057 /nfs/dbraw/zinc/80/80/57/794808057.db2.gz MHRAVVOZIQLYDR-YDHLFZDLSA-N 2 1 335.452 -1.156 20 0 EAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)CC1 ZINC001262063903 794808049 /nfs/dbraw/zinc/80/80/49/794808049.db2.gz MHRAVVOZIQLYDR-YDHLFZDLSA-N 2 1 335.452 -1.156 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262063968 794808841 /nfs/dbraw/zinc/80/88/41/794808841.db2.gz NVULJKJSHKSXTB-LXTVHRRPSA-N 2 1 337.468 -1.005 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001262063969 794808416 /nfs/dbraw/zinc/80/84/16/794808416.db2.gz NVULJKJSHKSXTB-XGUBFFRZSA-N 2 1 337.468 -1.005 20 0 EAADMP CN(CCCNC(=O)CN1CC[NH2+]CC[NH2+]CC1)S(C)(=O)=O ZINC001262195182 794810188 /nfs/dbraw/zinc/81/01/88/794810188.db2.gz RGTKKBPRFHKOFS-UHFFFAOYSA-N 2 1 335.474 -2.121 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001262543771 794817144 /nfs/dbraw/zinc/81/71/44/794817144.db2.gz KSSKZLNZZOIFSX-CYBMUJFWSA-N 2 1 330.429 -1.482 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC001262543772 794816973 /nfs/dbraw/zinc/81/69/73/794816973.db2.gz KSSKZLNZZOIFSX-ZDUSSCGKSA-N 2 1 330.429 -1.482 20 0 EAADMP C[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC001262546111 794816269 /nfs/dbraw/zinc/81/62/69/794816269.db2.gz PSMVAUIBFBOQOS-IHRRRGAJSA-N 2 1 325.457 -1.160 20 0 EAADMP C[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)CN1CC[NH+](C)CC1 ZINC001262546112 794816706 /nfs/dbraw/zinc/81/67/06/794816706.db2.gz PSMVAUIBFBOQOS-MGPQQGTHSA-N 2 1 325.457 -1.160 20 0 EAADMP COCCC[N@@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263101864 794817475 /nfs/dbraw/zinc/81/74/75/794817475.db2.gz FHDMZSRLYPYBIS-JSGCOSHPSA-N 2 1 333.454 -1.295 20 0 EAADMP COCCC[N@H+](C)CCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001263101864 794817468 /nfs/dbraw/zinc/81/74/68/794817468.db2.gz FHDMZSRLYPYBIS-JSGCOSHPSA-N 2 1 333.454 -1.295 20 0 EAADMP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC[NH2+]CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001263202509 794817983 /nfs/dbraw/zinc/81/79/83/794817983.db2.gz BNHVBYJNGBRXHY-OSLXHZNNSA-N 3 1 347.463 -1.537 20 0 EAADMP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001263305565 794818922 /nfs/dbraw/zinc/81/89/22/794818922.db2.gz AKPCKAYEAHVKHT-BFHYXJOUSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305566 794818504 /nfs/dbraw/zinc/81/85/04/794818504.db2.gz AKPCKAYEAHVKHT-IHRRRGAJSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@H](NC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1C[N@@H+](C)CCN1C ZINC001263305567 794818431 /nfs/dbraw/zinc/81/84/31/794818431.db2.gz AKPCKAYEAHVKHT-MELADBBJSA-N 2 1 325.457 -1.066 20 0 EAADMP C[C@H](NC(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001263305568 794819180 /nfs/dbraw/zinc/81/91/80/794819180.db2.gz AKPCKAYEAHVKHT-MJBXVCDLSA-N 2 1 325.457 -1.066 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001263829757 794822172 /nfs/dbraw/zinc/82/21/72/794822172.db2.gz YWRYFFATEPDFJC-FRRDWIJNSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001263829757 794822164 /nfs/dbraw/zinc/82/21/64/794822164.db2.gz YWRYFFATEPDFJC-FRRDWIJNSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001263829758 794822086 /nfs/dbraw/zinc/82/20/86/794822086.db2.gz YWRYFFATEPDFJC-XQQFMLRXSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001263829758 794822083 /nfs/dbraw/zinc/82/20/83/794822083.db2.gz YWRYFFATEPDFJC-XQQFMLRXSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264410866 794833437 /nfs/dbraw/zinc/83/34/37/794833437.db2.gz XRUNNPKKOSOAKR-RWMBFGLXSA-N 2 1 332.470 -1.028 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001264410867 794833477 /nfs/dbraw/zinc/83/34/77/794833477.db2.gz XRUNNPKKOSOAKR-UPJWGTAASA-N 2 1 332.470 -1.028 20 0 EAADMP CN(CCOCC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001264666501 794838344 /nfs/dbraw/zinc/83/83/44/794838344.db2.gz SZRMELMQXCJQEU-GFCCVEGCSA-N 2 1 343.428 -1.318 20 0 EAADMP CN(CCOCC[NH+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001264666501 794838340 /nfs/dbraw/zinc/83/83/40/794838340.db2.gz SZRMELMQXCJQEU-GFCCVEGCSA-N 2 1 343.428 -1.318 20 0 EAADMP CN(CCOCC[N@@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001264666501 794838336 /nfs/dbraw/zinc/83/83/36/794838336.db2.gz SZRMELMQXCJQEU-GFCCVEGCSA-N 2 1 343.428 -1.318 20 0 EAADMP CN(CCOCC[N@H+](C)CC(=O)NC(N)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001264666501 794838330 /nfs/dbraw/zinc/83/83/30/794838330.db2.gz SZRMELMQXCJQEU-GFCCVEGCSA-N 2 1 343.428 -1.318 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973856 794840836 /nfs/dbraw/zinc/84/08/36/794840836.db2.gz KEYIIEDWQROVJZ-NEPJUHHUSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973856 794840833 /nfs/dbraw/zinc/84/08/33/794840833.db2.gz KEYIIEDWQROVJZ-NEPJUHHUSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973856 794840827 /nfs/dbraw/zinc/84/08/27/794840827.db2.gz KEYIIEDWQROVJZ-NEPJUHHUSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973856 794840822 /nfs/dbraw/zinc/84/08/22/794840822.db2.gz KEYIIEDWQROVJZ-NEPJUHHUSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973857 794840531 /nfs/dbraw/zinc/84/05/31/794840531.db2.gz KEYIIEDWQROVJZ-NWDGAFQWSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973857 794840528 /nfs/dbraw/zinc/84/05/28/794840528.db2.gz KEYIIEDWQROVJZ-NWDGAFQWSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973857 794840526 /nfs/dbraw/zinc/84/05/26/794840526.db2.gz KEYIIEDWQROVJZ-NWDGAFQWSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973857 794840523 /nfs/dbraw/zinc/84/05/23/794840523.db2.gz KEYIIEDWQROVJZ-NWDGAFQWSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264973858 794839701 /nfs/dbraw/zinc/83/97/01/794839701.db2.gz KEYIIEDWQROVJZ-RYUDHWBXSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264973858 794839696 /nfs/dbraw/zinc/83/96/96/794839696.db2.gz KEYIIEDWQROVJZ-RYUDHWBXSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973858 794839692 /nfs/dbraw/zinc/83/96/92/794839692.db2.gz KEYIIEDWQROVJZ-RYUDHWBXSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264973858 794839684 /nfs/dbraw/zinc/83/96/84/794839684.db2.gz KEYIIEDWQROVJZ-RYUDHWBXSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264973859 794840327 /nfs/dbraw/zinc/84/03/27/794840327.db2.gz KEYIIEDWQROVJZ-VXGBXAGGSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264973859 794840322 /nfs/dbraw/zinc/84/03/22/794840322.db2.gz KEYIIEDWQROVJZ-VXGBXAGGSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973859 794840318 /nfs/dbraw/zinc/84/03/18/794840318.db2.gz KEYIIEDWQROVJZ-VXGBXAGGSA-N 2 1 343.428 -1.401 20 0 EAADMP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001264973859 794840313 /nfs/dbraw/zinc/84/03/13/794840313.db2.gz KEYIIEDWQROVJZ-VXGBXAGGSA-N 2 1 343.428 -1.401 20 0 EAADMP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCNC(=O)C1 ZINC001265068878 794845009 /nfs/dbraw/zinc/84/50/09/794845009.db2.gz UUPDDKRBKKTBOO-UHFFFAOYSA-N 2 1 339.440 -1.521 20 0 EAADMP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)N1CCNC(=O)C1 ZINC001265068878 794845005 /nfs/dbraw/zinc/84/50/05/794845005.db2.gz UUPDDKRBKKTBOO-UHFFFAOYSA-N 2 1 339.440 -1.521 20 0 EAADMP CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106166 794844581 /nfs/dbraw/zinc/84/45/81/794844581.db2.gz GUDHUGBZZBBHQY-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106166 794844577 /nfs/dbraw/zinc/84/45/77/794844577.db2.gz GUDHUGBZZBBHQY-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106166 794844573 /nfs/dbraw/zinc/84/45/73/794844573.db2.gz GUDHUGBZZBBHQY-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106166 794844568 /nfs/dbraw/zinc/84/45/68/794844568.db2.gz GUDHUGBZZBBHQY-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106167 794844103 /nfs/dbraw/zinc/84/41/03/794844103.db2.gz GUDHUGBZZBBHQY-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106167 794844100 /nfs/dbraw/zinc/84/41/00/794844100.db2.gz GUDHUGBZZBBHQY-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106167 794844098 /nfs/dbraw/zinc/84/40/98/794844098.db2.gz GUDHUGBZZBBHQY-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC(=O)NC1=O ZINC001265106167 794844093 /nfs/dbraw/zinc/84/40/93/794844093.db2.gz GUDHUGBZZBBHQY-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106168 794843272 /nfs/dbraw/zinc/84/32/72/794843272.db2.gz GUDHUGBZZBBHQY-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106168 794843267 /nfs/dbraw/zinc/84/32/67/794843267.db2.gz GUDHUGBZZBBHQY-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106168 794843257 /nfs/dbraw/zinc/84/32/57/794843257.db2.gz GUDHUGBZZBBHQY-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106168 794843254 /nfs/dbraw/zinc/84/32/54/794843254.db2.gz GUDHUGBZZBBHQY-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106169 794845040 /nfs/dbraw/zinc/84/50/40/794845040.db2.gz GUDHUGBZZBBHQY-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106169 794845038 /nfs/dbraw/zinc/84/50/38/794845038.db2.gz GUDHUGBZZBBHQY-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106169 794845031 /nfs/dbraw/zinc/84/50/31/794845031.db2.gz GUDHUGBZZBBHQY-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC(=O)NC1=O ZINC001265106169 794845027 /nfs/dbraw/zinc/84/50/27/794845027.db2.gz GUDHUGBZZBBHQY-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265424596 794862684 /nfs/dbraw/zinc/86/26/84/794862684.db2.gz WGZXXWDRXKTDMJ-QWHCGFSZSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265424596 794862683 /nfs/dbraw/zinc/86/26/83/794862683.db2.gz WGZXXWDRXKTDMJ-QWHCGFSZSA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265424601 794862447 /nfs/dbraw/zinc/86/24/47/794862447.db2.gz WGZXXWDRXKTDMJ-STQMWFEESA-N 2 1 333.454 -1.058 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265424601 794862440 /nfs/dbraw/zinc/86/24/40/794862440.db2.gz WGZXXWDRXKTDMJ-STQMWFEESA-N 2 1 333.454 -1.058 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265472002 794863898 /nfs/dbraw/zinc/86/38/98/794863898.db2.gz DOIHJHVVDKTPSK-AVGNSLFASA-N 2 1 348.469 -1.507 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265472002 794863896 /nfs/dbraw/zinc/86/38/96/794863896.db2.gz DOIHJHVVDKTPSK-AVGNSLFASA-N 2 1 348.469 -1.507 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265472003 794863905 /nfs/dbraw/zinc/86/39/05/794863905.db2.gz DOIHJHVVDKTPSK-JHJVBQTASA-N 2 1 348.469 -1.507 20 0 EAADMP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265472003 794863904 /nfs/dbraw/zinc/86/39/04/794863904.db2.gz DOIHJHVVDKTPSK-JHJVBQTASA-N 2 1 348.469 -1.507 20 0 EAADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265570291 794867676 /nfs/dbraw/zinc/86/76/76/794867676.db2.gz XWPJICJWUXVSOS-TXEJJXNPSA-N 2 1 329.426 -1.022 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001265883539 794878171 /nfs/dbraw/zinc/87/81/71/794878171.db2.gz MPUFUXQGLKYWOV-CYBMUJFWSA-N 2 1 341.456 -1.244 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC001265883540 794878099 /nfs/dbraw/zinc/87/80/99/794878099.db2.gz MPUFUXQGLKYWOV-ZDUSSCGKSA-N 2 1 341.456 -1.244 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001265978415 794884027 /nfs/dbraw/zinc/88/40/27/794884027.db2.gz MFSMNSBOZDUBLK-UHFFFAOYSA-N 2 1 341.456 -1.277 20 0 EAADMP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001265978415 794884021 /nfs/dbraw/zinc/88/40/21/794884021.db2.gz MFSMNSBOZDUBLK-UHFFFAOYSA-N 2 1 341.456 -1.277 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)CC(=O)N1CCNC(=O)C1 ZINC001265978415 794884014 /nfs/dbraw/zinc/88/40/14/794884014.db2.gz MFSMNSBOZDUBLK-UHFFFAOYSA-N 2 1 341.456 -1.277 20 0 EAADMP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC(=O)N1CCNC(=O)C1 ZINC001265978415 794884010 /nfs/dbraw/zinc/88/40/10/794884010.db2.gz MFSMNSBOZDUBLK-UHFFFAOYSA-N 2 1 341.456 -1.277 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001266277339 785074816 /nfs/dbraw/zinc/07/48/16/785074816.db2.gz WUCQHOPDQXRRSQ-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1C ZINC001266277339 785074807 /nfs/dbraw/zinc/07/48/07/785074807.db2.gz WUCQHOPDQXRRSQ-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001266277339 785074796 /nfs/dbraw/zinc/07/47/96/785074796.db2.gz WUCQHOPDQXRRSQ-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCOCCO)CC1 ZINC001266289883 785081106 /nfs/dbraw/zinc/08/11/06/785081106.db2.gz GGDYCMZVPXFOGZ-OAHLLOKOSA-N 2 1 328.457 -1.177 20 0 EAADMP C[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](CCOCCO)CC1 ZINC001266289883 785081099 /nfs/dbraw/zinc/08/10/99/785081099.db2.gz GGDYCMZVPXFOGZ-OAHLLOKOSA-N 2 1 328.457 -1.177 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001266585163 785128361 /nfs/dbraw/zinc/12/83/61/785128361.db2.gz UVIHBJBJGVJANC-IJLUTSLNSA-N 2 1 334.442 -1.897 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001266585163 785128357 /nfs/dbraw/zinc/12/83/57/785128357.db2.gz UVIHBJBJGVJANC-IJLUTSLNSA-N 2 1 334.442 -1.897 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001266585164 785127713 /nfs/dbraw/zinc/12/77/13/785127713.db2.gz UVIHBJBJGVJANC-SRVKXCTJSA-N 2 1 334.442 -1.897 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001266585164 785127709 /nfs/dbraw/zinc/12/77/09/785127709.db2.gz UVIHBJBJGVJANC-SRVKXCTJSA-N 2 1 334.442 -1.897 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001266660851 785140840 /nfs/dbraw/zinc/14/08/40/785140840.db2.gz UWMGPVWVIDXLHY-CHWSQXEVSA-N 2 1 341.456 -1.279 20 0 EAADMP C[C@@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001266660852 785140932 /nfs/dbraw/zinc/14/09/32/785140932.db2.gz UWMGPVWVIDXLHY-OLZOCXBDSA-N 2 1 341.456 -1.279 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001266660853 785141349 /nfs/dbraw/zinc/14/13/49/785141349.db2.gz UWMGPVWVIDXLHY-QWHCGFSZSA-N 2 1 341.456 -1.279 20 0 EAADMP C[C@H](NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(=O)N(C)C ZINC001266660854 785141044 /nfs/dbraw/zinc/14/10/44/785141044.db2.gz UWMGPVWVIDXLHY-STQMWFEESA-N 2 1 341.456 -1.279 20 0 EAADMP CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266660898 785141122 /nfs/dbraw/zinc/14/11/22/785141122.db2.gz WCICDPOVDQKPTQ-CYBMUJFWSA-N 2 1 337.424 -1.274 20 0 EAADMP CN(CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001266660899 785140676 /nfs/dbraw/zinc/14/06/76/785140676.db2.gz WCICDPOVDQKPTQ-ZDUSSCGKSA-N 2 1 337.424 -1.274 20 0 EAADMP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666857 785142896 /nfs/dbraw/zinc/14/28/96/785142896.db2.gz GVXHSJCDVYIRJG-CYBMUJFWSA-N 2 1 328.413 -1.776 20 0 EAADMP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666858 785142556 /nfs/dbraw/zinc/14/25/56/785142556.db2.gz GVXHSJCDVYIRJG-ZDUSSCGKSA-N 2 1 328.413 -1.776 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266666891 785142443 /nfs/dbraw/zinc/14/24/43/785142443.db2.gz HSHWZDUYPFPVLH-GFCCVEGCSA-N 2 1 343.428 -1.399 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266666891 785142440 /nfs/dbraw/zinc/14/24/40/785142440.db2.gz HSHWZDUYPFPVLH-GFCCVEGCSA-N 2 1 343.428 -1.399 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266666892 785142660 /nfs/dbraw/zinc/14/26/60/785142660.db2.gz HSHWZDUYPFPVLH-LBPRGKRZSA-N 2 1 343.428 -1.399 20 0 EAADMP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266666892 785142657 /nfs/dbraw/zinc/14/26/57/785142657.db2.gz HSHWZDUYPFPVLH-LBPRGKRZSA-N 2 1 343.428 -1.399 20 0 EAADMP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001266898068 785167979 /nfs/dbraw/zinc/16/79/79/785167979.db2.gz YMSWHIGUMFAMIZ-GFCCVEGCSA-N 2 1 326.397 -1.438 20 0 EAADMP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001266898165 785167733 /nfs/dbraw/zinc/16/77/33/785167733.db2.gz YMSWHIGUMFAMIZ-LBPRGKRZSA-N 2 1 326.397 -1.438 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930732 785169334 /nfs/dbraw/zinc/16/93/34/785169334.db2.gz ZXFINNXBFLYHAO-NEPJUHHUSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930732 785169330 /nfs/dbraw/zinc/16/93/30/785169330.db2.gz ZXFINNXBFLYHAO-NEPJUHHUSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930733 785169068 /nfs/dbraw/zinc/16/90/68/785169068.db2.gz ZXFINNXBFLYHAO-NWDGAFQWSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930733 785169064 /nfs/dbraw/zinc/16/90/64/785169064.db2.gz ZXFINNXBFLYHAO-NWDGAFQWSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930734 785169856 /nfs/dbraw/zinc/16/98/56/785169856.db2.gz ZXFINNXBFLYHAO-RYUDHWBXSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930734 785169851 /nfs/dbraw/zinc/16/98/51/785169851.db2.gz ZXFINNXBFLYHAO-RYUDHWBXSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930735 785169638 /nfs/dbraw/zinc/16/96/38/785169638.db2.gz ZXFINNXBFLYHAO-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCCN1C(=O)CNC1=O ZINC001266930735 785169633 /nfs/dbraw/zinc/16/96/33/785169633.db2.gz ZXFINNXBFLYHAO-VXGBXAGGSA-N 2 1 341.412 -1.647 20 0 EAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970815 785174642 /nfs/dbraw/zinc/17/46/42/785174642.db2.gz HHWDPPAIGNBFSJ-NEPJUHHUSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970816 785174615 /nfs/dbraw/zinc/17/46/15/785174615.db2.gz HHWDPPAIGNBFSJ-NWDGAFQWSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970817 785174288 /nfs/dbraw/zinc/17/42/88/785174288.db2.gz HHWDPPAIGNBFSJ-RYUDHWBXSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001266970818 785174440 /nfs/dbraw/zinc/17/44/40/785174440.db2.gz HHWDPPAIGNBFSJ-VXGBXAGGSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001266978392 785174342 /nfs/dbraw/zinc/17/43/42/785174342.db2.gz MUWZISNHOYXMRA-CYBMUJFWSA-N 2 1 340.424 -1.048 20 0 EAADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001266978393 785174095 /nfs/dbraw/zinc/17/40/95/785174095.db2.gz MUWZISNHOYXMRA-ZDUSSCGKSA-N 2 1 340.424 -1.048 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189427 785203208 /nfs/dbraw/zinc/20/32/08/785203208.db2.gz VREKTZJIWPTLRY-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189427 785203204 /nfs/dbraw/zinc/20/32/04/785203204.db2.gz VREKTZJIWPTLRY-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189427 785203199 /nfs/dbraw/zinc/20/31/99/785203199.db2.gz VREKTZJIWPTLRY-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189431 785202114 /nfs/dbraw/zinc/20/21/14/785202114.db2.gz VREKTZJIWPTLRY-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189431 785202107 /nfs/dbraw/zinc/20/21/07/785202107.db2.gz VREKTZJIWPTLRY-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267189431 785202103 /nfs/dbraw/zinc/20/21/03/785202103.db2.gz VREKTZJIWPTLRY-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189432 785202758 /nfs/dbraw/zinc/20/27/58/785202758.db2.gz VREKTZJIWPTLRY-QWHCGFSZSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189432 785202752 /nfs/dbraw/zinc/20/27/52/785202752.db2.gz VREKTZJIWPTLRY-QWHCGFSZSA-N 2 1 340.424 -1.362 20 0 EAADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189432 785202745 /nfs/dbraw/zinc/20/27/45/785202745.db2.gz VREKTZJIWPTLRY-QWHCGFSZSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189433 785202534 /nfs/dbraw/zinc/20/25/34/785202534.db2.gz VREKTZJIWPTLRY-STQMWFEESA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189433 785202530 /nfs/dbraw/zinc/20/25/30/785202530.db2.gz VREKTZJIWPTLRY-STQMWFEESA-N 2 1 340.424 -1.362 20 0 EAADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@H](O)CN1C(=O)CCC1=O ZINC001267189433 785202521 /nfs/dbraw/zinc/20/25/21/785202521.db2.gz VREKTZJIWPTLRY-STQMWFEESA-N 2 1 340.424 -1.362 20 0 EAADMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCN1C(=O)CNC1=O ZINC001267215579 785206941 /nfs/dbraw/zinc/20/69/41/785206941.db2.gz MIKMULPSXJNUQE-UHFFFAOYSA-N 2 1 325.413 -1.072 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230250 785208118 /nfs/dbraw/zinc/20/81/18/785208118.db2.gz JQGAMSMCVHCOSX-CHWSQXEVSA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230250 785208111 /nfs/dbraw/zinc/20/81/11/785208111.db2.gz JQGAMSMCVHCOSX-CHWSQXEVSA-N 2 1 340.424 -1.504 20 0 EAADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230250 785208101 /nfs/dbraw/zinc/20/81/01/785208101.db2.gz JQGAMSMCVHCOSX-CHWSQXEVSA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230251 785208754 /nfs/dbraw/zinc/20/87/54/785208754.db2.gz JQGAMSMCVHCOSX-OLZOCXBDSA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230251 785208750 /nfs/dbraw/zinc/20/87/50/785208750.db2.gz JQGAMSMCVHCOSX-OLZOCXBDSA-N 2 1 340.424 -1.504 20 0 EAADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230251 785208744 /nfs/dbraw/zinc/20/87/44/785208744.db2.gz JQGAMSMCVHCOSX-OLZOCXBDSA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230252 785208400 /nfs/dbraw/zinc/20/84/00/785208400.db2.gz JQGAMSMCVHCOSX-QWHCGFSZSA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230252 785208390 /nfs/dbraw/zinc/20/83/90/785208390.db2.gz JQGAMSMCVHCOSX-QWHCGFSZSA-N 2 1 340.424 -1.504 20 0 EAADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](O)CN1C(=O)CCC1=O ZINC001267230252 785208384 /nfs/dbraw/zinc/20/83/84/785208384.db2.gz JQGAMSMCVHCOSX-QWHCGFSZSA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230253 785209834 /nfs/dbraw/zinc/20/98/34/785209834.db2.gz JQGAMSMCVHCOSX-STQMWFEESA-N 2 1 340.424 -1.504 20 0 EAADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230253 785209823 /nfs/dbraw/zinc/20/98/23/785209823.db2.gz JQGAMSMCVHCOSX-STQMWFEESA-N 2 1 340.424 -1.504 20 0 EAADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)CN1C(=O)CCC1=O ZINC001267230253 785209814 /nfs/dbraw/zinc/20/98/14/785209814.db2.gz JQGAMSMCVHCOSX-STQMWFEESA-N 2 1 340.424 -1.504 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267359405 785226866 /nfs/dbraw/zinc/22/68/66/785226866.db2.gz KIKABLWZEXHSGN-LLVKDONJSA-N 2 1 329.401 -1.789 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267359405 785226861 /nfs/dbraw/zinc/22/68/61/785226861.db2.gz KIKABLWZEXHSGN-LLVKDONJSA-N 2 1 329.401 -1.789 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267359406 785227140 /nfs/dbraw/zinc/22/71/40/785227140.db2.gz KIKABLWZEXHSGN-NSHDSACASA-N 2 1 329.401 -1.789 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267359406 785227136 /nfs/dbraw/zinc/22/71/36/785227136.db2.gz KIKABLWZEXHSGN-NSHDSACASA-N 2 1 329.401 -1.789 20 0 EAADMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001267374624 785228509 /nfs/dbraw/zinc/22/85/09/785228509.db2.gz HVSUXUFGZVUFDD-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001267402405 785233206 /nfs/dbraw/zinc/23/32/06/785233206.db2.gz CWDAFXNXPNKFPM-UHFFFAOYSA-N 2 1 336.396 -1.802 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001267729956 785280977 /nfs/dbraw/zinc/28/09/77/785280977.db2.gz GBQKJRWAECVGFU-QWHCGFSZSA-N 2 1 340.424 -1.362 20 0 EAADMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001267729957 785282364 /nfs/dbraw/zinc/28/23/64/785282364.db2.gz GBQKJRWAECVGFU-STQMWFEESA-N 2 1 340.424 -1.362 20 0 EAADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267822611 785297009 /nfs/dbraw/zinc/29/70/09/785297009.db2.gz QJUFPFMNBJMDGW-CHWSQXEVSA-N 2 1 340.424 -1.002 20 0 EAADMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267822612 785296499 /nfs/dbraw/zinc/29/64/99/785296499.db2.gz QJUFPFMNBJMDGW-OLZOCXBDSA-N 2 1 340.424 -1.002 20 0 EAADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267822613 785296184 /nfs/dbraw/zinc/29/61/84/785296184.db2.gz QJUFPFMNBJMDGW-QWHCGFSZSA-N 2 1 340.424 -1.002 20 0 EAADMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267822614 785296948 /nfs/dbraw/zinc/29/69/48/785296948.db2.gz QJUFPFMNBJMDGW-STQMWFEESA-N 2 1 340.424 -1.002 20 0 EAADMP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268057412 785380225 /nfs/dbraw/zinc/38/02/25/785380225.db2.gz NEWWEVXSGPOARP-CHWSQXEVSA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268057412 785380217 /nfs/dbraw/zinc/38/02/17/785380217.db2.gz NEWWEVXSGPOARP-CHWSQXEVSA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268057416 785380056 /nfs/dbraw/zinc/38/00/56/785380056.db2.gz NEWWEVXSGPOARP-OLZOCXBDSA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268057416 785380052 /nfs/dbraw/zinc/38/00/52/785380052.db2.gz NEWWEVXSGPOARP-OLZOCXBDSA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268057418 785379879 /nfs/dbraw/zinc/37/98/79/785379879.db2.gz NEWWEVXSGPOARP-QWHCGFSZSA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268057418 785379868 /nfs/dbraw/zinc/37/98/68/785379868.db2.gz NEWWEVXSGPOARP-QWHCGFSZSA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268057420 785380155 /nfs/dbraw/zinc/38/01/55/785380155.db2.gz NEWWEVXSGPOARP-STQMWFEESA-N 2 1 327.429 -1.221 20 0 EAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268057420 785380151 /nfs/dbraw/zinc/38/01/51/785380151.db2.gz NEWWEVXSGPOARP-STQMWFEESA-N 2 1 327.429 -1.221 20 0 EAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304937 785404442 /nfs/dbraw/zinc/40/44/42/785404442.db2.gz OIOCBRDVIPWHFP-KBPBESRZSA-N 2 1 341.456 -1.049 20 0 EAADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304938 785404947 /nfs/dbraw/zinc/40/49/47/785404947.db2.gz OIOCBRDVIPWHFP-KGLIPLIRSA-N 2 1 341.456 -1.049 20 0 EAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304940 785404899 /nfs/dbraw/zinc/40/48/99/785404899.db2.gz OIOCBRDVIPWHFP-UONOGXRCSA-N 2 1 341.456 -1.049 20 0 EAADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCNC1=O ZINC001268304942 785404463 /nfs/dbraw/zinc/40/44/63/785404463.db2.gz OIOCBRDVIPWHFP-ZIAGYGMSSA-N 2 1 341.456 -1.049 20 0 EAADMP O=C(NC[C@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001268308102 785404097 /nfs/dbraw/zinc/40/40/97/785404097.db2.gz KHKPYTQOPSTULG-IJLUTSLNSA-N 2 1 336.396 -1.395 20 0 EAADMP O=C(NC[C@@H](O)C[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001268308104 785403956 /nfs/dbraw/zinc/40/39/56/785403956.db2.gz KHKPYTQOPSTULG-QJPTWQEYSA-N 2 1 336.396 -1.395 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268315072 785409450 /nfs/dbraw/zinc/40/94/50/785409450.db2.gz SQUUSVDRYDXNSK-GFCCVEGCSA-N 2 1 337.380 -1.593 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268315073 785408573 /nfs/dbraw/zinc/40/85/73/785408573.db2.gz SQUUSVDRYDXNSK-LBPRGKRZSA-N 2 1 337.380 -1.593 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268315946 785409285 /nfs/dbraw/zinc/40/92/85/785409285.db2.gz QDHODPRVVOBVOH-CHWSQXEVSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268316004 785409172 /nfs/dbraw/zinc/40/91/72/785409172.db2.gz QDHODPRVVOBVOH-OLZOCXBDSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268316005 785409333 /nfs/dbraw/zinc/40/93/33/785409333.db2.gz QDHODPRVVOBVOH-QWHCGFSZSA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O ZINC001268316006 785409609 /nfs/dbraw/zinc/40/96/09/785409609.db2.gz QDHODPRVVOBVOH-STQMWFEESA-N 2 1 340.424 -1.314 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328455 785416699 /nfs/dbraw/zinc/41/66/99/785416699.db2.gz NEENXANGRMQQFL-CHWSQXEVSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328456 785416718 /nfs/dbraw/zinc/41/67/18/785416718.db2.gz NEENXANGRMQQFL-OLZOCXBDSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328458 785416611 /nfs/dbraw/zinc/41/66/11/785416611.db2.gz NEENXANGRMQQFL-QWHCGFSZSA-N 2 1 340.424 -1.456 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001268328460 785416786 /nfs/dbraw/zinc/41/67/86/785416786.db2.gz NEENXANGRMQQFL-STQMWFEESA-N 2 1 340.424 -1.456 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268519705 785442979 /nfs/dbraw/zinc/44/29/79/785442979.db2.gz FMWXDJMRMBPHTO-ITKZLYELSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268519705 785442976 /nfs/dbraw/zinc/44/29/76/785442976.db2.gz FMWXDJMRMBPHTO-ITKZLYELSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268519710 785442828 /nfs/dbraw/zinc/44/28/28/785442828.db2.gz FMWXDJMRMBPHTO-QMAVJUDZSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268519710 785442825 /nfs/dbraw/zinc/44/28/25/785442825.db2.gz FMWXDJMRMBPHTO-QMAVJUDZSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268519711 785443471 /nfs/dbraw/zinc/44/34/71/785443471.db2.gz FMWXDJMRMBPHTO-RXNFCKPNSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268519711 785443467 /nfs/dbraw/zinc/44/34/67/785443467.db2.gz FMWXDJMRMBPHTO-RXNFCKPNSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268519712 785443117 /nfs/dbraw/zinc/44/31/17/785443117.db2.gz FMWXDJMRMBPHTO-ZYOFXKKJSA-N 2 1 341.412 -1.575 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268519712 785443108 /nfs/dbraw/zinc/44/31/08/785443108.db2.gz FMWXDJMRMBPHTO-ZYOFXKKJSA-N 2 1 341.412 -1.575 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268519864 785442575 /nfs/dbraw/zinc/44/25/75/785442575.db2.gz GNLOPVSABNXDIK-DFPOMNKCSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268519864 785442571 /nfs/dbraw/zinc/44/25/71/785442571.db2.gz GNLOPVSABNXDIK-DFPOMNKCSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268519865 785442672 /nfs/dbraw/zinc/44/26/72/785442672.db2.gz GNLOPVSABNXDIK-KBIXYVOKSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268519865 785442669 /nfs/dbraw/zinc/44/26/69/785442669.db2.gz GNLOPVSABNXDIK-KBIXYVOKSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268519866 785442909 /nfs/dbraw/zinc/44/29/09/785442909.db2.gz GNLOPVSABNXDIK-RUULKOMLSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268519866 785442905 /nfs/dbraw/zinc/44/29/05/785442905.db2.gz GNLOPVSABNXDIK-RUULKOMLSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268519867 785443517 /nfs/dbraw/zinc/44/35/17/785443517.db2.gz GNLOPVSABNXDIK-XMXMHJJKSA-N 2 1 341.412 -1.577 20 0 EAADMP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268519867 785443512 /nfs/dbraw/zinc/44/35/12/785443512.db2.gz GNLOPVSABNXDIK-XMXMHJJKSA-N 2 1 341.412 -1.577 20 0 EAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268704448 785467643 /nfs/dbraw/zinc/46/76/43/785467643.db2.gz DDJZOQVOXRWOGX-NEPJUHHUSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268704449 785467843 /nfs/dbraw/zinc/46/78/43/785467843.db2.gz DDJZOQVOXRWOGX-RYUDHWBXSA-N 2 1 325.413 -1.026 20 0 EAADMP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001268708654 785468953 /nfs/dbraw/zinc/46/89/53/785468953.db2.gz HPUIDALVKSMPND-ZDUSSCGKSA-N 2 1 327.429 -1.172 20 0 EAADMP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001268708964 785469384 /nfs/dbraw/zinc/46/93/84/785469384.db2.gz LTKFMRCKVVBSBM-NWDGAFQWSA-N 2 1 326.397 -1.392 20 0 EAADMP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CC[NH+]1CCOCC1 ZINC001268708965 785469520 /nfs/dbraw/zinc/46/95/20/785469520.db2.gz LTKFMRCKVVBSBM-RYUDHWBXSA-N 2 1 326.397 -1.392 20 0 EAADMP CC[C@H](C(=O)NCC1C[NH+](CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001268843262 785480327 /nfs/dbraw/zinc/48/03/27/785480327.db2.gz GGFWFMZRESYIEN-GFCCVEGCSA-N 2 1 325.413 -1.074 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001268896042 785484768 /nfs/dbraw/zinc/48/47/68/785484768.db2.gz IOMNDUDAIDTVDR-GFCCVEGCSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@@H+]1CC[C@H](CC(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001268896042 785484762 /nfs/dbraw/zinc/48/47/62/785484762.db2.gz IOMNDUDAIDTVDR-GFCCVEGCSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001268896043 785484467 /nfs/dbraw/zinc/48/44/67/785484467.db2.gz IOMNDUDAIDTVDR-LBPRGKRZSA-N 2 1 337.424 -1.072 20 0 EAADMP C[N@@H+]1CC[C@@H](CC(=O)NCC2C[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001268896043 785484464 /nfs/dbraw/zinc/48/44/64/785484464.db2.gz IOMNDUDAIDTVDR-LBPRGKRZSA-N 2 1 337.424 -1.072 20 0 EAADMP CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268945135 785486768 /nfs/dbraw/zinc/48/67/68/785486768.db2.gz AWXBIDCZWIWTHK-GFCCVEGCSA-N 2 1 325.413 -1.072 20 0 EAADMP CN(CCC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268945136 785486890 /nfs/dbraw/zinc/48/68/90/785486890.db2.gz AWXBIDCZWIWTHK-LBPRGKRZSA-N 2 1 325.413 -1.072 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H](C1)O2 ZINC001269094446 785504363 /nfs/dbraw/zinc/50/43/63/785504363.db2.gz HAZDPFOJRPXHAW-GASCZTMLSA-N 2 1 344.456 -2.254 20 0 EAADMP C[NH+](C)CCN1CC2(C1)CCN(C(=O)C[NH+](CCO)CCO)CC2 ZINC001269094753 785504150 /nfs/dbraw/zinc/50/41/50/785504150.db2.gz KCIIHUUVTVARSW-UHFFFAOYSA-N 2 1 342.484 -1.241 20 0 EAADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269094812 785503326 /nfs/dbraw/zinc/50/33/26/785503326.db2.gz KOCIBTXIUBWXFJ-GASCZTMLSA-N 2 1 328.457 -1.490 20 0 EAADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CCO)CCO)C2 ZINC001269094834 785503800 /nfs/dbraw/zinc/50/38/00/785503800.db2.gz LCQPIUNXCWKAHU-CABCVRRESA-N 2 1 328.457 -1.633 20 0 EAADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269094877 785506093 /nfs/dbraw/zinc/50/60/93/785506093.db2.gz MHFGABVNIOGSCR-MQVJKMGUSA-N 2 1 342.484 -1.054 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@H]21 ZINC001269095142 785505309 /nfs/dbraw/zinc/50/53/09/785505309.db2.gz NTDCULQIBFLCDI-CABCVRRESA-N 2 1 344.456 -2.254 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[NH+](CCO)CCO)C[C@@H]21 ZINC001269095143 785505382 /nfs/dbraw/zinc/50/53/82/785505382.db2.gz NTDCULQIBFLCDI-GJZGRUSLSA-N 2 1 344.456 -2.254 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001269095401 785505965 /nfs/dbraw/zinc/50/59/65/785505965.db2.gz SHNHMOGVJBHNAK-GASCZTMLSA-N 2 1 344.456 -2.254 20 0 EAADMP C[NH+](C)CCN1CC2(C1)CCCN(C(=O)C[NH+](CCO)CCO)C2 ZINC001269095784 785505394 /nfs/dbraw/zinc/50/53/94/785505394.db2.gz VVRBZVOXCXYYAE-UHFFFAOYSA-N 2 1 342.484 -1.241 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144739 785512185 /nfs/dbraw/zinc/51/21/85/785512185.db2.gz INPCXQLCXUXKKD-CHWSQXEVSA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144740 785512041 /nfs/dbraw/zinc/51/20/41/785512041.db2.gz INPCXQLCXUXKKD-OLZOCXBDSA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144741 785510735 /nfs/dbraw/zinc/51/07/35/785510735.db2.gz INPCXQLCXUXKKD-QWHCGFSZSA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C2CC2)C1 ZINC001269144742 785510590 /nfs/dbraw/zinc/51/05/90/785510590.db2.gz INPCXQLCXUXKKD-STQMWFEESA-N 2 1 337.424 -1.026 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCS(C)(=O)=O)CC2)C1 ZINC001269393287 785538099 /nfs/dbraw/zinc/53/80/99/785538099.db2.gz CRBUKYDHZDPLRH-GFCCVEGCSA-N 2 1 333.454 -1.010 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CCCS(C)(=O)=O)CC2)C1 ZINC001269393287 785538091 /nfs/dbraw/zinc/53/80/91/785538091.db2.gz CRBUKYDHZDPLRH-GFCCVEGCSA-N 2 1 333.454 -1.010 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCS(C)(=O)=O)CC2)C1 ZINC001269393288 785537608 /nfs/dbraw/zinc/53/76/08/785537608.db2.gz CRBUKYDHZDPLRH-LBPRGKRZSA-N 2 1 333.454 -1.010 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CCCS(C)(=O)=O)CC2)C1 ZINC001269393288 785537603 /nfs/dbraw/zinc/53/76/03/785537603.db2.gz CRBUKYDHZDPLRH-LBPRGKRZSA-N 2 1 333.454 -1.010 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)OCC1=O ZINC001270043564 785571125 /nfs/dbraw/zinc/57/11/25/785571125.db2.gz GUNJDAZXQJSYRN-CYBMUJFWSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)OCC1=O ZINC001270043564 785571121 /nfs/dbraw/zinc/57/11/21/785571121.db2.gz GUNJDAZXQJSYRN-CYBMUJFWSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)OCC1=O ZINC001270043565 785571637 /nfs/dbraw/zinc/57/16/37/785571637.db2.gz GUNJDAZXQJSYRN-ZDUSSCGKSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)OCC1=O ZINC001270043565 785571632 /nfs/dbraw/zinc/57/16/32/785571632.db2.gz GUNJDAZXQJSYRN-ZDUSSCGKSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001270044753 785571466 /nfs/dbraw/zinc/57/14/66/785571466.db2.gz YVOZEEGFSHJSSS-CYBMUJFWSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001270044753 785571458 /nfs/dbraw/zinc/57/14/58/785571458.db2.gz YVOZEEGFSHJSSS-CYBMUJFWSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001270044754 785571709 /nfs/dbraw/zinc/57/17/09/785571709.db2.gz YVOZEEGFSHJSSS-ZDUSSCGKSA-N 2 1 340.424 -1.682 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001270044754 785571704 /nfs/dbraw/zinc/57/17/04/785571704.db2.gz YVOZEEGFSHJSSS-ZDUSSCGKSA-N 2 1 340.424 -1.682 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379327 785589597 /nfs/dbraw/zinc/58/95/97/785589597.db2.gz NMSBVPDKPZZUKW-NEPJUHHUSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379327 785589593 /nfs/dbraw/zinc/58/95/93/785589593.db2.gz NMSBVPDKPZZUKW-NEPJUHHUSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379328 785589652 /nfs/dbraw/zinc/58/96/52/785589652.db2.gz NMSBVPDKPZZUKW-NWDGAFQWSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379328 785589649 /nfs/dbraw/zinc/58/96/49/785589649.db2.gz NMSBVPDKPZZUKW-NWDGAFQWSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379329 785589728 /nfs/dbraw/zinc/58/97/28/785589728.db2.gz NMSBVPDKPZZUKW-RYUDHWBXSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379329 785589724 /nfs/dbraw/zinc/58/97/24/785589724.db2.gz NMSBVPDKPZZUKW-RYUDHWBXSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379330 785589940 /nfs/dbraw/zinc/58/99/40/785589940.db2.gz NMSBVPDKPZZUKW-VXGBXAGGSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CNC1=O ZINC001270379330 785589936 /nfs/dbraw/zinc/58/99/36/785589936.db2.gz NMSBVPDKPZZUKW-VXGBXAGGSA-N 2 1 341.412 -1.789 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379605 785588888 /nfs/dbraw/zinc/58/88/88/785588888.db2.gz PBTUIWIEQNKFSW-CHWSQXEVSA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379605 785588881 /nfs/dbraw/zinc/58/88/81/785588881.db2.gz PBTUIWIEQNKFSW-CHWSQXEVSA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379606 785589549 /nfs/dbraw/zinc/58/95/49/785589549.db2.gz PBTUIWIEQNKFSW-OLZOCXBDSA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379606 785589542 /nfs/dbraw/zinc/58/95/42/785589542.db2.gz PBTUIWIEQNKFSW-OLZOCXBDSA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379607 785589071 /nfs/dbraw/zinc/58/90/71/785589071.db2.gz PBTUIWIEQNKFSW-QWHCGFSZSA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379607 785589062 /nfs/dbraw/zinc/58/90/62/785589062.db2.gz PBTUIWIEQNKFSW-QWHCGFSZSA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379608 785589901 /nfs/dbraw/zinc/58/99/01/785589901.db2.gz PBTUIWIEQNKFSW-STQMWFEESA-N 2 1 340.424 -1.192 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270379608 785589896 /nfs/dbraw/zinc/58/98/96/785589896.db2.gz PBTUIWIEQNKFSW-STQMWFEESA-N 2 1 340.424 -1.192 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)CN1CC[NH+](C)CC1 ZINC001270702348 785611816 /nfs/dbraw/zinc/61/18/16/785611816.db2.gz LXEOJSQXFARUGK-IYBDPMFKSA-N 2 1 339.484 -1.293 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001270702701 785610869 /nfs/dbraw/zinc/61/08/69/785610869.db2.gz URFIGVHIDKXQPP-IYBDPMFKSA-N 2 1 339.484 -1.293 20 0 EAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CN4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001270702819 785611391 /nfs/dbraw/zinc/61/13/91/785611391.db2.gz WZVROEVLVKUTJH-GJZGRUSLSA-N 2 1 349.479 -1.097 20 0 EAADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)CN4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001270702819 785611387 /nfs/dbraw/zinc/61/13/87/785611387.db2.gz WZVROEVLVKUTJH-GJZGRUSLSA-N 2 1 349.479 -1.097 20 0 EAADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CN4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001270702820 785611897 /nfs/dbraw/zinc/61/18/97/785611897.db2.gz WZVROEVLVKUTJH-HUUCEWRRSA-N 2 1 349.479 -1.097 20 0 EAADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)CN4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001270702820 785611892 /nfs/dbraw/zinc/61/18/92/785611892.db2.gz WZVROEVLVKUTJH-HUUCEWRRSA-N 2 1 349.479 -1.097 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@H]21 ZINC001270702850 785611294 /nfs/dbraw/zinc/61/12/94/785611294.db2.gz XVYGQGKQXNWMHD-CVEARBPZSA-N 2 1 339.484 -1.293 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)CN3CC[NH+](C)CC3)C[C@@H]21 ZINC001270702852 785611557 /nfs/dbraw/zinc/61/15/57/785611557.db2.gz XVYGQGKQXNWMHD-HOTGVXAUSA-N 2 1 339.484 -1.293 20 0 EAADMP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270930219 785638119 /nfs/dbraw/zinc/63/81/19/785638119.db2.gz QDJSTCNXLUDIKF-NEPJUHHUSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270930219 785638117 /nfs/dbraw/zinc/63/81/17/785638117.db2.gz QDJSTCNXLUDIKF-NEPJUHHUSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270930220 785638490 /nfs/dbraw/zinc/63/84/90/785638490.db2.gz QDJSTCNXLUDIKF-NWDGAFQWSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270930220 785638486 /nfs/dbraw/zinc/63/84/86/785638486.db2.gz QDJSTCNXLUDIKF-NWDGAFQWSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270930221 785638304 /nfs/dbraw/zinc/63/83/04/785638304.db2.gz QDJSTCNXLUDIKF-RYUDHWBXSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270930221 785638301 /nfs/dbraw/zinc/63/83/01/785638301.db2.gz QDJSTCNXLUDIKF-RYUDHWBXSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270930222 785638098 /nfs/dbraw/zinc/63/80/98/785638098.db2.gz QDJSTCNXLUDIKF-VXGBXAGGSA-N 2 1 341.412 -1.695 20 0 EAADMP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270930222 785638093 /nfs/dbraw/zinc/63/80/93/785638093.db2.gz QDJSTCNXLUDIKF-VXGBXAGGSA-N 2 1 341.412 -1.695 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)CC3)[C@H]2C1 ZINC001270977536 785640681 /nfs/dbraw/zinc/64/06/81/785640681.db2.gz OTNQBAIWVNPXAL-IHRRRGAJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)CC3)[C@H]2C1 ZINC001270977536 785640678 /nfs/dbraw/zinc/64/06/78/785640678.db2.gz OTNQBAIWVNPXAL-IHRRRGAJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[NH+](C)CCO4)CC3)[C@H]2C1 ZINC001270977536 785640674 /nfs/dbraw/zinc/64/06/74/785640674.db2.gz OTNQBAIWVNPXAL-IHRRRGAJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[NH+](C)CCO4)CC3)[C@H]2C1 ZINC001270977536 785640662 /nfs/dbraw/zinc/64/06/62/785640662.db2.gz OTNQBAIWVNPXAL-IHRRRGAJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977537 785640348 /nfs/dbraw/zinc/64/03/48/785640348.db2.gz OTNQBAIWVNPXAL-MCIONIFRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977537 785640345 /nfs/dbraw/zinc/64/03/45/785640345.db2.gz OTNQBAIWVNPXAL-MCIONIFRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[NH+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977537 785640338 /nfs/dbraw/zinc/64/03/38/785640338.db2.gz OTNQBAIWVNPXAL-MCIONIFRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[NH+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977537 785640334 /nfs/dbraw/zinc/64/03/34/785640334.db2.gz OTNQBAIWVNPXAL-MCIONIFRSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)CC3)[C@H]2C1 ZINC001270977538 785640116 /nfs/dbraw/zinc/64/01/16/785640116.db2.gz OTNQBAIWVNPXAL-MELADBBJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[N@H+](C)CCO4)CC3)[C@H]2C1 ZINC001270977538 785640113 /nfs/dbraw/zinc/64/01/13/785640113.db2.gz OTNQBAIWVNPXAL-MELADBBJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[NH+](C)CCO4)CC3)[C@H]2C1 ZINC001270977538 785640108 /nfs/dbraw/zinc/64/01/08/785640108.db2.gz OTNQBAIWVNPXAL-MELADBBJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[NH+](C)CCO4)CC3)[C@H]2C1 ZINC001270977538 785640103 /nfs/dbraw/zinc/64/01/03/785640103.db2.gz OTNQBAIWVNPXAL-MELADBBJSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977539 785640265 /nfs/dbraw/zinc/64/02/65/785640265.db2.gz OTNQBAIWVNPXAL-MGPQQGTHSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[N@H+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977539 785640264 /nfs/dbraw/zinc/64/02/64/785640264.db2.gz OTNQBAIWVNPXAL-MGPQQGTHSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[NH+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977539 785640260 /nfs/dbraw/zinc/64/02/60/785640260.db2.gz OTNQBAIWVNPXAL-MGPQQGTHSA-N 2 1 336.436 -1.014 20 0 EAADMP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[NH+](C)CCO4)CC3)[C@@H]2C1 ZINC001270977539 785640257 /nfs/dbraw/zinc/64/02/57/785640257.db2.gz OTNQBAIWVNPXAL-MGPQQGTHSA-N 2 1 336.436 -1.014 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001270979486 785641010 /nfs/dbraw/zinc/64/10/10/785641010.db2.gz IHZCNPCMORWICF-ILXRZTDVSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001270979486 785641005 /nfs/dbraw/zinc/64/10/05/785641005.db2.gz IHZCNPCMORWICF-ILXRZTDVSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001270979487 785640200 /nfs/dbraw/zinc/64/02/00/785640200.db2.gz IHZCNPCMORWICF-KKUMJFAQSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001270979487 785640196 /nfs/dbraw/zinc/64/01/96/785640196.db2.gz IHZCNPCMORWICF-KKUMJFAQSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC001270979488 785641092 /nfs/dbraw/zinc/64/10/92/785641092.db2.gz IHZCNPCMORWICF-QLFBSQMISA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC001270979488 785641086 /nfs/dbraw/zinc/64/10/86/785641086.db2.gz IHZCNPCMORWICF-QLFBSQMISA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001270979489 785640288 /nfs/dbraw/zinc/64/02/88/785640288.db2.gz IHZCNPCMORWICF-SOUVJXGZSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001270979489 785640284 /nfs/dbraw/zinc/64/02/84/785640284.db2.gz IHZCNPCMORWICF-SOUVJXGZSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H](C1)O2 ZINC001270980890 785641922 /nfs/dbraw/zinc/64/19/22/785641922.db2.gz YYKSVYDSMRBDCG-QLFBSQMISA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H](C1)O2 ZINC001270980890 785641916 /nfs/dbraw/zinc/64/19/16/785641916.db2.gz YYKSVYDSMRBDCG-QLFBSQMISA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@H](C1)O2 ZINC001270980891 785641867 /nfs/dbraw/zinc/64/18/67/785641867.db2.gz YYKSVYDSMRBDCG-ZNMIVQPWSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@H](C1)O2 ZINC001270980891 785641863 /nfs/dbraw/zinc/64/18/63/785641863.db2.gz YYKSVYDSMRBDCG-ZNMIVQPWSA-N 2 1 326.441 -1.210 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[N@H+]1CC[C@@H](O)C1)C2 ZINC001271086222 785651552 /nfs/dbraw/zinc/65/15/52/785651552.db2.gz IXZHHENOSKMGMP-CYBMUJFWSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)C2 ZINC001271086222 785651547 /nfs/dbraw/zinc/65/15/47/785651547.db2.gz IXZHHENOSKMGMP-CYBMUJFWSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[N@H+]1CC[C@H](O)C1)C2 ZINC001271086224 785650752 /nfs/dbraw/zinc/65/07/52/785650752.db2.gz IXZHHENOSKMGMP-ZDUSSCGKSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C[N@@H+]1CC[C@H](O)C1)C2 ZINC001271086224 785650751 /nfs/dbraw/zinc/65/07/51/785650751.db2.gz IXZHHENOSKMGMP-ZDUSSCGKSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)OCC1=O ZINC001271086942 785651321 /nfs/dbraw/zinc/65/13/21/785651321.db2.gz OTCXALDTHUFYFJ-CYBMUJFWSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)OCC1=O ZINC001271086942 785651317 /nfs/dbraw/zinc/65/13/17/785651317.db2.gz OTCXALDTHUFYFJ-CYBMUJFWSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)OCC1=O ZINC001271086943 785650679 /nfs/dbraw/zinc/65/06/79/785650679.db2.gz OTCXALDTHUFYFJ-ZDUSSCGKSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)OCC1=O ZINC001271086943 785650676 /nfs/dbraw/zinc/65/06/76/785650676.db2.gz OTCXALDTHUFYFJ-ZDUSSCGKSA-N 2 1 340.424 -1.946 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C2)OCC1=O ZINC001271098351 785653008 /nfs/dbraw/zinc/65/30/08/785653008.db2.gz DINHRMUUYWOSQA-STQMWFEESA-N 2 1 340.424 -1.947 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)OCC1=O ZINC001271098351 785653002 /nfs/dbraw/zinc/65/30/02/785653002.db2.gz DINHRMUUYWOSQA-STQMWFEESA-N 2 1 340.424 -1.947 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@H+]1C)C2 ZINC001271099061 785652949 /nfs/dbraw/zinc/65/29/49/785652949.db2.gz ZSYBZTSFGMQOKC-STQMWFEESA-N 2 1 340.424 -1.947 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C)C2 ZINC001271099061 785652946 /nfs/dbraw/zinc/65/29/46/785652946.db2.gz ZSYBZTSFGMQOKC-STQMWFEESA-N 2 1 340.424 -1.947 20 0 EAADMP O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001271146335 785661723 /nfs/dbraw/zinc/66/17/23/785661723.db2.gz VQPBFSBWOUFLHG-DOTOQJQBSA-N 2 1 341.452 -1.110 20 0 EAADMP O=C(NC[C@]1(O)CC[N@H+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271146336 785661012 /nfs/dbraw/zinc/66/10/12/785661012.db2.gz VQPBFSBWOUFLHG-NVXWUHKLSA-N 2 1 341.452 -1.110 20 0 EAADMP O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001271146337 785661452 /nfs/dbraw/zinc/66/14/52/785661452.db2.gz VQPBFSBWOUFLHG-RDJZCZTQSA-N 2 1 341.452 -1.110 20 0 EAADMP O=C(NC[C@@]1(O)CC[N@H+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271146338 785661512 /nfs/dbraw/zinc/66/15/12/785661512.db2.gz VQPBFSBWOUFLHG-WBVHZDCISA-N 2 1 341.452 -1.110 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001272196619 785809988 /nfs/dbraw/zinc/80/99/88/785809988.db2.gz NFOSKKMCXMSKDO-AWEZNQCLSA-N 2 1 341.456 -1.094 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001272196620 785809855 /nfs/dbraw/zinc/80/98/55/785809855.db2.gz NFOSKKMCXMSKDO-CQSZACIVSA-N 2 1 341.456 -1.094 20 0 EAADMP CCNC(=O)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001272226227 785820575 /nfs/dbraw/zinc/82/05/75/785820575.db2.gz UQUBNCZUHOFMCK-GFCCVEGCSA-N 2 1 343.428 -1.663 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1C(=O)CCC1=O ZINC001272226452 785820708 /nfs/dbraw/zinc/82/07/08/785820708.db2.gz VRQQXIOLJCDQDW-CYBMUJFWSA-N 2 1 340.424 -1.360 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@H+]1C ZINC001272273347 785612394 /nfs/dbraw/zinc/61/23/94/785612394.db2.gz JOUOEYQGEGCBDI-XGUBFFRZSA-N 2 1 326.441 -1.475 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@H](O)C[N@H+]4C)CC3)[C@@H]2C1 ZINC001272273527 785691598 /nfs/dbraw/zinc/69/15/98/785691598.db2.gz PHOKKFLFOXUXFM-DGAVXFQQSA-N 2 1 336.436 -1.280 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@H](O)C[N@@H+]4C)CC3)[C@@H]2C1 ZINC001272273527 785691594 /nfs/dbraw/zinc/69/15/94/785691594.db2.gz PHOKKFLFOXUXFM-DGAVXFQQSA-N 2 1 336.436 -1.280 20 0 EAADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001272273527 785691591 /nfs/dbraw/zinc/69/15/91/785691591.db2.gz PHOKKFLFOXUXFM-DGAVXFQQSA-N 2 1 336.436 -1.280 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@H](O)C[N@H+]4C)CC3)[C@H]2C1 ZINC001272273528 785691032 /nfs/dbraw/zinc/69/10/32/785691032.db2.gz PHOKKFLFOXUXFM-XUXIUFHCSA-N 2 1 336.436 -1.280 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[C@H](O)C[N@@H+]4C)CC3)[C@H]2C1 ZINC001272273528 785691028 /nfs/dbraw/zinc/69/10/28/785691028.db2.gz PHOKKFLFOXUXFM-XUXIUFHCSA-N 2 1 336.436 -1.280 20 0 EAADMP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001272273528 785691026 /nfs/dbraw/zinc/69/10/26/785691026.db2.gz PHOKKFLFOXUXFM-XUXIUFHCSA-N 2 1 336.436 -1.280 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@@H]21 ZINC001272273608 785706591 /nfs/dbraw/zinc/70/65/91/785706591.db2.gz RTPHBOIDLKGSPV-AJNGGQMLSA-N 2 1 326.441 -1.475 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@@H]21 ZINC001272273608 785706588 /nfs/dbraw/zinc/70/65/88/785706588.db2.gz RTPHBOIDLKGSPV-AJNGGQMLSA-N 2 1 326.441 -1.475 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@H]21 ZINC001272273609 785707624 /nfs/dbraw/zinc/70/76/24/785707624.db2.gz RTPHBOIDLKGSPV-XQLPTFJDSA-N 2 1 326.441 -1.475 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@H]21 ZINC001272273609 785707619 /nfs/dbraw/zinc/70/76/19/785707619.db2.gz RTPHBOIDLKGSPV-XQLPTFJDSA-N 2 1 326.441 -1.475 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@H+]3C)C[C@H](C1)O2 ZINC001272273844 785910834 /nfs/dbraw/zinc/91/08/34/785910834.db2.gz ZDADQSLUURXVGY-XQLPTFJDSA-N 2 1 326.441 -1.475 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C[C@H](C1)O2 ZINC001272273844 785910828 /nfs/dbraw/zinc/91/08/28/785910828.db2.gz ZDADQSLUURXVGY-XQLPTFJDSA-N 2 1 326.441 -1.475 20 0 EAADMP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272294726 785954579 /nfs/dbraw/zinc/95/45/79/785954579.db2.gz BMOCVOQKORBTAG-GFCCVEGCSA-N 2 1 325.417 -1.538 20 0 EAADMP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272294726 785954576 /nfs/dbraw/zinc/95/45/76/785954576.db2.gz BMOCVOQKORBTAG-GFCCVEGCSA-N 2 1 325.417 -1.538 20 0 EAADMP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272294728 785953771 /nfs/dbraw/zinc/95/37/71/785953771.db2.gz BMOCVOQKORBTAG-LBPRGKRZSA-N 2 1 325.417 -1.538 20 0 EAADMP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272294728 785953767 /nfs/dbraw/zinc/95/37/67/785953767.db2.gz BMOCVOQKORBTAG-LBPRGKRZSA-N 2 1 325.417 -1.538 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001272307678 785956685 /nfs/dbraw/zinc/95/66/85/785956685.db2.gz ZBNFKRSJMKCGSK-KBPBESRZSA-N 2 1 347.481 -1.217 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001272307679 785956960 /nfs/dbraw/zinc/95/69/60/785956960.db2.gz ZBNFKRSJMKCGSK-KGLIPLIRSA-N 2 1 347.481 -1.217 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001272307680 785956733 /nfs/dbraw/zinc/95/67/33/785956733.db2.gz ZBNFKRSJMKCGSK-UONOGXRCSA-N 2 1 347.481 -1.217 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001272307681 785956908 /nfs/dbraw/zinc/95/69/08/785956908.db2.gz ZBNFKRSJMKCGSK-ZIAGYGMSSA-N 2 1 347.481 -1.217 20 0 EAADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCO)CC[NH2+]Cc1nnnn1C ZINC001272315944 785958712 /nfs/dbraw/zinc/95/87/12/785958712.db2.gz YZNDKYIPVBPRCX-BETUJISGSA-N 2 1 339.444 -1.007 20 0 EAADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCO)CCNCc1nnnn1C ZINC001272315944 785958702 /nfs/dbraw/zinc/95/87/02/785958702.db2.gz YZNDKYIPVBPRCX-BETUJISGSA-N 2 1 339.444 -1.007 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272380412 785967150 /nfs/dbraw/zinc/96/71/50/785967150.db2.gz MQFRJMKTKOOOEL-NEPJUHHUSA-N 2 1 341.412 -1.911 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272380416 785967214 /nfs/dbraw/zinc/96/72/14/785967214.db2.gz MQFRJMKTKOOOEL-NWDGAFQWSA-N 2 1 341.412 -1.911 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272380419 785966528 /nfs/dbraw/zinc/96/65/28/785966528.db2.gz MQFRJMKTKOOOEL-RYUDHWBXSA-N 2 1 341.412 -1.911 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCCN1C(=O)CNC1=O ZINC001272380421 785966962 /nfs/dbraw/zinc/96/69/62/785966962.db2.gz MQFRJMKTKOOOEL-VXGBXAGGSA-N 2 1 341.412 -1.911 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272381608 785966684 /nfs/dbraw/zinc/96/66/84/785966684.db2.gz VDCMFLHXXSISGY-CHWSQXEVSA-N 2 1 348.469 -1.817 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272381609 785966779 /nfs/dbraw/zinc/96/67/79/785966779.db2.gz VDCMFLHXXSISGY-OLZOCXBDSA-N 2 1 348.469 -1.817 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272381610 785967057 /nfs/dbraw/zinc/96/70/57/785967057.db2.gz VDCMFLHXXSISGY-QWHCGFSZSA-N 2 1 348.469 -1.817 20 0 EAADMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCS1(=O)=O ZINC001272381611 785966585 /nfs/dbraw/zinc/96/65/85/785966585.db2.gz VDCMFLHXXSISGY-STQMWFEESA-N 2 1 348.469 -1.817 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389838 785968622 /nfs/dbraw/zinc/96/86/22/785968622.db2.gz UQNYQOKAZHQDFR-NEPJUHHUSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389838 785968618 /nfs/dbraw/zinc/96/86/18/785968618.db2.gz UQNYQOKAZHQDFR-NEPJUHHUSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389839 785969064 /nfs/dbraw/zinc/96/90/64/785969064.db2.gz UQNYQOKAZHQDFR-NWDGAFQWSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389839 785969057 /nfs/dbraw/zinc/96/90/57/785969057.db2.gz UQNYQOKAZHQDFR-NWDGAFQWSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389840 785968572 /nfs/dbraw/zinc/96/85/72/785968572.db2.gz UQNYQOKAZHQDFR-RYUDHWBXSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389840 785968571 /nfs/dbraw/zinc/96/85/71/785968571.db2.gz UQNYQOKAZHQDFR-RYUDHWBXSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389841 785968811 /nfs/dbraw/zinc/96/88/11/785968811.db2.gz UQNYQOKAZHQDFR-VXGBXAGGSA-N 2 1 342.396 -2.467 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001272389841 785968794 /nfs/dbraw/zinc/96/87/94/785968794.db2.gz UQNYQOKAZHQDFR-VXGBXAGGSA-N 2 1 342.396 -2.467 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NC[C@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272479674 785980496 /nfs/dbraw/zinc/98/04/96/785980496.db2.gz PDZGTSFCJORMDT-LLVKDONJSA-N 2 1 338.368 -2.190 20 0 EAADMP Cc1c[nH+]cn1CC(=O)NC[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O ZINC001272479675 785980364 /nfs/dbraw/zinc/98/03/64/785980364.db2.gz PDZGTSFCJORMDT-NSHDSACASA-N 2 1 338.368 -2.190 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001272496533 785981617 /nfs/dbraw/zinc/98/16/17/785981617.db2.gz OXYJIAMGDAPGTI-NEPJUHHUSA-N 2 1 336.458 -1.913 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCNS(C)(=O)=O ZINC001272496534 785982063 /nfs/dbraw/zinc/98/20/63/785982063.db2.gz OXYJIAMGDAPGTI-RYUDHWBXSA-N 2 1 336.458 -1.913 20 0 EAADMP CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001272497299 785982090 /nfs/dbraw/zinc/98/20/90/785982090.db2.gz VYIXWELMCSKLRQ-CHWSQXEVSA-N 2 1 329.445 -1.145 20 0 EAADMP CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001272497300 785981312 /nfs/dbraw/zinc/98/13/12/785981312.db2.gz VYIXWELMCSKLRQ-QWHCGFSZSA-N 2 1 329.445 -1.145 20 0 EAADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001272555116 785991873 /nfs/dbraw/zinc/99/18/73/785991873.db2.gz KXLBETSEXLMBAK-KFWWJZLASA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001272555116 785991869 /nfs/dbraw/zinc/99/18/69/785991869.db2.gz KXLBETSEXLMBAK-KFWWJZLASA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[NH+](C)C[C@H]12 ZINC001272555116 785991860 /nfs/dbraw/zinc/99/18/60/785991860.db2.gz KXLBETSEXLMBAK-KFWWJZLASA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001272555117 785992550 /nfs/dbraw/zinc/99/25/50/785992550.db2.gz KXLBETSEXLMBAK-KKUMJFAQSA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001272555117 785992543 /nfs/dbraw/zinc/99/25/43/785992543.db2.gz KXLBETSEXLMBAK-KKUMJFAQSA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[NH+](C)C[C@@H]12 ZINC001272555117 785992540 /nfs/dbraw/zinc/99/25/40/785992540.db2.gz KXLBETSEXLMBAK-KKUMJFAQSA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001272555122 785992198 /nfs/dbraw/zinc/99/21/98/785992198.db2.gz KXLBETSEXLMBAK-RBSFLKMASA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001272555122 785992191 /nfs/dbraw/zinc/99/21/91/785992191.db2.gz KXLBETSEXLMBAK-RBSFLKMASA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[NH+](C)C[C@H]12 ZINC001272555122 785992184 /nfs/dbraw/zinc/99/21/84/785992184.db2.gz KXLBETSEXLMBAK-RBSFLKMASA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001272555131 785992028 /nfs/dbraw/zinc/99/20/28/785992028.db2.gz KXLBETSEXLMBAK-SOUVJXGZSA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001272555131 785992024 /nfs/dbraw/zinc/99/20/24/785992024.db2.gz KXLBETSEXLMBAK-SOUVJXGZSA-N 2 1 349.479 -1.099 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[NH+](C)C[C@@H]12 ZINC001272555131 785992018 /nfs/dbraw/zinc/99/20/18/785992018.db2.gz KXLBETSEXLMBAK-SOUVJXGZSA-N 2 1 349.479 -1.099 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001272555642 785993837 /nfs/dbraw/zinc/99/38/37/785993837.db2.gz PFLZHCFWDBTMDY-AWEZNQCLSA-N 2 1 337.468 -1.145 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001272555642 785993833 /nfs/dbraw/zinc/99/38/33/785993833.db2.gz PFLZHCFWDBTMDY-AWEZNQCLSA-N 2 1 337.468 -1.145 20 0 EAADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001272555642 785993828 /nfs/dbraw/zinc/99/38/28/785993828.db2.gz PFLZHCFWDBTMDY-AWEZNQCLSA-N 2 1 337.468 -1.145 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001272555644 785993435 /nfs/dbraw/zinc/99/34/35/785993435.db2.gz PFLZHCFWDBTMDY-CQSZACIVSA-N 2 1 337.468 -1.145 20 0 EAADMP CN(C)C(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001272555644 785993428 /nfs/dbraw/zinc/99/34/28/785993428.db2.gz PFLZHCFWDBTMDY-CQSZACIVSA-N 2 1 337.468 -1.145 20 0 EAADMP CN(C)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001272555644 785993417 /nfs/dbraw/zinc/99/34/17/785993417.db2.gz PFLZHCFWDBTMDY-CQSZACIVSA-N 2 1 337.468 -1.145 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558710 785997039 /nfs/dbraw/zinc/99/70/39/785997039.db2.gz AUMDARDPJZFDGS-NEPJUHHUSA-N 2 1 341.412 -2.053 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558711 785996820 /nfs/dbraw/zinc/99/68/20/785996820.db2.gz AUMDARDPJZFDGS-NWDGAFQWSA-N 2 1 341.412 -2.053 20 0 EAADMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558712 785997556 /nfs/dbraw/zinc/99/75/56/785997556.db2.gz AUMDARDPJZFDGS-RYUDHWBXSA-N 2 1 341.412 -2.053 20 0 EAADMP C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001272558713 785997312 /nfs/dbraw/zinc/99/73/12/785997312.db2.gz AUMDARDPJZFDGS-VXGBXAGGSA-N 2 1 341.412 -2.053 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001272565603 786003690 /nfs/dbraw/zinc/00/36/90/786003690.db2.gz NQPJEULDRFHXJJ-OWCLPIDISA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1[C@H]2COC[C@@H]1CN(CC[NH+](C)C)C2 ZINC001272565604 786003729 /nfs/dbraw/zinc/00/37/29/786003729.db2.gz NQPJEULDRFHXJJ-XHSDSOJGSA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001272565718 786002741 /nfs/dbraw/zinc/00/27/41/786002741.db2.gz PFHNAXOAQHHTSK-JYJNAYRXSA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272565719 786003319 /nfs/dbraw/zinc/00/33/19/786003319.db2.gz PFHNAXOAQHHTSK-OAGGEKHMSA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001272565720 786003781 /nfs/dbraw/zinc/00/37/81/786003781.db2.gz PFHNAXOAQHHTSK-PMPSAXMXSA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001272565721 786002955 /nfs/dbraw/zinc/00/29/55/786002955.db2.gz PFHNAXOAQHHTSK-XHSDSOJGSA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001272566138 786004086 /nfs/dbraw/zinc/00/40/86/786004086.db2.gz WXAJHQUQWKXRGT-OWCLPIDISA-N 2 1 339.484 -1.295 20 0 EAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001272566139 786004335 /nfs/dbraw/zinc/00/43/35/786004335.db2.gz WXAJHQUQWKXRGT-XHSDSOJGSA-N 2 1 339.484 -1.295 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583534 786011820 /nfs/dbraw/zinc/01/18/20/786011820.db2.gz IXPSMJDQMUTNOM-CHWSQXEVSA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583534 786011810 /nfs/dbraw/zinc/01/18/10/786011810.db2.gz IXPSMJDQMUTNOM-CHWSQXEVSA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583537 786012421 /nfs/dbraw/zinc/01/24/21/786012421.db2.gz IXPSMJDQMUTNOM-OLZOCXBDSA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583537 786012417 /nfs/dbraw/zinc/01/24/17/786012417.db2.gz IXPSMJDQMUTNOM-OLZOCXBDSA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583539 786012304 /nfs/dbraw/zinc/01/23/04/786012304.db2.gz IXPSMJDQMUTNOM-QWHCGFSZSA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583539 786012301 /nfs/dbraw/zinc/01/23/01/786012301.db2.gz IXPSMJDQMUTNOM-QWHCGFSZSA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583541 786012526 /nfs/dbraw/zinc/01/25/26/786012526.db2.gz IXPSMJDQMUTNOM-STQMWFEESA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001272583541 786012519 /nfs/dbraw/zinc/01/25/19/786012519.db2.gz IXPSMJDQMUTNOM-STQMWFEESA-N 2 1 343.428 -2.201 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585408 786012119 /nfs/dbraw/zinc/01/21/19/786012119.db2.gz VEFLSAISWYLFAU-CHWSQXEVSA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585408 786012110 /nfs/dbraw/zinc/01/21/10/786012110.db2.gz VEFLSAISWYLFAU-CHWSQXEVSA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585409 786012361 /nfs/dbraw/zinc/01/23/61/786012361.db2.gz VEFLSAISWYLFAU-OLZOCXBDSA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585409 786012354 /nfs/dbraw/zinc/01/23/54/786012354.db2.gz VEFLSAISWYLFAU-OLZOCXBDSA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585410 786011792 /nfs/dbraw/zinc/01/17/92/786011792.db2.gz VEFLSAISWYLFAU-QWHCGFSZSA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585410 786011785 /nfs/dbraw/zinc/01/17/85/786011785.db2.gz VEFLSAISWYLFAU-QWHCGFSZSA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585411 786012268 /nfs/dbraw/zinc/01/22/68/786012268.db2.gz VEFLSAISWYLFAU-STQMWFEESA-N 2 1 326.401 -1.935 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cncn2)C1 ZINC001272585411 786012259 /nfs/dbraw/zinc/01/22/59/786012259.db2.gz VEFLSAISWYLFAU-STQMWFEESA-N 2 1 326.401 -1.935 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001273068755 786185200 /nfs/dbraw/zinc/18/52/00/786185200.db2.gz BOGVWIHVPIPXSE-QLFBSQMISA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273068755 786185198 /nfs/dbraw/zinc/18/51/98/786185198.db2.gz BOGVWIHVPIPXSE-QLFBSQMISA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@H+]1CC[C@H](O)C1 ZINC001273068762 786185617 /nfs/dbraw/zinc/18/56/17/786185617.db2.gz BOGVWIHVPIPXSE-ZNMIVQPWSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273068762 786185615 /nfs/dbraw/zinc/18/56/15/786185615.db2.gz BOGVWIHVPIPXSE-ZNMIVQPWSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[N@H+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC001273069606 786186413 /nfs/dbraw/zinc/18/64/13/786186413.db2.gz LMUCVIBMAUIZFY-BFHYXJOUSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[N@@H+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC001273069606 786186410 /nfs/dbraw/zinc/18/64/10/786186410.db2.gz LMUCVIBMAUIZFY-BFHYXJOUSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@H](O)C4)CC3)[C@@H]2C1 ZINC001273069606 786186405 /nfs/dbraw/zinc/18/64/05/786186405.db2.gz LMUCVIBMAUIZFY-BFHYXJOUSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[N@H+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC001273069614 786186161 /nfs/dbraw/zinc/18/61/61/786186161.db2.gz LMUCVIBMAUIZFY-IHRRRGAJSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[N@@H+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC001273069614 786186157 /nfs/dbraw/zinc/18/61/57/786186157.db2.gz LMUCVIBMAUIZFY-IHRRRGAJSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@H](O)C4)CC3)[C@H]2C1 ZINC001273069614 786186153 /nfs/dbraw/zinc/18/61/53/786186153.db2.gz LMUCVIBMAUIZFY-IHRRRGAJSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[N@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC001273069616 786186736 /nfs/dbraw/zinc/18/67/36/786186736.db2.gz LMUCVIBMAUIZFY-MGPQQGTHSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[N@@H+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC001273069616 786186734 /nfs/dbraw/zinc/18/67/34/786186734.db2.gz LMUCVIBMAUIZFY-MGPQQGTHSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@@H](O)C4)CC3)[C@@H]2C1 ZINC001273069616 786186730 /nfs/dbraw/zinc/18/67/30/786186730.db2.gz LMUCVIBMAUIZFY-MGPQQGTHSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[N@H+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC001273069617 786186776 /nfs/dbraw/zinc/18/67/76/786186776.db2.gz LMUCVIBMAUIZFY-RDBSUJKOSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[N@@H+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC001273069617 786186773 /nfs/dbraw/zinc/18/67/73/786186773.db2.gz LMUCVIBMAUIZFY-RDBSUJKOSA-N 2 1 336.436 -1.278 20 0 EAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)C[NH+]4CC[C@@H](O)C4)CC3)[C@H]2C1 ZINC001273069617 786186770 /nfs/dbraw/zinc/18/67/70/786186770.db2.gz LMUCVIBMAUIZFY-RDBSUJKOSA-N 2 1 336.436 -1.278 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@@H]21 ZINC001273070003 786185471 /nfs/dbraw/zinc/18/54/71/786185471.db2.gz PCDFHVITPIUNBI-ILXRZTDVSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@@H]21 ZINC001273070003 786185467 /nfs/dbraw/zinc/18/54/67/786185467.db2.gz PCDFHVITPIUNBI-ILXRZTDVSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]21 ZINC001273070004 786185753 /nfs/dbraw/zinc/18/57/53/786185753.db2.gz PCDFHVITPIUNBI-KFWWJZLASA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]21 ZINC001273070004 786185750 /nfs/dbraw/zinc/18/57/50/786185750.db2.gz PCDFHVITPIUNBI-KFWWJZLASA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@@H]21 ZINC001273070005 786185723 /nfs/dbraw/zinc/18/57/23/786185723.db2.gz PCDFHVITPIUNBI-KKUMJFAQSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@@H]21 ZINC001273070005 786185721 /nfs/dbraw/zinc/18/57/21/786185721.db2.gz PCDFHVITPIUNBI-KKUMJFAQSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]21 ZINC001273070006 786185208 /nfs/dbraw/zinc/18/52/08/786185208.db2.gz PCDFHVITPIUNBI-ZNMIVQPWSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]21 ZINC001273070006 786185207 /nfs/dbraw/zinc/18/52/07/786185207.db2.gz PCDFHVITPIUNBI-ZNMIVQPWSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H](C1)O2 ZINC001273070198 786186661 /nfs/dbraw/zinc/18/66/61/786186661.db2.gz VKMAATQVBKQTKT-KFWWJZLASA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H](C1)O2 ZINC001273070198 786186659 /nfs/dbraw/zinc/18/66/59/786186659.db2.gz VKMAATQVBKQTKT-KFWWJZLASA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)C[C@H](C1)O2 ZINC001273070199 786186251 /nfs/dbraw/zinc/18/62/51/786186251.db2.gz VKMAATQVBKQTKT-SOUVJXGZSA-N 2 1 326.441 -1.474 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H](C1)O2 ZINC001273070199 786186247 /nfs/dbraw/zinc/18/62/47/786186247.db2.gz VKMAATQVBKQTKT-SOUVJXGZSA-N 2 1 326.441 -1.474 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359616 786439710 /nfs/dbraw/zinc/43/97/10/786439710.db2.gz ZYKKEFYMCDADHM-CHWSQXEVSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359617 786440151 /nfs/dbraw/zinc/44/01/51/786440151.db2.gz ZYKKEFYMCDADHM-OLZOCXBDSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359618 786440078 /nfs/dbraw/zinc/44/00/78/786440078.db2.gz ZYKKEFYMCDADHM-QWHCGFSZSA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001273359619 786439792 /nfs/dbraw/zinc/43/97/92/786439792.db2.gz ZYKKEFYMCDADHM-STQMWFEESA-N 2 1 348.469 -1.696 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929054 791401308 /nfs/dbraw/zinc/40/13/08/791401308.db2.gz RDADCUWZIDZRHJ-DLGQBQFBSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929054 791401307 /nfs/dbraw/zinc/40/13/07/791401307.db2.gz RDADCUWZIDZRHJ-DLGQBQFBSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929057 791401653 /nfs/dbraw/zinc/40/16/53/791401653.db2.gz RDADCUWZIDZRHJ-JDGPPOGSSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929057 791401650 /nfs/dbraw/zinc/40/16/50/791401650.db2.gz RDADCUWZIDZRHJ-JDGPPOGSSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929058 791401642 /nfs/dbraw/zinc/40/16/42/791401642.db2.gz RDADCUWZIDZRHJ-QAVQXKDTSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929058 791401639 /nfs/dbraw/zinc/40/16/39/791401639.db2.gz RDADCUWZIDZRHJ-QAVQXKDTSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929060 791401933 /nfs/dbraw/zinc/40/19/33/791401933.db2.gz RDADCUWZIDZRHJ-ZZKXABKFSA-N 2 1 339.396 -1.869 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001273929060 791401925 /nfs/dbraw/zinc/40/19/25/791401925.db2.gz RDADCUWZIDZRHJ-ZZKXABKFSA-N 2 1 339.396 -1.869 20 0 EAADMP C[NH+](C)CCN1CC2(CN(C(=O)N3CC[NH+](C)CC3)C2)OCC1=O ZINC001274241480 791473267 /nfs/dbraw/zinc/47/32/67/791473267.db2.gz MOYILDQHLOCZGH-UHFFFAOYSA-N 2 1 339.440 -1.171 20 0 EAADMP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001274242999 791473034 /nfs/dbraw/zinc/47/30/34/791473034.db2.gz XJYKPRAYQLDDPJ-UHFFFAOYSA-N 2 1 339.440 -1.171 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001274439288 791481175 /nfs/dbraw/zinc/48/11/75/791481175.db2.gz RVNWQMKUYZHYBT-AORQRIRUSA-N 2 1 338.408 -1.224 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001274439289 791482348 /nfs/dbraw/zinc/48/23/48/791482348.db2.gz RVNWQMKUYZHYBT-FYDYADQUSA-N 2 1 338.408 -1.224 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001274439290 791482988 /nfs/dbraw/zinc/48/29/88/791482988.db2.gz RVNWQMKUYZHYBT-UIIMQBOASA-N 2 1 338.408 -1.224 20 0 EAADMP O=C(CC[NH+]1CCOCC1)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001274439291 791482793 /nfs/dbraw/zinc/48/27/93/791482793.db2.gz RVNWQMKUYZHYBT-ZIYVKSGCSA-N 2 1 338.408 -1.224 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274508857 791486104 /nfs/dbraw/zinc/48/61/04/791486104.db2.gz DFLCAYYYVNZPSL-AWEZNQCLSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274508857 791486101 /nfs/dbraw/zinc/48/61/01/791486101.db2.gz DFLCAYYYVNZPSL-AWEZNQCLSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274508858 791486477 /nfs/dbraw/zinc/48/64/77/791486477.db2.gz DFLCAYYYVNZPSL-CQSZACIVSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274508858 791486467 /nfs/dbraw/zinc/48/64/67/791486467.db2.gz DFLCAYYYVNZPSL-CQSZACIVSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274580853 791495951 /nfs/dbraw/zinc/49/59/51/791495951.db2.gz LYANMSSBOFFTJS-AWEZNQCLSA-N 2 1 329.441 -1.110 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)C1 ZINC001274580854 791495604 /nfs/dbraw/zinc/49/56/04/791495604.db2.gz LYANMSSBOFFTJS-CQSZACIVSA-N 2 1 329.441 -1.110 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603890 791497560 /nfs/dbraw/zinc/49/75/60/791497560.db2.gz JYPBZINXPXRBCS-BBRMVZONSA-N 2 1 343.424 -1.367 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603891 791496926 /nfs/dbraw/zinc/49/69/26/791496926.db2.gz JYPBZINXPXRBCS-CJNGLKHVSA-N 2 1 343.424 -1.367 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603892 791497771 /nfs/dbraw/zinc/49/77/71/791497771.db2.gz JYPBZINXPXRBCS-CZUORRHYSA-N 2 1 343.424 -1.367 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274603893 791496830 /nfs/dbraw/zinc/49/68/30/791496830.db2.gz JYPBZINXPXRBCS-XJKSGUPXSA-N 2 1 343.424 -1.367 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604370 791498849 /nfs/dbraw/zinc/49/88/49/791498849.db2.gz UFZWXCLNWQKVEE-DOMZBBRYSA-N 2 1 329.397 -1.615 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604371 791498569 /nfs/dbraw/zinc/49/85/69/791498569.db2.gz UFZWXCLNWQKVEE-IUODEOHRSA-N 2 1 329.397 -1.615 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604398 791498830 /nfs/dbraw/zinc/49/88/30/791498830.db2.gz UFZWXCLNWQKVEE-SWLSCSKDSA-N 2 1 329.397 -1.615 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274604399 791499029 /nfs/dbraw/zinc/49/90/29/791499029.db2.gz UFZWXCLNWQKVEE-WFASDCNBSA-N 2 1 329.397 -1.615 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604738 791498786 /nfs/dbraw/zinc/49/87/86/791498786.db2.gz XGSRQKHVPUUVAG-BLLLJJGKSA-N 2 1 341.408 -1.077 20 0 EAADMP COC(=O)[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604739 791498794 /nfs/dbraw/zinc/49/87/94/791498794.db2.gz XGSRQKHVPUUVAG-LRDDRELGSA-N 2 1 341.408 -1.077 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604740 791498716 /nfs/dbraw/zinc/49/87/16/791498716.db2.gz XGSRQKHVPUUVAG-MLGOLLRUSA-N 2 1 341.408 -1.077 20 0 EAADMP COC(=O)[C@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274604741 791498216 /nfs/dbraw/zinc/49/82/16/791498216.db2.gz XGSRQKHVPUUVAG-WBMJQRKESA-N 2 1 341.408 -1.077 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001275801353 791553681 /nfs/dbraw/zinc/55/36/81/791553681.db2.gz NRGSLFZQSCOLGW-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001275801353 791553676 /nfs/dbraw/zinc/55/36/76/791553676.db2.gz NRGSLFZQSCOLGW-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801353 791553671 /nfs/dbraw/zinc/55/36/71/791553671.db2.gz NRGSLFZQSCOLGW-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801353 791553664 /nfs/dbraw/zinc/55/36/64/791553664.db2.gz NRGSLFZQSCOLGW-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001275801354 791554411 /nfs/dbraw/zinc/55/44/11/791554411.db2.gz NRGSLFZQSCOLGW-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001275801354 791554402 /nfs/dbraw/zinc/55/44/02/791554402.db2.gz NRGSLFZQSCOLGW-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801354 791554394 /nfs/dbraw/zinc/55/43/94/791554394.db2.gz NRGSLFZQSCOLGW-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801354 791554384 /nfs/dbraw/zinc/55/43/84/791554384.db2.gz NRGSLFZQSCOLGW-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001275801355 791554141 /nfs/dbraw/zinc/55/41/41/791554141.db2.gz NRGSLFZQSCOLGW-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001275801355 791554133 /nfs/dbraw/zinc/55/41/33/791554133.db2.gz NRGSLFZQSCOLGW-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801355 791554125 /nfs/dbraw/zinc/55/41/25/791554125.db2.gz NRGSLFZQSCOLGW-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801355 791554120 /nfs/dbraw/zinc/55/41/20/791554120.db2.gz NRGSLFZQSCOLGW-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)CCN1C(=O)CCC1=O ZINC001275801356 791554753 /nfs/dbraw/zinc/55/47/53/791554753.db2.gz NRGSLFZQSCOLGW-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001275801356 791554752 /nfs/dbraw/zinc/55/47/52/791554752.db2.gz NRGSLFZQSCOLGW-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801356 791554742 /nfs/dbraw/zinc/55/47/42/791554742.db2.gz NRGSLFZQSCOLGW-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)CCN1C(=O)CCC1=O ZINC001275801356 791554733 /nfs/dbraw/zinc/55/47/33/791554733.db2.gz NRGSLFZQSCOLGW-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001276002936 791563583 /nfs/dbraw/zinc/56/35/83/791563583.db2.gz OIRBQBVWQDLUSE-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001276002936 791563577 /nfs/dbraw/zinc/56/35/77/791563577.db2.gz OIRBQBVWQDLUSE-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002936 791563571 /nfs/dbraw/zinc/56/35/71/791563571.db2.gz OIRBQBVWQDLUSE-NEPJUHHUSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001276002937 791564114 /nfs/dbraw/zinc/56/41/14/791564114.db2.gz OIRBQBVWQDLUSE-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001276002937 791564107 /nfs/dbraw/zinc/56/41/07/791564107.db2.gz OIRBQBVWQDLUSE-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002937 791564097 /nfs/dbraw/zinc/56/40/97/791564097.db2.gz OIRBQBVWQDLUSE-NWDGAFQWSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001276002939 791563893 /nfs/dbraw/zinc/56/38/93/791563893.db2.gz OIRBQBVWQDLUSE-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001276002939 791563884 /nfs/dbraw/zinc/56/38/84/791563884.db2.gz OIRBQBVWQDLUSE-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002939 791563879 /nfs/dbraw/zinc/56/38/79/791563879.db2.gz OIRBQBVWQDLUSE-RYUDHWBXSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)CCN1C(=O)CNC1=O ZINC001276002941 791563694 /nfs/dbraw/zinc/56/36/94/791563694.db2.gz OIRBQBVWQDLUSE-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001276002941 791563688 /nfs/dbraw/zinc/56/36/88/791563688.db2.gz OIRBQBVWQDLUSE-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)CCN1C(=O)CNC1=O ZINC001276002941 791563682 /nfs/dbraw/zinc/56/36/82/791563682.db2.gz OIRBQBVWQDLUSE-VXGBXAGGSA-N 2 1 325.413 -1.074 20 0 EAADMP CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001276280006 791576499 /nfs/dbraw/zinc/57/64/99/791576499.db2.gz XROFLLMZGPVQBH-CYBMUJFWSA-N 2 1 340.424 -1.048 20 0 EAADMP CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CC[NH+]1CCOCC1 ZINC001276280007 791575894 /nfs/dbraw/zinc/57/58/94/791575894.db2.gz XROFLLMZGPVQBH-ZDUSSCGKSA-N 2 1 340.424 -1.048 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001276393887 793033753 /nfs/dbraw/zinc/03/37/53/793033753.db2.gz UQUPTBYYOAXXAR-LLVKDONJSA-N 2 1 329.401 -1.660 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001276393887 793033738 /nfs/dbraw/zinc/03/37/38/793033738.db2.gz UQUPTBYYOAXXAR-LLVKDONJSA-N 2 1 329.401 -1.660 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001276393888 793034548 /nfs/dbraw/zinc/03/45/48/793034548.db2.gz UQUPTBYYOAXXAR-NSHDSACASA-N 2 1 329.401 -1.660 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001276393888 793034536 /nfs/dbraw/zinc/03/45/36/793034536.db2.gz UQUPTBYYOAXXAR-NSHDSACASA-N 2 1 329.401 -1.660 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562863 793774744 /nfs/dbraw/zinc/77/47/44/793774744.db2.gz IEEJNZKELHDVQH-CHWSQXEVSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562863 793774735 /nfs/dbraw/zinc/77/47/35/793774735.db2.gz IEEJNZKELHDVQH-CHWSQXEVSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562864 793774078 /nfs/dbraw/zinc/77/40/78/793774078.db2.gz IEEJNZKELHDVQH-OLZOCXBDSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562864 793774071 /nfs/dbraw/zinc/77/40/71/793774071.db2.gz IEEJNZKELHDVQH-OLZOCXBDSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562865 793773902 /nfs/dbraw/zinc/77/39/02/793773902.db2.gz IEEJNZKELHDVQH-QWHCGFSZSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562865 793773895 /nfs/dbraw/zinc/77/38/95/793773895.db2.gz IEEJNZKELHDVQH-QWHCGFSZSA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562866 793774606 /nfs/dbraw/zinc/77/46/06/793774606.db2.gz IEEJNZKELHDVQH-STQMWFEESA-N 2 1 348.469 -1.649 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C2CC2)C1 ZINC001276562866 793774603 /nfs/dbraw/zinc/77/46/03/793774603.db2.gz IEEJNZKELHDVQH-STQMWFEESA-N 2 1 348.469 -1.649 20 0 EAADMP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277157385 794505055 /nfs/dbraw/zinc/50/50/55/794505055.db2.gz YKRCOHUIORQMMP-GHMZBOCLSA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277157385 794505048 /nfs/dbraw/zinc/50/50/48/794505048.db2.gz YKRCOHUIORQMMP-GHMZBOCLSA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277157386 794505428 /nfs/dbraw/zinc/50/54/28/794505428.db2.gz YKRCOHUIORQMMP-MNOVXSKESA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277157386 794505424 /nfs/dbraw/zinc/50/54/24/794505424.db2.gz YKRCOHUIORQMMP-MNOVXSKESA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277157387 794504879 /nfs/dbraw/zinc/50/48/79/794504879.db2.gz YKRCOHUIORQMMP-QWRGUYRKSA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277157387 794504871 /nfs/dbraw/zinc/50/48/71/794504871.db2.gz YKRCOHUIORQMMP-QWRGUYRKSA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277157388 794505643 /nfs/dbraw/zinc/50/56/43/794505643.db2.gz YKRCOHUIORQMMP-WDEREUQCSA-N 2 1 329.401 -1.614 20 0 EAADMP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277157388 794505635 /nfs/dbraw/zinc/50/56/35/794505635.db2.gz YKRCOHUIORQMMP-WDEREUQCSA-N 2 1 329.401 -1.614 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252274 794519107 /nfs/dbraw/zinc/51/91/07/794519107.db2.gz GZMNRBZPXCEDTB-NEPJUHHUSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252274 794519100 /nfs/dbraw/zinc/51/91/00/794519100.db2.gz GZMNRBZPXCEDTB-NEPJUHHUSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252277 794520325 /nfs/dbraw/zinc/52/03/25/794520325.db2.gz GZMNRBZPXCEDTB-NWDGAFQWSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252277 794520318 /nfs/dbraw/zinc/52/03/18/794520318.db2.gz GZMNRBZPXCEDTB-NWDGAFQWSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252279 794520371 /nfs/dbraw/zinc/52/03/71/794520371.db2.gz GZMNRBZPXCEDTB-RYUDHWBXSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252279 794520362 /nfs/dbraw/zinc/52/03/62/794520362.db2.gz GZMNRBZPXCEDTB-RYUDHWBXSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252280 794520195 /nfs/dbraw/zinc/52/01/95/794520195.db2.gz GZMNRBZPXCEDTB-VXGBXAGGSA-N 2 1 338.408 -1.249 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001277252280 794520191 /nfs/dbraw/zinc/52/01/91/794520191.db2.gz GZMNRBZPXCEDTB-VXGBXAGGSA-N 2 1 338.408 -1.249 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476244 794585621 /nfs/dbraw/zinc/58/56/21/794585621.db2.gz RYHHYLQBTIILBX-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476244 794585618 /nfs/dbraw/zinc/58/56/18/794585618.db2.gz RYHHYLQBTIILBX-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[N@@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476244 794585615 /nfs/dbraw/zinc/58/56/15/794585615.db2.gz RYHHYLQBTIILBX-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476245 794585692 /nfs/dbraw/zinc/58/56/92/794585692.db2.gz RYHHYLQBTIILBX-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476245 794585687 /nfs/dbraw/zinc/58/56/87/794585687.db2.gz RYHHYLQBTIILBX-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP C[N@@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476245 794585684 /nfs/dbraw/zinc/58/56/84/794585684.db2.gz RYHHYLQBTIILBX-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476246 794585901 /nfs/dbraw/zinc/58/59/01/794585901.db2.gz RYHHYLQBTIILBX-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476246 794585895 /nfs/dbraw/zinc/58/58/95/794585895.db2.gz RYHHYLQBTIILBX-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP C[N@@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC001277476246 794585889 /nfs/dbraw/zinc/58/58/89/794585889.db2.gz RYHHYLQBTIILBX-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476247 794586049 /nfs/dbraw/zinc/58/60/49/794586049.db2.gz RYHHYLQBTIILBX-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476247 794586043 /nfs/dbraw/zinc/58/60/43/794586043.db2.gz RYHHYLQBTIILBX-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP C[N@@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC001277476247 794586036 /nfs/dbraw/zinc/58/60/36/794586036.db2.gz RYHHYLQBTIILBX-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC001277504409 794590227 /nfs/dbraw/zinc/59/02/27/794590227.db2.gz WHQGJEMPKBTENG-KBPBESRZSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC001277504409 794590221 /nfs/dbraw/zinc/59/02/21/794590221.db2.gz WHQGJEMPKBTENG-KBPBESRZSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(=O)N4CCOCC4)CC3)[C@@H]2C1 ZINC001277504412 794590530 /nfs/dbraw/zinc/59/05/30/794590530.db2.gz WHQGJEMPKBTENG-ZIAGYGMSSA-N 2 1 336.436 -1.013 20 0 EAADMP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC(=O)N4CCOCC4)CC3)[C@@H]2C1 ZINC001277504412 794590527 /nfs/dbraw/zinc/59/05/27/794590527.db2.gz WHQGJEMPKBTENG-ZIAGYGMSSA-N 2 1 336.436 -1.013 20 0 EAADMP C[NH+](CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC(N)=O ZINC001277514134 794593526 /nfs/dbraw/zinc/59/35/26/794593526.db2.gz JEAHMHMXVAUJCH-LLVKDONJSA-N 2 1 329.401 -1.660 20 0 EAADMP C[N@@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001277514134 794593519 /nfs/dbraw/zinc/59/35/19/794593519.db2.gz JEAHMHMXVAUJCH-LLVKDONJSA-N 2 1 329.401 -1.660 20 0 EAADMP C[N@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001277514134 794593517 /nfs/dbraw/zinc/59/35/17/794593517.db2.gz JEAHMHMXVAUJCH-LLVKDONJSA-N 2 1 329.401 -1.660 20 0 EAADMP CN(CCOCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(N)=O ZINC001277514134 794593508 /nfs/dbraw/zinc/59/35/08/794593508.db2.gz JEAHMHMXVAUJCH-LLVKDONJSA-N 2 1 329.401 -1.660 20 0 EAADMP CN1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)CC1 ZINC001277631091 794596914 /nfs/dbraw/zinc/59/69/14/794596914.db2.gz DDKDFQAMVVDIIE-GJZGRUSLSA-N 2 1 349.479 -1.097 20 0 EAADMP CN1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)CC1 ZINC001277631091 794596908 /nfs/dbraw/zinc/59/69/08/794596908.db2.gz DDKDFQAMVVDIIE-GJZGRUSLSA-N 2 1 349.479 -1.097 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(CC(=O)N3CC[NH+](C)CC3)C[C@H]21 ZINC001277631716 794598426 /nfs/dbraw/zinc/59/84/26/794598426.db2.gz LYOTXGSEYPXZQW-CVEARBPZSA-N 2 1 339.484 -1.293 20 0 EAADMP C[NH+](C)CCN1CCO[C@H]2CN(CC(=O)N3CC[NH+](C)CC3)C[C@@H]21 ZINC001277631717 794598153 /nfs/dbraw/zinc/59/81/53/794598153.db2.gz LYOTXGSEYPXZQW-HOTGVXAUSA-N 2 1 339.484 -1.293 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2CN(CC(=O)N3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001277632021 794598412 /nfs/dbraw/zinc/59/84/12/794598412.db2.gz OTOWPPRHPXNWSX-IYBDPMFKSA-N 2 1 339.484 -1.293 20 0 EAADMP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CC(=O)N1CC[NH+](C)CC1 ZINC001277632529 794598800 /nfs/dbraw/zinc/59/88/00/794598800.db2.gz WJLZAGFSCNQFJI-IYBDPMFKSA-N 2 1 339.484 -1.293 20 0 EAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780460 794601835 /nfs/dbraw/zinc/60/18/35/794601835.db2.gz GAJAXBRLQJYGRX-NEPJUHHUSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780460 794601832 /nfs/dbraw/zinc/60/18/32/794601832.db2.gz GAJAXBRLQJYGRX-NEPJUHHUSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780461 794601617 /nfs/dbraw/zinc/60/16/17/794601617.db2.gz GAJAXBRLQJYGRX-NWDGAFQWSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780461 794601610 /nfs/dbraw/zinc/60/16/10/794601610.db2.gz GAJAXBRLQJYGRX-NWDGAFQWSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780463 794602109 /nfs/dbraw/zinc/60/21/09/794602109.db2.gz GAJAXBRLQJYGRX-RYUDHWBXSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780463 794602106 /nfs/dbraw/zinc/60/21/06/794602106.db2.gz GAJAXBRLQJYGRX-RYUDHWBXSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780464 794601579 /nfs/dbraw/zinc/60/15/79/794601579.db2.gz GAJAXBRLQJYGRX-VXGBXAGGSA-N 2 1 336.458 -1.697 20 0 EAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCNS(C)(=O)=O ZINC001277780464 794601570 /nfs/dbraw/zinc/60/15/70/794601570.db2.gz GAJAXBRLQJYGRX-VXGBXAGGSA-N 2 1 336.458 -1.697 20 0 EAADMP CN(C)C(=O)CNC(=O)C1=NO[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822196 794611353 /nfs/dbraw/zinc/61/13/53/794611353.db2.gz RSOKQMKVPGOVKN-QWHCGFSZSA-N 2 1 337.424 -1.123 20 0 EAADMP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001277957909 794641422 /nfs/dbraw/zinc/64/14/22/794641422.db2.gz FGHLUNXEWMWONZ-BFHYXJOUSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001277957914 794640916 /nfs/dbraw/zinc/64/09/16/794640916.db2.gz FGHLUNXEWMWONZ-IHRRRGAJSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]12 ZINC001277957919 794641531 /nfs/dbraw/zinc/64/15/31/794641531.db2.gz FGHLUNXEWMWONZ-MGPQQGTHSA-N 2 1 338.452 -1.032 20 0 EAADMP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001277957925 794640882 /nfs/dbraw/zinc/64/08/82/794640882.db2.gz FGHLUNXEWMWONZ-RDBSUJKOSA-N 2 1 338.452 -1.032 20 0 EAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001278014329 794646731 /nfs/dbraw/zinc/64/67/31/794646731.db2.gz YKFMUTMBFGVBBL-KBPBESRZSA-N 2 1 337.468 -1.194 20 0 EAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001278014329 794646727 /nfs/dbraw/zinc/64/67/27/794646727.db2.gz YKFMUTMBFGVBBL-KBPBESRZSA-N 2 1 337.468 -1.194 20 0 EAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001278014332 794646642 /nfs/dbraw/zinc/64/66/42/794646642.db2.gz YKFMUTMBFGVBBL-ZIAGYGMSSA-N 2 1 337.468 -1.194 20 0 EAADMP CNC(=O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001278014332 794646639 /nfs/dbraw/zinc/64/66/39/794646639.db2.gz YKFMUTMBFGVBBL-ZIAGYGMSSA-N 2 1 337.468 -1.194 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059632 794647823 /nfs/dbraw/zinc/64/78/23/794647823.db2.gz ABISZYIPBBSQMS-CHWSQXEVSA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059632 794647815 /nfs/dbraw/zinc/64/78/15/794647815.db2.gz ABISZYIPBBSQMS-CHWSQXEVSA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059633 794648212 /nfs/dbraw/zinc/64/82/12/794648212.db2.gz ABISZYIPBBSQMS-OLZOCXBDSA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059633 794648209 /nfs/dbraw/zinc/64/82/09/794648209.db2.gz ABISZYIPBBSQMS-OLZOCXBDSA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059634 794647524 /nfs/dbraw/zinc/64/75/24/794647524.db2.gz ABISZYIPBBSQMS-QWHCGFSZSA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059634 794647521 /nfs/dbraw/zinc/64/75/21/794647521.db2.gz ABISZYIPBBSQMS-QWHCGFSZSA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059635 794647949 /nfs/dbraw/zinc/64/79/49/794647949.db2.gz ABISZYIPBBSQMS-STQMWFEESA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C2CC2)C1 ZINC001278059635 794647947 /nfs/dbraw/zinc/64/79/47/794647947.db2.gz ABISZYIPBBSQMS-STQMWFEESA-N 2 1 328.413 -2.090 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278138455 794654528 /nfs/dbraw/zinc/65/45/28/794654528.db2.gz MDXHBWJJAAALKL-NEPJUHHUSA-N 2 1 336.458 -1.913 20 0 EAADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001278138457 794654323 /nfs/dbraw/zinc/65/43/23/794654323.db2.gz MDXHBWJJAAALKL-RYUDHWBXSA-N 2 1 336.458 -1.913 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NC[C@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278194247 794660299 /nfs/dbraw/zinc/66/02/99/794660299.db2.gz HGHQEWBXENPAGD-GFCCVEGCSA-N 2 1 337.380 -1.593 20 0 EAADMP Cc1[nH+]ccn1CC(=O)NC[C@@H](CO)[NH2+]CCN1C(=O)CCC1=O ZINC001278194248 794660541 /nfs/dbraw/zinc/66/05/41/794660541.db2.gz HGHQEWBXENPAGD-LBPRGKRZSA-N 2 1 337.380 -1.593 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195492 794661325 /nfs/dbraw/zinc/66/13/25/794661325.db2.gz TUWDXGFVAFKIDK-GHMZBOCLSA-N 2 1 327.385 -2.443 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195497 794661405 /nfs/dbraw/zinc/66/14/05/794661405.db2.gz TUWDXGFVAFKIDK-MNOVXSKESA-N 2 1 327.385 -2.443 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195499 794661515 /nfs/dbraw/zinc/66/15/15/794661515.db2.gz TUWDXGFVAFKIDK-QWRGUYRKSA-N 2 1 327.385 -2.443 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001278195500 794662232 /nfs/dbraw/zinc/66/22/32/794662232.db2.gz TUWDXGFVAFKIDK-WDEREUQCSA-N 2 1 327.385 -2.443 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278742874 794697984 /nfs/dbraw/zinc/69/79/84/794697984.db2.gz HVNUCVRNAOHVOD-CABCVRRESA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278742874 794697977 /nfs/dbraw/zinc/69/79/77/794697977.db2.gz HVNUCVRNAOHVOD-CABCVRRESA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278742875 794697668 /nfs/dbraw/zinc/69/76/68/794697668.db2.gz HVNUCVRNAOHVOD-GJZGRUSLSA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278742875 794697662 /nfs/dbraw/zinc/69/76/62/794697662.db2.gz HVNUCVRNAOHVOD-GJZGRUSLSA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278742876 794697698 /nfs/dbraw/zinc/69/76/98/794697698.db2.gz HVNUCVRNAOHVOD-HUUCEWRRSA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278742876 794697694 /nfs/dbraw/zinc/69/76/94/794697694.db2.gz HVNUCVRNAOHVOD-HUUCEWRRSA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278742877 794697889 /nfs/dbraw/zinc/69/78/89/794697889.db2.gz HVNUCVRNAOHVOD-LSDHHAIUSA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278742877 794697870 /nfs/dbraw/zinc/69/78/70/794697870.db2.gz HVNUCVRNAOHVOD-LSDHHAIUSA-N 2 1 339.440 -1.298 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278744419 794697194 /nfs/dbraw/zinc/69/71/94/794697194.db2.gz UFJODEBDKUWIKD-CHWSQXEVSA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278744419 794697190 /nfs/dbraw/zinc/69/71/90/794697190.db2.gz UFJODEBDKUWIKD-CHWSQXEVSA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278744420 794697731 /nfs/dbraw/zinc/69/77/31/794697731.db2.gz UFJODEBDKUWIKD-OLZOCXBDSA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278744420 794697724 /nfs/dbraw/zinc/69/77/24/794697724.db2.gz UFJODEBDKUWIKD-OLZOCXBDSA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001278744421 794697825 /nfs/dbraw/zinc/69/78/25/794697825.db2.gz UFJODEBDKUWIKD-QWHCGFSZSA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001278744421 794697819 /nfs/dbraw/zinc/69/78/19/794697819.db2.gz UFJODEBDKUWIKD-QWHCGFSZSA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001278744422 794697424 /nfs/dbraw/zinc/69/74/24/794697424.db2.gz UFJODEBDKUWIKD-STQMWFEESA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001278744422 794697416 /nfs/dbraw/zinc/69/74/16/794697416.db2.gz UFJODEBDKUWIKD-STQMWFEESA-N 2 1 343.428 -2.249 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001278773627 794708246 /nfs/dbraw/zinc/70/82/46/794708246.db2.gz IIESDWQMALESGK-KBPBESRZSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001278773628 794706997 /nfs/dbraw/zinc/70/69/97/794706997.db2.gz IIESDWQMALESGK-KGLIPLIRSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001278773629 794707570 /nfs/dbraw/zinc/70/75/70/794707570.db2.gz IIESDWQMALESGK-UONOGXRCSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCCC[N@H+]1C ZINC001278773630 794707501 /nfs/dbraw/zinc/70/75/01/794707501.db2.gz IIESDWQMALESGK-ZIAGYGMSSA-N 2 1 341.456 -1.095 20 0 EAADMP CN(CCOCC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001279430186 794897140 /nfs/dbraw/zinc/89/71/40/794897140.db2.gz WPXPMDPAEJEJKU-GFCCVEGCSA-N 2 1 325.417 -1.131 20 0 EAADMP CN(CCOCC[NH2+]Cc1nnnn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279430186 794897131 /nfs/dbraw/zinc/89/71/31/794897131.db2.gz WPXPMDPAEJEJKU-GFCCVEGCSA-N 2 1 325.417 -1.131 20 0 EAADMP Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001279680477 794903272 /nfs/dbraw/zinc/90/32/72/794903272.db2.gz OGIOWAKCAMTESK-HNNXBMFYSA-N 2 1 339.440 -1.296 20 0 EAADMP Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001279680477 794903266 /nfs/dbraw/zinc/90/32/66/794903266.db2.gz OGIOWAKCAMTESK-HNNXBMFYSA-N 2 1 339.440 -1.296 20 0 EAADMP Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001279680478 794903959 /nfs/dbraw/zinc/90/39/59/794903959.db2.gz OGIOWAKCAMTESK-OAHLLOKOSA-N 2 1 339.440 -1.296 20 0 EAADMP Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001279680478 794903954 /nfs/dbraw/zinc/90/39/54/794903954.db2.gz OGIOWAKCAMTESK-OAHLLOKOSA-N 2 1 339.440 -1.296 20 0 EAADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)CC[N@H+]1C ZINC001279717201 794905423 /nfs/dbraw/zinc/90/54/23/794905423.db2.gz KHDBFVJLHRGQLA-VXGBXAGGSA-N 2 1 325.417 -1.539 20 0 EAADMP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]Cc2nnnn2C)CC[N@@H+]1C ZINC001279717201 794905419 /nfs/dbraw/zinc/90/54/19/794905419.db2.gz KHDBFVJLHRGQLA-VXGBXAGGSA-N 2 1 325.417 -1.539 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001279791277 794907552 /nfs/dbraw/zinc/90/75/52/794907552.db2.gz DHBLZBSFPBLFOC-UONOGXRCSA-N 2 1 347.481 -1.074 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001279791278 794906874 /nfs/dbraw/zinc/90/68/74/794906874.db2.gz DHBLZBSFPBLFOC-ZIAGYGMSSA-N 2 1 347.481 -1.074 20 0 EAADMP Cn1nnnc1C[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001279791787 794907484 /nfs/dbraw/zinc/90/74/84/794907484.db2.gz KLZJXQPYFHVAHX-UHFFFAOYSA-N 2 1 339.444 -1.005 20 0 EAADMP C[N@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1CCNC1=O ZINC001279791905 794906857 /nfs/dbraw/zinc/90/68/57/794906857.db2.gz LBENYSRCDQNWOM-CYBMUJFWSA-N 2 1 327.429 -1.484 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001279831542 794908426 /nfs/dbraw/zinc/90/84/26/794908426.db2.gz ZZGHYWXYUANJSV-AWEZNQCLSA-N 2 1 326.441 -1.029 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)C1 ZINC001279831544 794908112 /nfs/dbraw/zinc/90/81/12/794908112.db2.gz ZZGHYWXYUANJSV-CQSZACIVSA-N 2 1 326.441 -1.029 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]CCN2CCNC2=O)C1 ZINC001279901797 794911414 /nfs/dbraw/zinc/91/14/14/794911414.db2.gz RVWAVLBKYRCSKV-CYBMUJFWSA-N 2 1 327.429 -1.626 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]CCN2CCNC2=O)C1 ZINC001279901798 794911828 /nfs/dbraw/zinc/91/18/28/794911828.db2.gz RVWAVLBKYRCSKV-ZDUSSCGKSA-N 2 1 327.429 -1.626 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001279901924 785489145 /nfs/dbraw/zinc/48/91/45/785489145.db2.gz XCFLZJPCCZQNED-NEPJUHHUSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001279901925 785489358 /nfs/dbraw/zinc/48/93/58/785489358.db2.gz XCFLZJPCCZQNED-NWDGAFQWSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001279901926 785488867 /nfs/dbraw/zinc/48/88/67/785488867.db2.gz XCFLZJPCCZQNED-RYUDHWBXSA-N 2 1 326.397 -1.846 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001279901927 785489562 /nfs/dbraw/zinc/48/95/62/785489562.db2.gz XCFLZJPCCZQNED-VXGBXAGGSA-N 2 1 326.397 -1.846 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001280659170 794933419 /nfs/dbraw/zinc/93/34/19/794933419.db2.gz IGZGEDDURTUKNO-CHWSQXEVSA-N 2 1 340.424 -1.050 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001280659172 794934073 /nfs/dbraw/zinc/93/40/73/794934073.db2.gz IGZGEDDURTUKNO-OLZOCXBDSA-N 2 1 340.424 -1.050 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001280659173 794933687 /nfs/dbraw/zinc/93/36/87/794933687.db2.gz IGZGEDDURTUKNO-QWHCGFSZSA-N 2 1 340.424 -1.050 20 0 EAADMP CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001280659174 794933638 /nfs/dbraw/zinc/93/36/38/794933638.db2.gz IGZGEDDURTUKNO-STQMWFEESA-N 2 1 340.424 -1.050 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682016 791482904 /nfs/dbraw/zinc/48/29/04/791482904.db2.gz MHGWXVXAESWYQP-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682016 791482898 /nfs/dbraw/zinc/48/28/98/791482898.db2.gz MHGWXVXAESWYQP-CABCVRRESA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682017 791483085 /nfs/dbraw/zinc/48/30/85/791483085.db2.gz MHGWXVXAESWYQP-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682017 791483079 /nfs/dbraw/zinc/48/30/79/791483079.db2.gz MHGWXVXAESWYQP-GJZGRUSLSA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682018 791482330 /nfs/dbraw/zinc/48/23/30/791482330.db2.gz MHGWXVXAESWYQP-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682018 791482324 /nfs/dbraw/zinc/48/23/24/791482324.db2.gz MHGWXVXAESWYQP-HUUCEWRRSA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682019 791482429 /nfs/dbraw/zinc/48/24/29/791482429.db2.gz MHGWXVXAESWYQP-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001280682019 791482428 /nfs/dbraw/zinc/48/24/28/791482428.db2.gz MHGWXVXAESWYQP-LSDHHAIUSA-N 2 1 345.440 -1.467 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117746 794981556 /nfs/dbraw/zinc/98/15/56/794981556.db2.gz PJIFZEHMRJZDLD-GDBMZVCRSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117746 794981550 /nfs/dbraw/zinc/98/15/50/794981550.db2.gz PJIFZEHMRJZDLD-GDBMZVCRSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117752 794981119 /nfs/dbraw/zinc/98/11/19/794981119.db2.gz PJIFZEHMRJZDLD-GOEBONIOSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117752 794981115 /nfs/dbraw/zinc/98/11/15/794981115.db2.gz PJIFZEHMRJZDLD-GOEBONIOSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117810 794981005 /nfs/dbraw/zinc/98/10/05/794981005.db2.gz PJIFZEHMRJZDLD-HOCLYGCPSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117810 794980999 /nfs/dbraw/zinc/98/09/99/794980999.db2.gz PJIFZEHMRJZDLD-HOCLYGCPSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117811 794981186 /nfs/dbraw/zinc/98/11/86/794981186.db2.gz PJIFZEHMRJZDLD-ZBFHGGJFSA-N 2 1 345.440 -1.731 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001281117811 794981180 /nfs/dbraw/zinc/98/11/80/794981180.db2.gz PJIFZEHMRJZDLD-ZBFHGGJFSA-N 2 1 345.440 -1.731 20 0 EAADMP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](CCOCCO)C2)CC1 ZINC001281588003 795022258 /nfs/dbraw/zinc/02/22/58/795022258.db2.gz VFNDQLNQXBTBQG-UHFFFAOYSA-N 2 1 340.468 -1.081 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001281679517 795031079 /nfs/dbraw/zinc/03/10/79/795031079.db2.gz UMRHXCUZOIMRGS-ZIAGYGMSSA-N 2 1 344.456 -1.407 20 0 EAADMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](CCOCCO)CC2)C1 ZINC001281821289 795039455 /nfs/dbraw/zinc/03/94/55/795039455.db2.gz RUKZMJQTKQRVKL-AWEZNQCLSA-N 2 1 329.441 -1.110 20 0 EAADMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](CCOCCO)CC2)C1 ZINC001281821290 795039040 /nfs/dbraw/zinc/03/90/40/795039040.db2.gz RUKZMJQTKQRVKL-CQSZACIVSA-N 2 1 329.441 -1.110 20 0 EAADMP C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001281918384 795049031 /nfs/dbraw/zinc/04/90/31/795049031.db2.gz WUTBIFGGQWAADB-MCIONIFRSA-N 2 1 342.440 -1.653 20 0 EAADMP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001282885625 788387821 /nfs/dbraw/zinc/38/78/21/788387821.db2.gz NAACJRFTZDAEEN-ZSOGYDGISA-N 2 1 349.435 -1.072 20 0 EAADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001283032838 788411501 /nfs/dbraw/zinc/41/15/01/788411501.db2.gz SFMPASKVRQBPAR-AVGNSLFASA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001283032838 788411498 /nfs/dbraw/zinc/41/14/98/788411498.db2.gz SFMPASKVRQBPAR-AVGNSLFASA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001283032839 788411633 /nfs/dbraw/zinc/41/16/33/788411633.db2.gz SFMPASKVRQBPAR-JHJVBQTASA-N 2 1 333.454 -1.154 20 0 EAADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001283032839 788411630 /nfs/dbraw/zinc/41/16/30/788411630.db2.gz SFMPASKVRQBPAR-JHJVBQTASA-N 2 1 333.454 -1.154 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283150737 788433037 /nfs/dbraw/zinc/43/30/37/788433037.db2.gz MWLUTEQUQSFMCX-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283150737 788433031 /nfs/dbraw/zinc/43/30/31/788433031.db2.gz MWLUTEQUQSFMCX-NEPJUHHUSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283150739 788433188 /nfs/dbraw/zinc/43/31/88/788433188.db2.gz MWLUTEQUQSFMCX-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283150739 788433183 /nfs/dbraw/zinc/43/31/83/788433183.db2.gz MWLUTEQUQSFMCX-NWDGAFQWSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283150741 788432777 /nfs/dbraw/zinc/43/27/77/788432777.db2.gz MWLUTEQUQSFMCX-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283150741 788432771 /nfs/dbraw/zinc/43/27/71/788432771.db2.gz MWLUTEQUQSFMCX-RYUDHWBXSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283150743 788433484 /nfs/dbraw/zinc/43/34/84/788433484.db2.gz MWLUTEQUQSFMCX-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283150743 788433479 /nfs/dbraw/zinc/43/34/79/788433479.db2.gz MWLUTEQUQSFMCX-VXGBXAGGSA-N 2 1 343.428 -1.353 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001283405046 788456379 /nfs/dbraw/zinc/45/63/79/788456379.db2.gz BXXIMYRLAMQKJA-GFCCVEGCSA-N 2 1 343.428 -1.399 20 0 EAADMP CNC(=O)NC(=O)C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283405046 788456373 /nfs/dbraw/zinc/45/63/73/788456373.db2.gz BXXIMYRLAMQKJA-GFCCVEGCSA-N 2 1 343.428 -1.399 20 0 EAADMP CNC(=O)NC(=O)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283405046 788456366 /nfs/dbraw/zinc/45/63/66/788456366.db2.gz BXXIMYRLAMQKJA-GFCCVEGCSA-N 2 1 343.428 -1.399 20 0 EAADMP CNC(=O)NC(=O)C[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283405046 788456361 /nfs/dbraw/zinc/45/63/61/788456361.db2.gz BXXIMYRLAMQKJA-GFCCVEGCSA-N 2 1 343.428 -1.399 20 0 EAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592461 788470105 /nfs/dbraw/zinc/47/01/05/788470105.db2.gz UVCMEVNAIOXRAX-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592461 788470102 /nfs/dbraw/zinc/47/01/02/788470102.db2.gz UVCMEVNAIOXRAX-CHWSQXEVSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592463 788469796 /nfs/dbraw/zinc/46/97/96/788469796.db2.gz UVCMEVNAIOXRAX-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592463 788469791 /nfs/dbraw/zinc/46/97/91/788469791.db2.gz UVCMEVNAIOXRAX-OLZOCXBDSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592465 788470075 /nfs/dbraw/zinc/47/00/75/788470075.db2.gz UVCMEVNAIOXRAX-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592465 788470072 /nfs/dbraw/zinc/47/00/72/788470072.db2.gz UVCMEVNAIOXRAX-QWHCGFSZSA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592468 788470041 /nfs/dbraw/zinc/47/00/41/788470041.db2.gz UVCMEVNAIOXRAX-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CCN1C(=O)CCC1=O ZINC001283592468 788470038 /nfs/dbraw/zinc/47/00/38/788470038.db2.gz UVCMEVNAIOXRAX-STQMWFEESA-N 2 1 340.424 -1.098 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283743206 788481153 /nfs/dbraw/zinc/48/11/53/788481153.db2.gz REZQCKWLCGLUKL-CHWSQXEVSA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283743206 788481148 /nfs/dbraw/zinc/48/11/48/788481148.db2.gz REZQCKWLCGLUKL-CHWSQXEVSA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283743207 788481375 /nfs/dbraw/zinc/48/13/75/788481375.db2.gz REZQCKWLCGLUKL-OLZOCXBDSA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283743207 788481368 /nfs/dbraw/zinc/48/13/68/788481368.db2.gz REZQCKWLCGLUKL-OLZOCXBDSA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283743208 788481275 /nfs/dbraw/zinc/48/12/75/788481275.db2.gz REZQCKWLCGLUKL-QWHCGFSZSA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283743208 788481268 /nfs/dbraw/zinc/48/12/68/788481268.db2.gz REZQCKWLCGLUKL-QWHCGFSZSA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001283743209 788480967 /nfs/dbraw/zinc/48/09/67/788480967.db2.gz REZQCKWLCGLUKL-STQMWFEESA-N 2 1 345.444 -1.909 20 0 EAADMP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001283743209 788480962 /nfs/dbraw/zinc/48/09/62/788480962.db2.gz REZQCKWLCGLUKL-STQMWFEESA-N 2 1 345.444 -1.909 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283771983 788485897 /nfs/dbraw/zinc/48/58/97/788485897.db2.gz MDXHBWJJAAALKL-NWDGAFQWSA-N 2 1 336.458 -1.913 20 0 EAADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNS(C)(=O)=O ZINC001283771984 788485475 /nfs/dbraw/zinc/48/54/75/788485475.db2.gz MDXHBWJJAAALKL-VXGBXAGGSA-N 2 1 336.458 -1.913 20 0 EAADMP C[NH+](C)CCC(=O)N1CC[NH+](CCCNC(=O)CC(N)=O)CC1 ZINC001283816892 788495369 /nfs/dbraw/zinc/49/53/69/788495369.db2.gz COLCSTKPLHDYNX-UHFFFAOYSA-N 2 1 327.429 -1.536 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284397105 788552491 /nfs/dbraw/zinc/55/24/91/788552491.db2.gz BPDWNOZCMGAIFC-KBPBESRZSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284397105 788552485 /nfs/dbraw/zinc/55/24/85/788552485.db2.gz BPDWNOZCMGAIFC-KBPBESRZSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001284397108 788552320 /nfs/dbraw/zinc/55/23/20/788552320.db2.gz BPDWNOZCMGAIFC-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001284397108 788552312 /nfs/dbraw/zinc/55/23/12/788552312.db2.gz BPDWNOZCMGAIFC-KGLIPLIRSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284397111 788552516 /nfs/dbraw/zinc/55/25/16/788552516.db2.gz BPDWNOZCMGAIFC-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284397111 788552513 /nfs/dbraw/zinc/55/25/13/788552513.db2.gz BPDWNOZCMGAIFC-UONOGXRCSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001284397113 788552596 /nfs/dbraw/zinc/55/25/96/788552596.db2.gz BPDWNOZCMGAIFC-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001284397113 788552591 /nfs/dbraw/zinc/55/25/91/788552591.db2.gz BPDWNOZCMGAIFC-ZIAGYGMSSA-N 2 1 342.440 -1.652 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001284405603 788554345 /nfs/dbraw/zinc/55/43/45/788554345.db2.gz VYWZZPMPQGSOLJ-CHWSQXEVSA-N 2 1 340.424 -1.362 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284405604 788553979 /nfs/dbraw/zinc/55/39/79/788553979.db2.gz VYWZZPMPQGSOLJ-OLZOCXBDSA-N 2 1 340.424 -1.362 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001284405606 788554630 /nfs/dbraw/zinc/55/46/30/788554630.db2.gz VYWZZPMPQGSOLJ-QWHCGFSZSA-N 2 1 340.424 -1.362 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284405607 788554502 /nfs/dbraw/zinc/55/45/02/788554502.db2.gz VYWZZPMPQGSOLJ-STQMWFEESA-N 2 1 340.424 -1.362 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284405895 788554430 /nfs/dbraw/zinc/55/44/30/788554430.db2.gz ZGXGWTPMIWGNND-NEPJUHHUSA-N 2 1 341.412 -1.959 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001284405896 788554168 /nfs/dbraw/zinc/55/41/68/788554168.db2.gz ZGXGWTPMIWGNND-NWDGAFQWSA-N 2 1 341.412 -1.959 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCC[N@H+]1C ZINC001284405897 788553835 /nfs/dbraw/zinc/55/38/35/788553835.db2.gz ZGXGWTPMIWGNND-RYUDHWBXSA-N 2 1 341.412 -1.959 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCC[N@H+]1C ZINC001284405898 788554124 /nfs/dbraw/zinc/55/41/24/788554124.db2.gz ZGXGWTPMIWGNND-VXGBXAGGSA-N 2 1 341.412 -1.959 20 0 EAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001284415131 788555760 /nfs/dbraw/zinc/55/57/60/788555760.db2.gz BJHDXUHAGXJDBY-HZSPNIEDSA-N 2 1 341.456 -1.239 20 0 EAADMP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)CC[N@H+]1C ZINC001284415132 788555216 /nfs/dbraw/zinc/55/52/16/788555216.db2.gz BJHDXUHAGXJDBY-MGPQQGTHSA-N 2 1 341.456 -1.239 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447621 788561247 /nfs/dbraw/zinc/56/12/47/788561247.db2.gz HETSBPUIHXGESI-KBPBESRZSA-N 2 1 341.456 -1.238 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447659 788562424 /nfs/dbraw/zinc/56/24/24/788562424.db2.gz HETSBPUIHXGESI-KGLIPLIRSA-N 2 1 341.456 -1.238 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447661 788561784 /nfs/dbraw/zinc/56/17/84/788561784.db2.gz HETSBPUIHXGESI-UONOGXRCSA-N 2 1 341.456 -1.238 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCNC2=O)C1 ZINC001284447663 788561467 /nfs/dbraw/zinc/56/14/67/788561467.db2.gz HETSBPUIHXGESI-ZIAGYGMSSA-N 2 1 341.456 -1.238 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448733 788561947 /nfs/dbraw/zinc/56/19/47/788561947.db2.gz SDNNPFFQAGTGSD-CHWSQXEVSA-N 2 1 335.470 -1.218 20 0 EAADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448734 788562230 /nfs/dbraw/zinc/56/22/30/788562230.db2.gz SDNNPFFQAGTGSD-OLZOCXBDSA-N 2 1 335.470 -1.218 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448735 788561533 /nfs/dbraw/zinc/56/15/33/788561533.db2.gz SDNNPFFQAGTGSD-QWHCGFSZSA-N 2 1 335.470 -1.218 20 0 EAADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C1 ZINC001284448736 788562035 /nfs/dbraw/zinc/56/20/35/788562035.db2.gz SDNNPFFQAGTGSD-STQMWFEESA-N 2 1 335.470 -1.218 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284455529 788562191 /nfs/dbraw/zinc/56/21/91/788562191.db2.gz DZIKQIPIQMVCKT-NEPJUHHUSA-N 2 1 328.413 -1.458 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284455530 788561204 /nfs/dbraw/zinc/56/12/04/788561204.db2.gz DZIKQIPIQMVCKT-NWDGAFQWSA-N 2 1 328.413 -1.458 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001284455531 788562149 /nfs/dbraw/zinc/56/21/49/788562149.db2.gz DZIKQIPIQMVCKT-RYUDHWBXSA-N 2 1 328.413 -1.458 20 0 EAADMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001284455532 788562115 /nfs/dbraw/zinc/56/21/15/788562115.db2.gz DZIKQIPIQMVCKT-VXGBXAGGSA-N 2 1 328.413 -1.458 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001284458101 788563915 /nfs/dbraw/zinc/56/39/15/788563915.db2.gz ZAFWYBPEYGHNFP-CHWSQXEVSA-N 2 1 335.470 -1.218 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001284458102 788563971 /nfs/dbraw/zinc/56/39/71/788563971.db2.gz ZAFWYBPEYGHNFP-OLZOCXBDSA-N 2 1 335.470 -1.218 20 0 EAADMP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001284458103 788563037 /nfs/dbraw/zinc/56/30/37/788563037.db2.gz ZAFWYBPEYGHNFP-QWHCGFSZSA-N 2 1 335.470 -1.218 20 0 EAADMP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001284458104 788563429 /nfs/dbraw/zinc/56/34/29/788563429.db2.gz ZAFWYBPEYGHNFP-STQMWFEESA-N 2 1 335.470 -1.218 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520703 788573949 /nfs/dbraw/zinc/57/39/49/788573949.db2.gz WXRKEHCJNRESRF-CHWSQXEVSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520703 788573942 /nfs/dbraw/zinc/57/39/42/788573942.db2.gz WXRKEHCJNRESRF-CHWSQXEVSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520703 788573938 /nfs/dbraw/zinc/57/39/38/788573938.db2.gz WXRKEHCJNRESRF-CHWSQXEVSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001284520705 788574546 /nfs/dbraw/zinc/57/45/46/788574546.db2.gz WXRKEHCJNRESRF-OLZOCXBDSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)C[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001284520705 788574537 /nfs/dbraw/zinc/57/45/37/788574537.db2.gz WXRKEHCJNRESRF-OLZOCXBDSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001284520705 788574528 /nfs/dbraw/zinc/57/45/28/788574528.db2.gz WXRKEHCJNRESRF-OLZOCXBDSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520706 788574265 /nfs/dbraw/zinc/57/42/65/788574265.db2.gz WXRKEHCJNRESRF-QWHCGFSZSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520706 788574257 /nfs/dbraw/zinc/57/42/57/788574257.db2.gz WXRKEHCJNRESRF-QWHCGFSZSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001284520706 788574247 /nfs/dbraw/zinc/57/42/47/788574247.db2.gz WXRKEHCJNRESRF-QWHCGFSZSA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)NC1=O ZINC001284520708 788574880 /nfs/dbraw/zinc/57/48/80/788574880.db2.gz WXRKEHCJNRESRF-STQMWFEESA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001284520708 788574875 /nfs/dbraw/zinc/57/48/75/788574875.db2.gz WXRKEHCJNRESRF-STQMWFEESA-N 2 1 342.440 -1.117 20 0 EAADMP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001284520708 788574868 /nfs/dbraw/zinc/57/48/68/788574868.db2.gz WXRKEHCJNRESRF-STQMWFEESA-N 2 1 342.440 -1.117 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)C1 ZINC001284877840 788602413 /nfs/dbraw/zinc/60/24/13/788602413.db2.gz HYHUNTONRNBGCM-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)C1 ZINC001284877840 788602409 /nfs/dbraw/zinc/60/24/09/788602409.db2.gz HYHUNTONRNBGCM-KBPBESRZSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001284877841 788602952 /nfs/dbraw/zinc/60/29/52/788602952.db2.gz HYHUNTONRNBGCM-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001284877841 788602947 /nfs/dbraw/zinc/60/29/47/788602947.db2.gz HYHUNTONRNBGCM-KGLIPLIRSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)C1 ZINC001284877842 788602269 /nfs/dbraw/zinc/60/22/69/788602269.db2.gz HYHUNTONRNBGCM-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)C1 ZINC001284877842 788602262 /nfs/dbraw/zinc/60/22/62/788602262.db2.gz HYHUNTONRNBGCM-UONOGXRCSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001284877843 788602678 /nfs/dbraw/zinc/60/26/78/788602678.db2.gz HYHUNTONRNBGCM-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)C1 ZINC001284877843 788602674 /nfs/dbraw/zinc/60/26/74/788602674.db2.gz HYHUNTONRNBGCM-ZIAGYGMSSA-N 2 1 342.440 -1.340 20 0 EAADMP CC[N@H+]1CCO[C@H](C(=O)NC2CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001284908767 788607554 /nfs/dbraw/zinc/60/75/54/788607554.db2.gz BRAYORKLAYXUOO-AWEZNQCLSA-N 2 1 342.440 -1.388 20 0 EAADMP CC[N@@H+]1CCO[C@H](C(=O)NC2CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001284908767 788607548 /nfs/dbraw/zinc/60/75/48/788607548.db2.gz BRAYORKLAYXUOO-AWEZNQCLSA-N 2 1 342.440 -1.388 20 0 EAADMP CC[N@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001284908784 788608187 /nfs/dbraw/zinc/60/81/87/788608187.db2.gz BRAYORKLAYXUOO-CQSZACIVSA-N 2 1 342.440 -1.388 20 0 EAADMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001284908784 788608181 /nfs/dbraw/zinc/60/81/81/788608181.db2.gz BRAYORKLAYXUOO-CQSZACIVSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001289150408 788846080 /nfs/dbraw/zinc/84/60/80/788846080.db2.gz WUTBIFGGQWAADB-MGPQQGTHSA-N 2 1 342.440 -1.653 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001294727235 788986064 /nfs/dbraw/zinc/98/60/64/788986064.db2.gz YUWXFSWJCSGLEW-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001294727235 788986059 /nfs/dbraw/zinc/98/60/59/788986059.db2.gz YUWXFSWJCSGLEW-KBPBESRZSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001294727236 788986044 /nfs/dbraw/zinc/98/60/44/788986044.db2.gz YUWXFSWJCSGLEW-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001294727236 788986040 /nfs/dbraw/zinc/98/60/40/788986040.db2.gz YUWXFSWJCSGLEW-KGLIPLIRSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001294727237 788986410 /nfs/dbraw/zinc/98/64/10/788986410.db2.gz YUWXFSWJCSGLEW-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001294727237 788986403 /nfs/dbraw/zinc/98/64/03/788986403.db2.gz YUWXFSWJCSGLEW-UONOGXRCSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001294727238 788986432 /nfs/dbraw/zinc/98/64/32/788986432.db2.gz YUWXFSWJCSGLEW-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001294727238 788986426 /nfs/dbraw/zinc/98/64/26/788986426.db2.gz YUWXFSWJCSGLEW-ZIAGYGMSSA-N 2 1 342.440 -1.388 20 0 EAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC001313009549 789155318 /nfs/dbraw/zinc/15/53/18/789155318.db2.gz MEMAJOMLWGSRDW-OLZOCXBDSA-N 2 1 327.429 -1.308 20 0 EAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001313009549 789155314 /nfs/dbraw/zinc/15/53/14/789155314.db2.gz MEMAJOMLWGSRDW-OLZOCXBDSA-N 2 1 327.429 -1.308 20 0 EAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC001313009549 789155309 /nfs/dbraw/zinc/15/53/09/789155309.db2.gz MEMAJOMLWGSRDW-OLZOCXBDSA-N 2 1 327.429 -1.308 20 0 EAADMP