smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](C)[NH2+]CC[NH+]1CCCC1 20126823 537781602 /nfs/dbraw/zinc/78/16/02/537781602.db2.gz RDIKAASXHMPQIK-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](C)C[NH2+]CC[NH+]1CCCC1 20127056 537782054 /nfs/dbraw/zinc/78/20/54/537782054.db2.gz SLLPWGJDMIBHPH-LBPRGKRZSA-N 2 2 198.354 2.108 10 0 AEAELP CC(C)C[C@@H](C)[NH2+]CC[NH+]1CCCC1 20126822 537782388 /nfs/dbraw/zinc/78/23/88/537782388.db2.gz RDIKAASXHMPQIK-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C)C[NH2+]CC[NH+]1CCCC1 20127055 537783313 /nfs/dbraw/zinc/78/33/13/537783313.db2.gz SLLPWGJDMIBHPH-GFCCVEGCSA-N 2 2 198.354 2.108 10 0 AEAELP CC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C 37479870 537815142 /nfs/dbraw/zinc/81/51/42/537815142.db2.gz MALIUGVOVBIBBN-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C 37479870 537815148 /nfs/dbraw/zinc/81/51/48/537815148.db2.gz MALIUGVOVBIBBN-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C 37479869 537815788 /nfs/dbraw/zinc/81/57/88/537815788.db2.gz MALIUGVOVBIBBN-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C 37479869 537815797 /nfs/dbraw/zinc/81/57/97/537815797.db2.gz MALIUGVOVBIBBN-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[NH2+][C@@H]1CCC[N@H+](CC)C1 40502197 537832595 /nfs/dbraw/zinc/83/25/95/537832595.db2.gz CKQKFEAXWOGHHK-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 40502197 537832607 /nfs/dbraw/zinc/83/26/07/537832607.db2.gz CKQKFEAXWOGHHK-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40672983 537832975 /nfs/dbraw/zinc/83/29/75/537832975.db2.gz BTGBCXCGBLYRSD-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672983 537832983 /nfs/dbraw/zinc/83/29/83/537832983.db2.gz BTGBCXCGBLYRSD-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](CC)C1 40502511 537834552 /nfs/dbraw/zinc/83/45/52/537834552.db2.gz BBUFZUUDIXHRPR-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 40502511 537834565 /nfs/dbraw/zinc/83/45/65/537834565.db2.gz BBUFZUUDIXHRPR-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)C[NH2+][C@H]1CCC[N@H+](CC)C1 40502514 537834714 /nfs/dbraw/zinc/83/47/14/537834714.db2.gz BBUFZUUDIXHRPR-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](CC)C1 40502514 537834719 /nfs/dbraw/zinc/83/47/19/537834719.db2.gz BBUFZUUDIXHRPR-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[NH2+][C@H]1CCC[N@H+](CC)C1 40502198 537835750 /nfs/dbraw/zinc/83/57/50/537835750.db2.gz CKQKFEAXWOGHHK-LBPRGKRZSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[NH2+][C@H]1CCC[N@@H+](CC)C1 40502198 537835758 /nfs/dbraw/zinc/83/57/58/537835758.db2.gz CKQKFEAXWOGHHK-LBPRGKRZSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40671890 537835914 /nfs/dbraw/zinc/83/59/14/537835914.db2.gz ZIZZWKZRZUEPMO-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40671890 537835921 /nfs/dbraw/zinc/83/59/21/537835921.db2.gz ZIZZWKZRZUEPMO-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672544 537836221 /nfs/dbraw/zinc/83/62/21/537836221.db2.gz MPGNQOFRMQPOGZ-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672544 537836228 /nfs/dbraw/zinc/83/62/28/537836228.db2.gz MPGNQOFRMQPOGZ-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40671892 537837137 /nfs/dbraw/zinc/83/71/37/537837137.db2.gz ZIZZWKZRZUEPMO-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](CC)C1 40502513 537836619 /nfs/dbraw/zinc/83/66/19/537836619.db2.gz BBUFZUUDIXHRPR-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](CC)C1 40502513 537836622 /nfs/dbraw/zinc/83/66/22/537836622.db2.gz BBUFZUUDIXHRPR-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672982 537836818 /nfs/dbraw/zinc/83/68/18/537836818.db2.gz BTGBCXCGBLYRSD-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672982 537836822 /nfs/dbraw/zinc/83/68/22/537836822.db2.gz BTGBCXCGBLYRSD-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40671891 537836976 /nfs/dbraw/zinc/83/69/76/537836976.db2.gz ZIZZWKZRZUEPMO-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40671891 537836982 /nfs/dbraw/zinc/83/69/82/537836982.db2.gz ZIZZWKZRZUEPMO-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40671892 537837147 /nfs/dbraw/zinc/83/71/47/537837147.db2.gz ZIZZWKZRZUEPMO-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40672984 537837907 /nfs/dbraw/zinc/83/79/07/537837907.db2.gz BTGBCXCGBLYRSD-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672984 537837918 /nfs/dbraw/zinc/83/79/18/537837918.db2.gz BTGBCXCGBLYRSD-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40671889 537838381 /nfs/dbraw/zinc/83/83/81/537838381.db2.gz ZIZZWKZRZUEPMO-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40671889 537838384 /nfs/dbraw/zinc/83/83/84/537838384.db2.gz ZIZZWKZRZUEPMO-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672546 537838415 /nfs/dbraw/zinc/83/84/15/537838415.db2.gz MPGNQOFRMQPOGZ-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672546 537838419 /nfs/dbraw/zinc/83/84/19/537838419.db2.gz MPGNQOFRMQPOGZ-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](CC)C1 40502512 537838524 /nfs/dbraw/zinc/83/85/24/537838524.db2.gz BBUFZUUDIXHRPR-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 40502512 537838527 /nfs/dbraw/zinc/83/85/27/537838527.db2.gz BBUFZUUDIXHRPR-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)[NH2+]CCCCn1cc[nH+]c1 45094429 537851389 /nfs/dbraw/zinc/85/13/89/537851389.db2.gz AZJRZQCPZUPPCB-NSHDSACASA-N 2 2 195.310 2.051 10 0 AEAELP CC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 45094428 537852418 /nfs/dbraw/zinc/85/24/18/537852418.db2.gz AZJRZQCPZUPPCB-LLVKDONJSA-N 2 2 195.310 2.051 10 0 AEAELP CCC[NH+](CCC)[C@H]1CCC[NH2+][C@H]1C 160568907 538044048 /nfs/dbraw/zinc/04/40/48/538044048.db2.gz QHMLEKRMTGINJG-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH+](CCC)[C@H]1CCC[NH2+][C@@H]1C 160568663 538044995 /nfs/dbraw/zinc/04/49/95/538044995.db2.gz QHMLEKRMTGINJG-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH+](CCC)[C@@H]1CCC[NH2+][C@H]1C 160568783 538045174 /nfs/dbraw/zinc/04/51/74/538045174.db2.gz QHMLEKRMTGINJG-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH+](CCC)[C@@H]1CCC[NH2+][C@@H]1C 160568524 538046253 /nfs/dbraw/zinc/04/62/53/538046253.db2.gz QHMLEKRMTGINJG-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)C 163912946 538136548 /nfs/dbraw/zinc/13/65/48/538136548.db2.gz NNZAWYFKEYQSEA-JTQLQIEISA-N 2 2 195.310 2.324 10 0 AEAELP C[C@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C 166446171 538161059 /nfs/dbraw/zinc/16/10/59/538161059.db2.gz DILAOBYXHQFOPW-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C 166340143 538161245 /nfs/dbraw/zinc/16/12/45/538161245.db2.gz JLULKQKZECZFKN-SDDRHHMPSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C 166340143 538161252 /nfs/dbraw/zinc/16/12/52/538161252.db2.gz JLULKQKZECZFKN-SDDRHHMPSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C 166340363 538162814 /nfs/dbraw/zinc/16/28/14/538162814.db2.gz JLULKQKZECZFKN-SRVKXCTJSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C 166340363 538162820 /nfs/dbraw/zinc/16/28/20/538162820.db2.gz JLULKQKZECZFKN-SRVKXCTJSA-N 2 2 198.354 2.103 10 0 AEAELP C[C@@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C 166446279 538163362 /nfs/dbraw/zinc/16/33/62/538163362.db2.gz DILAOBYXHQFOPW-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC 167501411 538172545 /nfs/dbraw/zinc/17/25/45/538172545.db2.gz FHKPEKRFIGDZDH-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC 167501411 538172553 /nfs/dbraw/zinc/17/25/53/538172553.db2.gz FHKPEKRFIGDZDH-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC 167501072 538172780 /nfs/dbraw/zinc/17/27/80/538172780.db2.gz FHKPEKRFIGDZDH-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC 167501072 538172792 /nfs/dbraw/zinc/17/27/92/538172792.db2.gz FHKPEKRFIGDZDH-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC 167501188 538172930 /nfs/dbraw/zinc/17/29/30/538172930.db2.gz FHKPEKRFIGDZDH-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC 167501188 538172937 /nfs/dbraw/zinc/17/29/37/538172937.db2.gz FHKPEKRFIGDZDH-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC 167501301 538173758 /nfs/dbraw/zinc/17/37/58/538173758.db2.gz FHKPEKRFIGDZDH-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC 167501301 538173767 /nfs/dbraw/zinc/17/37/67/538173767.db2.gz FHKPEKRFIGDZDH-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C(C)C)C1 250307271 538256394 /nfs/dbraw/zinc/25/63/94/538256394.db2.gz LJEHSYWCFHPUGQ-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C(C)C)C1 250307271 538256404 /nfs/dbraw/zinc/25/64/04/538256404.db2.gz LJEHSYWCFHPUGQ-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C(C)C)C1 250307269 538256560 /nfs/dbraw/zinc/25/65/60/538256560.db2.gz LJEHSYWCFHPUGQ-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C(C)C)C1 250307269 538256574 /nfs/dbraw/zinc/25/65/74/538256574.db2.gz LJEHSYWCFHPUGQ-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 251848246 538264856 /nfs/dbraw/zinc/26/48/56/538264856.db2.gz MPGNQOFRMQPOGZ-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 251848246 538264858 /nfs/dbraw/zinc/26/48/58/538264858.db2.gz MPGNQOFRMQPOGZ-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 251848248 538265266 /nfs/dbraw/zinc/26/52/66/538265266.db2.gz MPGNQOFRMQPOGZ-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 251848248 538265272 /nfs/dbraw/zinc/26/52/72/538265272.db2.gz MPGNQOFRMQPOGZ-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C 252433445 538266902 /nfs/dbraw/zinc/26/69/02/538266902.db2.gz MALIUGVOVBIBBN-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C 252433445 538266909 /nfs/dbraw/zinc/26/69/09/538266909.db2.gz MALIUGVOVBIBBN-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C 252433444 538268490 /nfs/dbraw/zinc/26/84/90/538268490.db2.gz MALIUGVOVBIBBN-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C 252433444 538268495 /nfs/dbraw/zinc/26/84/95/538268495.db2.gz MALIUGVOVBIBBN-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C 252711432 538271658 /nfs/dbraw/zinc/27/16/58/538271658.db2.gz JLULKQKZECZFKN-WOPDTQHZSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C 252711432 538271667 /nfs/dbraw/zinc/27/16/67/538271667.db2.gz JLULKQKZECZFKN-WOPDTQHZSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C 252711431 538272469 /nfs/dbraw/zinc/27/24/69/538272469.db2.gz JLULKQKZECZFKN-GRYCIOLGSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C 252711431 538272472 /nfs/dbraw/zinc/27/24/72/538272472.db2.gz JLULKQKZECZFKN-GRYCIOLGSA-N 2 2 198.354 2.103 10 0 AEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC1(C)C 379528778 538413089 /nfs/dbraw/zinc/41/30/89/538413089.db2.gz HUOJCDHBPZIHEZ-JTQLQIEISA-N 2 2 198.354 2.105 10 0 AEAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC1(C)C 379528779 538413962 /nfs/dbraw/zinc/41/39/62/538413962.db2.gz HUOJCDHBPZIHEZ-SNVBAGLBSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[N@H+](C)CC[NH2+]CC1(C)CCC1 379574214 538416064 /nfs/dbraw/zinc/41/60/64/538416064.db2.gz JXPVWGZBWXABBT-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)[N@@H+](C)CC[NH2+]CC1(C)CCC1 379574214 538416067 /nfs/dbraw/zinc/41/60/67/538416067.db2.gz JXPVWGZBWXABBT-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C 379606242 538421108 /nfs/dbraw/zinc/42/11/08/538421108.db2.gz QJLLWWOFXBKVDA-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C 379606242 538421111 /nfs/dbraw/zinc/42/11/11/538421111.db2.gz QJLLWWOFXBKVDA-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C 379606239 538421477 /nfs/dbraw/zinc/42/14/77/538421477.db2.gz QJLLWWOFXBKVDA-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C 379606239 538421478 /nfs/dbraw/zinc/42/14/78/538421478.db2.gz QJLLWWOFXBKVDA-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C 379606244 538421813 /nfs/dbraw/zinc/42/18/13/538421813.db2.gz QJLLWWOFXBKVDA-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C 379606244 538421815 /nfs/dbraw/zinc/42/18/15/538421815.db2.gz QJLLWWOFXBKVDA-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 379606241 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/nfs/dbraw/zinc/10/33/23/572103323.db2.gz NXYKHRMESYXNIV-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+][C@H](C)C[N@H+](C)C(C)(C)CC 69432480 572113546 /nfs/dbraw/zinc/11/35/46/572113546.db2.gz BNERPZRGMLETPE-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[NH2+][C@H](C)C[N@@H+](C)C(C)(C)CC 69432480 572113549 /nfs/dbraw/zinc/11/35/49/572113549.db2.gz BNERPZRGMLETPE-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[NH+](CC)CC[NH2+][C@H](C)CC1CC1 69665975 572132446 /nfs/dbraw/zinc/13/24/46/572132446.db2.gz WTJREOQXSNFOEU-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](CC)[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 300353128 572132447 /nfs/dbraw/zinc/13/24/47/572132447.db2.gz UKSIFVUISRNLGK-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CCCC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C 690370473 757347983 /nfs/dbraw/zinc/34/79/83/757347983.db2.gz VHLXEKJXHPZAJD-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C 690370473 757347996 /nfs/dbraw/zinc/34/79/96/757347996.db2.gz 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572195374 /nfs/dbraw/zinc/19/53/74/572195374.db2.gz MKBGCHCZWBVBHP-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCCC(CCC)[N@H+](C)C[C@@H](C)[NH3+] 308142069 572827861 /nfs/dbraw/zinc/82/78/61/572827861.db2.gz LVBWXJLRJTZPCE-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]1(CC)CCC 711953510 572207260 /nfs/dbraw/zinc/20/72/60/572207260.db2.gz LAORTZBVSXGGLP-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]1(CC)CCC 711953510 572207263 /nfs/dbraw/zinc/20/72/63/572207263.db2.gz LAORTZBVSXGGLP-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCCC(CCC)[N@@H+](C)C[C@@H](C)[NH3+] 308142069 572827863 /nfs/dbraw/zinc/82/78/63/572827863.db2.gz LVBWXJLRJTZPCE-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@]1(CC)CCC 711953505 572208733 /nfs/dbraw/zinc/20/87/33/572208733.db2.gz LAORTZBVSXGGLP-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@H+]1CC[C@H]([NH3+])[C@]1(CC)CCC 711953505 572208735 /nfs/dbraw/zinc/20/87/35/572208735.db2.gz LAORTZBVSXGGLP-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)(CC)[N@@H+]1CC[C@H]([NH2+]C)C1 83388178 572208742 /nfs/dbraw/zinc/20/87/42/572208742.db2.gz KKPPWBUONYDDMU-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)(CC)[N@H+]1CC[C@H]([NH2+]C)C1 83388178 572208744 /nfs/dbraw/zinc/20/87/44/572208744.db2.gz KKPPWBUONYDDMU-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 70585451 572236613 /nfs/dbraw/zinc/23/66/13/572236613.db2.gz BVHURQKVFUIUAB-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 70585451 572236614 /nfs/dbraw/zinc/23/66/14/572236614.db2.gz BVHURQKVFUIUAB-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c([C@H]2C[C@@H]2C)[nH]1 83810697 572415310 /nfs/dbraw/zinc/41/53/10/572415310.db2.gz PASUOWOXJCISKV-WPRPVWTQSA-N 2 2 193.294 2.033 10 0 AEAELP CC(C)[NH2+]Cc1c[nH+]c([C@@H]2C[C@@H]2C)[nH]1 83810703 572417137 /nfs/dbraw/zinc/41/71/37/572417137.db2.gz QNRRGLPLZHNNPN-WCBMZHEXSA-N 2 2 193.294 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CCC[N@H+](CC1([NH2+]C)CCC1)C(C)C 308529103 573238772 /nfs/dbraw/zinc/23/87/72/573238772.db2.gz QFUVPQIZJNRESO-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](CC1([NH2+]C)CCC1)C(C)C 308529103 573238777 /nfs/dbraw/zinc/23/87/77/573238777.db2.gz QFUVPQIZJNRESO-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)CCC[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 259042435 573238827 /nfs/dbraw/zinc/23/88/27/573238827.db2.gz PJKZQOIILKKSHR-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CCC[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 259042435 573238831 /nfs/dbraw/zinc/23/88/31/573238831.db2.gz PJKZQOIILKKSHR-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)c1c[nH+]ccc1CC(C)(C)[NH3+] 259052012 573249568 /nfs/dbraw/zinc/24/95/68/573249568.db2.gz AXTORZXRMZYYAC-UHFFFAOYSA-N 2 2 192.306 2.485 10 0 AEAELP C[NH2+][C@@H]1C[N@H+](C2CCCC2)C(C)(C)C1 259392259 573249612 /nfs/dbraw/zinc/24/96/12/573249612.db2.gz LVNRXACATRFRHF-JTQLQIEISA-N 2 2 196.338 2.001 10 0 AEAELP C[NH2+][C@@H]1C[N@@H+](C2CCCC2)C(C)(C)C1 259392259 573249616 /nfs/dbraw/zinc/24/96/16/573249616.db2.gz LVNRXACATRFRHF-JTQLQIEISA-N 2 2 196.338 2.001 10 0 AEAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@@H](C)C(C)(C)C 42747598 573256819 /nfs/dbraw/zinc/25/68/19/573256819.db2.gz NIITUMNHBFGDKL-AEJSXWLSSA-N 2 2 186.343 2.089 10 0 AEAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 42747598 573256824 /nfs/dbraw/zinc/25/68/24/573256824.db2.gz NIITUMNHBFGDKL-AEJSXWLSSA-N 2 2 186.343 2.089 10 0 AEAELP Cc1[nH+]cc(C[NH2+]C2CC2)n1C(C)C 257980889 573256976 /nfs/dbraw/zinc/25/69/76/573256976.db2.gz ARPZOOAALGFMBV-UHFFFAOYSA-N 2 2 193.294 2.024 10 0 AEAELP CC1(C)[C@H]([NH3+])CCC[N@@H+]1C1CCCC1 259397429 573257346 /nfs/dbraw/zinc/25/73/46/573257346.db2.gz MCNVKHREFGNITQ-LLVKDONJSA-N 2 2 196.338 2.131 10 0 AEAELP CC1(C)[C@H]([NH3+])CCC[N@H+]1C1CCCC1 259397429 573257351 /nfs/dbraw/zinc/25/73/51/573257351.db2.gz MCNVKHREFGNITQ-LLVKDONJSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@@H+](CC1CC1)C[C@@H](CC)[NH2+]C 50179572 573270269 /nfs/dbraw/zinc/27/02/69/573270269.db2.gz XRENOEPHZADHQI-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[N@H+](CC1CC1)C[C@@H](CC)[NH2+]C 50179572 573270274 /nfs/dbraw/zinc/27/02/74/573270274.db2.gz XRENOEPHZADHQI-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H]([NH3+])C1([NH+](C)C)CCC(C)CC1 74236731 573271012 /nfs/dbraw/zinc/27/10/12/573271012.db2.gz RPJROKBZCNSMLP-MOENNCHZSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H](C[N@H+](CC)C1CCCC1)[NH2+]C 50179267 573272901 /nfs/dbraw/zinc/27/29/01/573272901.db2.gz CSQDWVKRBBVPAE-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C[N@@H+](CC)C1CCCC1)[NH2+]C 50179267 573272906 /nfs/dbraw/zinc/27/29/06/573272906.db2.gz CSQDWVKRBBVPAE-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C[N@@H+]1[C@@H](C)CCC[C@H]1C)[NH2+]C 50166465 573272937 /nfs/dbraw/zinc/27/29/37/573272937.db2.gz QGSQNDQWOXETKR-GRYCIOLGSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C[N@H+]1[C@@H](C)CCC[C@H]1C)[NH2+]C 50166465 573272942 /nfs/dbraw/zinc/27/29/42/573272942.db2.gz QGSQNDQWOXETKR-GRYCIOLGSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C[N@H+](CC)C1CCCC1)[NH2+]C 50179268 573272993 /nfs/dbraw/zinc/27/29/93/573272993.db2.gz CSQDWVKRBBVPAE-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C[N@@H+](CC)C1CCCC1)[NH2+]C 50179268 573272998 /nfs/dbraw/zinc/27/29/98/573272998.db2.gz CSQDWVKRBBVPAE-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@H](CC)[NH2+]C 50179322 573273032 /nfs/dbraw/zinc/27/30/32/573273032.db2.gz NVHHSAXWXBIIJU-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CCC(CC)[N@H+](C)C[C@H](CC)[NH2+]C 50179322 573273040 /nfs/dbraw/zinc/27/30/40/573273040.db2.gz NVHHSAXWXBIIJU-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H]([NH3+])C1([NH+](C)C)CCCCCC1 74236724 573273345 /nfs/dbraw/zinc/27/33/45/573273345.db2.gz MTWCVLLDKBUADC-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 74240831 573279217 /nfs/dbraw/zinc/27/92/17/573279217.db2.gz AQCHULDSUVVHJI-LLVKDONJSA-N 2 2 196.338 2.132 10 0 AEAELP CC[C@@H]1CCC[N@@H+]1CC1([NH2+]C)CCC1 308538494 573284547 /nfs/dbraw/zinc/28/45/47/573284547.db2.gz SODZSABAJHZWGH-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@H]1CCC[N@H+]1CC1([NH2+]C)CCC1 308538494 573284552 /nfs/dbraw/zinc/28/45/52/573284552.db2.gz SODZSABAJHZWGH-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[N@H+](CCC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] 259068745 573285223 /nfs/dbraw/zinc/28/52/23/573285223.db2.gz QNTWZLLVUNWQHY-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[N@@H+](CCC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] 259068745 573285227 /nfs/dbraw/zinc/28/52/27/573285227.db2.gz QNTWZLLVUNWQHY-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[N@H+](CCC(C)(C)C)[C@H]1CCC[C@@H]1[NH3+] 259068749 573285460 /nfs/dbraw/zinc/28/54/60/573285460.db2.gz QNTWZLLVUNWQHY-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP C[N@@H+](CCC(C)(C)C)[C@H]1CCC[C@@H]1[NH3+] 259068749 573285464 /nfs/dbraw/zinc/28/54/64/573285464.db2.gz QNTWZLLVUNWQHY-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C(C)C 224153323 573286222 /nfs/dbraw/zinc/28/62/22/573286222.db2.gz YXIWZUHXXYCOSD-QJPTWQEYSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]([NH3+])C(C)C 224153323 573286226 /nfs/dbraw/zinc/28/62/26/573286226.db2.gz YXIWZUHXXYCOSD-QJPTWQEYSA-N 2 2 198.354 2.233 10 0 AEAELP C[N@H+](CCC(C)(C)C)[C@H]1CCC[C@H]1[NH3+] 259068746 573286499 /nfs/dbraw/zinc/28/64/99/573286499.db2.gz QNTWZLLVUNWQHY-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[N@@H+](CCC(C)(C)C)[C@H]1CCC[C@H]1[NH3+] 259068746 573286502 /nfs/dbraw/zinc/28/65/02/573286502.db2.gz QNTWZLLVUNWQHY-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC[NH2+][C@H](C)c1c[nH+]c(C2CC2)[nH]1 308541689 573290676 /nfs/dbraw/zinc/29/06/76/573290676.db2.gz MUVHVSYVMCXRRN-MRVPVSSYSA-N 2 2 193.294 2.348 10 0 AEAELP CC[C@@H](C)c1ccc([C@@H]([NH3+])C[NH3+])cc1 259071261 573290881 /nfs/dbraw/zinc/29/08/81/573290881.db2.gz NKSMIOJVUCZMJU-SKDRFNHKSA-N 2 2 192.306 2.159 10 0 AEAELP CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)C[N@@H+]1C 82937121 573294244 /nfs/dbraw/zinc/29/42/44/573294244.db2.gz XKXINBQKSHYTBB-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@]1(C)C[NH2+][C@H](C(C)(C)C)C[N@H+]1C 82937121 573294248 /nfs/dbraw/zinc/29/42/48/573294248.db2.gz XKXINBQKSHYTBB-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)c1ccc([C@H]([NH3+])C[NH3+])cc1 259071246 573296480 /nfs/dbraw/zinc/29/64/80/573296480.db2.gz NKSMIOJVUCZMJU-BXKDBHETSA-N 2 2 192.306 2.159 10 0 AEAELP CCC[N@@H+]1C[C@H](C)[NH2+]CC12CCCC2 82935465 573296635 /nfs/dbraw/zinc/29/66/35/573296635.db2.gz FUFMMQMSWTZHKY-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CCC[N@H+]1C[C@H](C)[NH2+]CC12CCCC2 82935465 573296644 /nfs/dbraw/zinc/29/66/44/573296644.db2.gz FUFMMQMSWTZHKY-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC(C)[N@@H+]1C[C@H](C)[NH2+]CC12CCCC2 82935452 573296718 /nfs/dbraw/zinc/29/67/18/573296718.db2.gz YUWQSYCVKKMUGZ-NSHDSACASA-N 2 2 196.338 2.001 10 0 AEAELP CCCC[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 50890852 573297048 /nfs/dbraw/zinc/29/70/48/573297048.db2.gz MQZHXSMDONEJGF-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 50890852 573297052 /nfs/dbraw/zinc/29/70/52/573297052.db2.gz MQZHXSMDONEJGF-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)C[N@@H+]1C 82937122 573297944 /nfs/dbraw/zinc/29/79/44/573297944.db2.gz XKXINBQKSHYTBB-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@]1(C)C[NH2+][C@H](C(C)(C)C)C[N@H+]1C 82937122 573297949 /nfs/dbraw/zinc/29/79/49/573297949.db2.gz XKXINBQKSHYTBB-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[C@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 50890859 573297984 /nfs/dbraw/zinc/29/79/84/573297984.db2.gz FJDSPBRAMQFTPC-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 50890859 573297989 /nfs/dbraw/zinc/29/79/89/573297989.db2.gz FJDSPBRAMQFTPC-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP Cc1[nH]c(C[NH+]2CCCCCC2)c[nH+]1 258285326 573305886 /nfs/dbraw/zinc/30/58/86/573305886.db2.gz UCWXQFYUVMWFMK-UHFFFAOYSA-N 2 2 193.294 2.094 10 0 AEAELP CC[C@H](C)[C@H]1C[N@H+](CC)C(C)(C)C[NH2+]1 82937582 573306092 /nfs/dbraw/zinc/30/60/92/573306092.db2.gz UQHQVBQJWIRCIC-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H]1C[N@@H+](CC)C(C)(C)C[NH2+]1 82937582 573306096 /nfs/dbraw/zinc/30/60/96/573306096.db2.gz UQHQVBQJWIRCIC-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C 82937983 573306188 /nfs/dbraw/zinc/30/61/88/573306188.db2.gz UOWRTTJVBDKAPK-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C 82937983 573306194 /nfs/dbraw/zinc/30/61/94/573306194.db2.gz UOWRTTJVBDKAPK-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC(C)[C@@H]1C[N@H+](C(C)C)[C@H](C)CC[NH2+]1 82942265 573308050 /nfs/dbraw/zinc/30/80/50/573308050.db2.gz BKMWEIXUSWBKCI-NEPJUHHUSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[C@@H]1C[N@@H+](C(C)C)[C@H](C)CC[NH2+]1 82942265 573308056 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OAGLBCSPPWBTAF-LBPRGKRZSA-N 2 2 196.338 2.132 10 0 AEAELP CCCC1CC[NH+](C[C@H](C)[NH2+]C)CC1 50893474 573477703 /nfs/dbraw/zinc/47/77/03/573477703.db2.gz YADADLISMCTEFV-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)C[N@H+](C[C@H]([NH3+])C1CC1)C(C)C 68895891 572002571 /nfs/dbraw/zinc/00/25/71/572002571.db2.gz MNYDKMXYAXKOAK-LBPRGKRZSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)C[N@@H+](C[C@H]([NH3+])C1CC1)C(C)C 68895891 572002573 /nfs/dbraw/zinc/00/25/73/572002573.db2.gz MNYDKMXYAXKOAK-LBPRGKRZSA-N 2 2 198.354 2.090 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@H]1CCCC[NH2+]1 68998218 572018503 /nfs/dbraw/zinc/01/85/03/572018503.db2.gz SORRRYHPUBSRJP-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@H]1CCCC[NH2+]1 68998218 572018507 /nfs/dbraw/zinc/01/85/07/572018507.db2.gz SORRRYHPUBSRJP-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503664 572027893 /nfs/dbraw/zinc/02/78/93/572027893.db2.gz OTJDOXONZRVWNZ-JTQLQIEISA-N 2 2 195.310 2.121 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+](C)CC1CCCC1 82493350 572029312 /nfs/dbraw/zinc/02/93/12/572029312.db2.gz ZEOJJQSHXOPOGJ-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+](C)CC1CCCC1 82493350 572029314 /nfs/dbraw/zinc/02/93/14/572029314.db2.gz ZEOJJQSHXOPOGJ-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP CC[N@H+](CC=C(C)C)[C@@H]1CCC[NH2+]C1 82500710 572036124 /nfs/dbraw/zinc/03/61/24/572036124.db2.gz FFJOLMMGAPNDJX-GFCCVEGCSA-N 2 2 196.338 2.027 10 0 AEAELP CC[N@@H+](CC=C(C)C)[C@@H]1CCC[NH2+]C1 82500710 572036126 /nfs/dbraw/zinc/03/61/26/572036126.db2.gz FFJOLMMGAPNDJX-GFCCVEGCSA-N 2 2 196.338 2.027 10 0 AEAELP C[NH2+][C@@H](C)[C@H](C)[N@H+](C)CC1CCCC1 82492334 572041477 /nfs/dbraw/zinc/04/14/77/572041477.db2.gz CFJQGSUUKBIDJS-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@@H](C)[C@H](C)[N@@H+](C)CC1CCCC1 82492334 572041479 /nfs/dbraw/zinc/04/14/79/572041479.db2.gz CFJQGSUUKBIDJS-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+](C[C@@H]([NH3+])C(C)C)C(C)C 37096348 572089567 /nfs/dbraw/zinc/08/95/67/572089567.db2.gz XVUBLIDIIYAJEH-LLVKDONJSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](C[C@@H]([NH3+])C(C)C)C(C)C 37096348 572089570 /nfs/dbraw/zinc/08/95/70/572089570.db2.gz XVUBLIDIIYAJEH-LLVKDONJSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([NH+](CC)CC)C1 36879314 572073409 /nfs/dbraw/zinc/07/34/09/572073409.db2.gz JZQTUMJEWZZPAK-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@]1(C[NH+]2CCC2)CCCC[NH2+]1 687784474 572111707 /nfs/dbraw/zinc/11/17/07/572111707.db2.gz GRCZUGXKMREQEW-LBPRGKRZSA-N 2 2 196.338 2.005 10 0 AEAELP CCC(CC)(CC)[NH2+]CC[NH+](C)C 83388052 572208202 /nfs/dbraw/zinc/20/82/02/572208202.db2.gz TVZMIIRGFLUMNQ-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H]1C(C)C 84125796 572504735 /nfs/dbraw/zinc/50/47/35/572504735.db2.gz RCWLDMBNQPDNJW-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+][C@H](C)C[N@H+]1CCC[C@@H]1C(C)C 84125796 572504737 /nfs/dbraw/zinc/50/47/37/572504737.db2.gz RCWLDMBNQPDNJW-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH+](C)CC[NH2+]CC1CCCCCC1 84328099 572535738 /nfs/dbraw/zinc/53/57/38/572535738.db2.gz WRJBTORANVZHEF-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP CC(C)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 63188276 572537223 /nfs/dbraw/zinc/53/72/23/572537223.db2.gz OJCSHBGJQZJKJD-RYUDHWBXSA-N 2 2 196.338 2.001 10 0 AEAELP CC(C)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 63188276 572537225 /nfs/dbraw/zinc/53/72/25/572537225.db2.gz OJCSHBGJQZJKJD-RYUDHWBXSA-N 2 2 196.338 2.001 10 0 AEAELP CC[C@H](C)[N@@H+]1C[C@@H](C)[NH2+]CC(C)(C)C1 251762224 572635458 /nfs/dbraw/zinc/63/54/58/572635458.db2.gz HSPOUQIIDJAYBA-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[N@H+]1C[C@@H](C)[NH2+]CC(C)(C)C1 251762224 572635462 /nfs/dbraw/zinc/63/54/62/572635462.db2.gz HSPOUQIIDJAYBA-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)([NH3+])CCCNc1cccc[nH+]1 258760623 573536547 /nfs/dbraw/zinc/53/65/47/573536547.db2.gz ABJHJIJUCWNAJV-UHFFFAOYSA-N 2 2 193.294 2.011 10 0 AEAELP CC[C@H]([NH3+])CCc1c[nH+]ccc1C 85442744 572747399 /nfs/dbraw/zinc/74/73/99/572747399.db2.gz ZYMRCMGVJFMPTE-NSHDSACASA-N 2 2 178.279 2.060 10 0 AEAELP CCc1ccc(C[C@H](C)CC[NH3+])[nH+]c1 87937101 572760244 /nfs/dbraw/zinc/76/02/44/572760244.db2.gz LXNUYRHNRZTLKD-SNVBAGLBSA-N 2 2 192.306 2.171 10 0 AEAELP CC(C)CC[N@@H+]1C[C@H]([NH3+])CCC1(C)C 258770275 573549257 /nfs/dbraw/zinc/54/92/57/573549257.db2.gz LGFFKASALORHOX-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@H+]1C[C@H]([NH3+])CCC1(C)C 258770275 573549263 /nfs/dbraw/zinc/54/92/63/573549263.db2.gz LGFFKASALORHOX-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@](C)([C@H]([NH3+])C(C)C)[NH+]1CCCC1 85748960 572795329 /nfs/dbraw/zinc/79/53/29/572795329.db2.gz IHBJVQYKICZMPD-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@](C)([C@@H]([NH3+])C(C)C)[NH+]1CCCC1 85748962 572795364 /nfs/dbraw/zinc/79/53/64/572795364.db2.gz IHBJVQYKICZMPD-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)c1c[nH]c([C@@H](C[NH3+])C(C)C)[nH+]1 86276557 572903821 /nfs/dbraw/zinc/90/38/21/572903821.db2.gz NNNOFQOSWMHXSZ-VIFPVBQESA-N 2 2 195.310 2.231 10 0 AEAELP CC(C)c1c[nH]c([C@H](C[NH3+])C(C)C)[nH+]1 86276558 572903828 /nfs/dbraw/zinc/90/38/28/572903828.db2.gz NNNOFQOSWMHXSZ-SECBINFHSA-N 2 2 195.310 2.231 10 0 AEAELP CCCCc1[nH]c([C@@H](C)[NH2+]C)c[nH+]1 308189263 572917250 /nfs/dbraw/zinc/91/72/50/572917250.db2.gz MJBNPOSZBPXQDX-MRVPVSSYSA-N 2 2 181.283 2.033 10 0 AEAELP CC[N@H+](CC(C)(C)C)[C@H](C)[C@H](C)[NH3+] 308195086 572925544 /nfs/dbraw/zinc/92/55/44/572925544.db2.gz MCJQEZAEIJFDKN-VHSXEESVSA-N 2 2 186.343 2.090 10 0 AEAELP CC[N@@H+](CC(C)(C)C)[C@H](C)[C@H](C)[NH3+] 308195086 572925547 /nfs/dbraw/zinc/92/55/47/572925547.db2.gz MCJQEZAEIJFDKN-VHSXEESVSA-N 2 2 186.343 2.090 10 0 AEAELP CC(C)(C)[NH2+][C@@H](C[NH3+])c1ccccc1 238110182 572937908 /nfs/dbraw/zinc/93/79/08/572937908.db2.gz OAVPBCSAYJNAOS-NSHDSACASA-N 2 2 192.306 2.075 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+](CC(C)C)C(C)C 42593478 573000014 /nfs/dbraw/zinc/00/00/14/573000014.db2.gz OWBZDEVJLWZBLE-LLVKDONJSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+](CC(C)C)C(C)C 42593478 573000021 /nfs/dbraw/zinc/00/00/21/573000021.db2.gz OWBZDEVJLWZBLE-LLVKDONJSA-N 2 2 186.343 2.090 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+](CC1CC1)C(C)C 42593637 573000271 /nfs/dbraw/zinc/00/02/71/573000271.db2.gz CBIMRSGNTZQHLK-LBPRGKRZSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+](CC1CC1)C(C)C 42593637 573000274 /nfs/dbraw/zinc/00/02/74/573000274.db2.gz CBIMRSGNTZQHLK-LBPRGKRZSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 42597603 573014520 /nfs/dbraw/zinc/01/45/20/573014520.db2.gz QNKHSNJPQBCYHV-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP Cc1cc[nH+]cc1[C@H](C)[C@@H](C)C[NH3+] 87937666 573019366 /nfs/dbraw/zinc/01/93/66/573019366.db2.gz PIZTXRBRWPKTKA-VHSXEESVSA-N 2 2 178.279 2.088 10 0 AEAELP Cc1cc[nH+]cc1C(C)(C)CC[NH3+] 87937230 573020229 /nfs/dbraw/zinc/02/02/29/573020229.db2.gz MSBSPEHBEZWUIG-UHFFFAOYSA-N 2 2 178.279 2.016 10 0 AEAELP C/C=C\C[N@H+](CCC)C[C@H]1CCC[NH2+]1 308484455 573023738 /nfs/dbraw/zinc/02/37/38/573023738.db2.gz LDNSKCVDYWNADV-KTLBGCOUSA-N 2 2 196.338 2.027 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCC[C@H]1C 308478392 573024864 /nfs/dbraw/zinc/02/48/64/573024864.db2.gz LWLVAHACTSUELT-UTUOFQBUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCC[C@H]1C 308478392 573024870 /nfs/dbraw/zinc/02/48/70/573024870.db2.gz LWLVAHACTSUELT-UTUOFQBUSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+]C[C@H]1CC[C@@H]1c1c[nH+]ccc1C 87954336 573027369 /nfs/dbraw/zinc/02/73/69/573027369.db2.gz IZNJFPRYRBSFSA-MNOVXSKESA-N 2 2 190.290 2.103 10 0 AEAELP CC(C)[C@@H](C[NH2+]C(C)(C)C)[NH+]1CCC1 308477439 573027549 /nfs/dbraw/zinc/02/75/49/573027549.db2.gz FGOULGOROUEQAL-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+]C[C@@H]1CC[C@@H]1c1ccc(C)[nH+]c1 87954334 573028610 /nfs/dbraw/zinc/02/86/10/573028610.db2.gz PTTZQLVIXURJGS-JQWIXIFHSA-N 2 2 190.290 2.103 10 0 AEAELP C[NH2+]C[C@@H]1CC[C@@H]1c1c[nH+]ccc1C 87954338 573028740 /nfs/dbraw/zinc/02/87/40/573028740.db2.gz IZNJFPRYRBSFSA-QWRGUYRKSA-N 2 2 190.290 2.103 10 0 AEAELP CCC(CC)[C@H]([NH3+])c1c[nH+]c(C)n1C 308477172 573028756 /nfs/dbraw/zinc/02/87/56/573028756.db2.gz LNQQDHRSQOQYHC-NSHDSACASA-N 2 2 195.310 2.165 10 0 AEAELP C[NH2+]C[C@H]1CC[C@H]1c1c[nH+]ccc1C 87954335 573028789 /nfs/dbraw/zinc/02/87/89/573028789.db2.gz IZNJFPRYRBSFSA-GHMZBOCLSA-N 2 2 190.290 2.103 10 0 AEAELP C[NH2+]C[C@@H]1CC[C@H]1c1ccc(C)[nH+]c1 87954333 573029082 /nfs/dbraw/zinc/02/90/82/573029082.db2.gz PTTZQLVIXURJGS-CMPLNLGQSA-N 2 2 190.290 2.103 10 0 AEAELP CC[C@@H](C)[C@@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49662393 573029792 /nfs/dbraw/zinc/02/97/92/573029792.db2.gz NFYIRWRPSAAALV-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[C@@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49662393 573029798 /nfs/dbraw/zinc/02/97/98/573029798.db2.gz NFYIRWRPSAAALV-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+]C[C@@H]1CC[C@H]1c1c[nH+]ccc1C 87954337 573029941 /nfs/dbraw/zinc/02/99/41/573029941.db2.gz IZNJFPRYRBSFSA-WDEREUQCSA-N 2 2 190.290 2.103 10 0 AEAELP Cc1cc[nH+]cc1[C@@H]1CC[C@@H]([NH3+])[C@@H]1C 85442938 573030314 /nfs/dbraw/zinc/03/03/14/573030314.db2.gz CWQFVUNZEBPQNX-CKYFFXLPSA-N 2 2 190.290 2.231 10 0 AEAELP Cc1cc[nH+]cc1[C@@H]1CCC[C@H]([NH3+])C1 85442725 573030326 /nfs/dbraw/zinc/03/03/26/573030326.db2.gz ICXTXACMVURVIT-MNOVXSKESA-N 2 2 190.290 2.375 10 0 AEAELP CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](C)[NH2+]C)C1 308487050 573051531 /nfs/dbraw/zinc/05/15/31/573051531.db2.gz OUOQQVCWVRFHHY-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](C)[NH2+]C)C1 308487050 573051540 /nfs/dbraw/zinc/05/15/40/573051540.db2.gz OUOQQVCWVRFHHY-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CCC1CC([NH2+]CC[NH+](CC)CC)C1 308632661 573593935 /nfs/dbraw/zinc/59/39/35/573593935.db2.gz ZPQMEGBKEXAQMD-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@H]1CCC[N@H+](CC(C)C)C1(C)C 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43817415 573871406 /nfs/dbraw/zinc/87/14/06/573871406.db2.gz ILAISOLOPNHXHO-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43895807 573871718 /nfs/dbraw/zinc/87/17/18/573871718.db2.gz QHSDLEKTPJXHII-NWDGAFQWSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43895807 573871723 /nfs/dbraw/zinc/87/17/23/573871723.db2.gz QHSDLEKTPJXHII-NWDGAFQWSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[N@H+](CC)[C@@H](C)[C@@H](CC)[NH2+]C 43884334 573871744 /nfs/dbraw/zinc/87/17/44/573871744.db2.gz APNOPHDOMLIZPL-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@@H+](CC)[C@@H](C)[C@@H](CC)[NH2+]C 43884334 573871748 /nfs/dbraw/zinc/87/17/48/573871748.db2.gz APNOPHDOMLIZPL-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP CCC(CC)[N@H+](C)[C@H]1CCC[C@@H]1[NH2+]C 43895809 573871821 /nfs/dbraw/zinc/87/18/21/573871821.db2.gz QHSDLEKTPJXHII-RYUDHWBXSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[N@@H+](C)[C@H]1CCC[C@@H]1[NH2+]C 43895809 573871826 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LZDOATDOXVYKKG-NWDGAFQWSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1C 44561337 573917153 /nfs/dbraw/zinc/91/71/53/573917153.db2.gz OGYMCPJPBRNIIH-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1C 44561337 573917158 /nfs/dbraw/zinc/91/71/58/573917158.db2.gz OGYMCPJPBRNIIH-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C 44561335 573917256 /nfs/dbraw/zinc/91/72/56/573917256.db2.gz OGYMCPJPBRNIIH-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1C 44561335 573917263 /nfs/dbraw/zinc/91/72/63/573917263.db2.gz OGYMCPJPBRNIIH-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@]1([C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 258180650 573918484 /nfs/dbraw/zinc/91/84/84/573918484.db2.gz LZDOATDOXVYKKG-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1([C@@H]2CCCC[N@H+]2C)CCC[NH2+]1 258180650 573918493 /nfs/dbraw/zinc/91/84/93/573918493.db2.gz LZDOATDOXVYKKG-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP C[N@H+](CC[NH2+]C1CCCC1)C1CCC1 127559953 573918584 /nfs/dbraw/zinc/91/85/84/573918584.db2.gz DNBJAWWIYQTLIV-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP C[N@@H+](CC[NH2+]C1CCCC1)C1CCC1 127559953 573918588 /nfs/dbraw/zinc/91/85/88/573918588.db2.gz DNBJAWWIYQTLIV-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1([C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 258180642 573918619 /nfs/dbraw/zinc/91/86/19/573918619.db2.gz LZDOATDOXVYKKG-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1([C@H]2CCCC[N@H+]2C)CCC[NH2+]1 258180642 573918626 /nfs/dbraw/zinc/91/86/26/573918626.db2.gz LZDOATDOXVYKKG-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CCC(CC)[NH2+]C1(C[NH+](C)C)CCC1 393571510 573920981 /nfs/dbraw/zinc/92/09/81/573920981.db2.gz WKEHXBVVCIDPET-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C[N@H+](CC)[C@@H](C)CC)[NH2+]C 223914681 573930542 /nfs/dbraw/zinc/93/05/42/573930542.db2.gz LHAFUPIEVFKVGJ-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H](C[N@@H+](CC)[C@@H](C)CC)[NH2+]C 223914681 573930545 /nfs/dbraw/zinc/93/05/45/573930545.db2.gz LHAFUPIEVFKVGJ-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP C[NH+](C)CC1([NH2+]CC(C)(C)C)CCC1 393573145 573933603 /nfs/dbraw/zinc/93/36/03/573933603.db2.gz YIWAVSCZSHYVDD-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCCCC[N@H+](C)CC[NH2+]CCC 42302609 573937039 /nfs/dbraw/zinc/93/70/39/573937039.db2.gz NJSTXBNEPPUJHK-UHFFFAOYSA-N 2 2 186.343 2.108 10 0 AEAELP CCCCC[N@@H+](C)CC[NH2+]CCC 42302609 573937043 /nfs/dbraw/zinc/93/70/43/573937043.db2.gz NJSTXBNEPPUJHK-UHFFFAOYSA-N 2 2 186.343 2.108 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H]1C[NH2+]C(C)(C)C1 131782082 573938577 /nfs/dbraw/zinc/93/85/77/573938577.db2.gz IKMAAOOAMBRGKX-NSHDSACASA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H]1C[NH2+]C(C)(C)C1 131782082 573938581 /nfs/dbraw/zinc/93/85/81/573938581.db2.gz IKMAAOOAMBRGKX-NSHDSACASA-N 2 2 198.354 2.247 10 0 AEAELP CCC[N@H+](CC[NH2+]C)CC1CCCC1 42404319 573939903 /nfs/dbraw/zinc/93/99/03/573939903.db2.gz NSMMTTGZFCCQMT-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP CCC[N@@H+](CC[NH2+]C)CC1CCCC1 42404319 573939908 /nfs/dbraw/zinc/93/99/08/573939908.db2.gz NSMMTTGZFCCQMT-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP Cc1c[nH+]ccc1CC[NH2+]CC(C)C 127783052 573942380 /nfs/dbraw/zinc/94/23/80/573942380.db2.gz ILDJWYQKZSMYLC-UHFFFAOYSA-N 2 2 192.306 2.178 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)CC(C)(C)C 45072551 573942550 /nfs/dbraw/zinc/94/25/50/573942550.db2.gz WTOPYBHJOFQYNK-ZJUUUORDSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)CC(C)(C)C 45072551 573942555 /nfs/dbraw/zinc/94/25/55/573942555.db2.gz WTOPYBHJOFQYNK-ZJUUUORDSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)CC(C)(C)C 45072553 573947082 /nfs/dbraw/zinc/94/70/82/573947082.db2.gz WTOPYBHJOFQYNK-UWVGGRQHSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)CC(C)(C)C 45072553 573947088 /nfs/dbraw/zinc/94/70/88/573947088.db2.gz WTOPYBHJOFQYNK-UWVGGRQHSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)CC(C)(C)C 45072552 573947243 /nfs/dbraw/zinc/94/72/43/573947243.db2.gz WTOPYBHJOFQYNK-NXEZZACHSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)CC(C)(C)C 45072552 573947246 /nfs/dbraw/zinc/94/72/46/573947246.db2.gz WTOPYBHJOFQYNK-NXEZZACHSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[C@@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 212993247 573951756 /nfs/dbraw/zinc/95/17/56/573951756.db2.gz HVBSEBRHBCPXEN-GRYCIOLGSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 212993247 573951759 /nfs/dbraw/zinc/95/17/59/573951759.db2.gz HVBSEBRHBCPXEN-GRYCIOLGSA-N 2 2 198.354 2.377 10 0 AEAELP Cc1ccsc1[C@H]([NH3+])C[NH2+]C(C)C 259249353 573951561 /nfs/dbraw/zinc/95/15/61/573951561.db2.gz IBJAKDBGFQJWJQ-SECBINFHSA-N 2 2 198.335 2.054 10 0 AEAELP C[N@H+](CC(C)(C)C)C[C@](C)([NH3+])C1CC1 45089632 573951601 /nfs/dbraw/zinc/95/16/01/573951601.db2.gz IEOBOJYCHSKFAY-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP 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573997744 /nfs/dbraw/zinc/99/77/44/573997744.db2.gz GZIIIGJEMMGBFQ-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1(C)C 259300103 573997957 /nfs/dbraw/zinc/99/79/57/573997957.db2.gz HLEUGAXHRXEUEN-LLVKDONJSA-N 2 2 196.338 2.001 10 0 AEAELP C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1(C)C 259300103 573997959 /nfs/dbraw/zinc/99/79/59/573997959.db2.gz HLEUGAXHRXEUEN-LLVKDONJSA-N 2 2 196.338 2.001 10 0 AEAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](C)C1CCC1 127906558 573998108 /nfs/dbraw/zinc/99/81/08/573998108.db2.gz BHCPRWZEKJSJBY-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](C)C1CCC1 127906558 573998112 /nfs/dbraw/zinc/99/81/12/573998112.db2.gz BHCPRWZEKJSJBY-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[NH2+]CC[N@H+](C)C1CCC1 127945510 573998292 /nfs/dbraw/zinc/99/82/92/573998292.db2.gz YHFVGEXYRFPBQP-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)C[C@H](C)[N@H+](C)CC(C)(C)[NH3+] 42592997 574000794 /nfs/dbraw/zinc/00/07/94/574000794.db2.gz DBVDGQGGHFSTPW-JTQLQIEISA-N 2 2 186.343 2.090 10 0 AEAELP CC(C)C[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] 42592997 574000796 /nfs/dbraw/zinc/00/07/96/574000796.db2.gz DBVDGQGGHFSTPW-JTQLQIEISA-N 2 2 186.343 2.090 10 0 AEAELP CCC[C@H]([NH3+])c1ccc2[nH+]ccn2c1 104488328 574004769 /nfs/dbraw/zinc/00/47/69/574004769.db2.gz FRUOCUUUNASADE-JTQLQIEISA-N 2 2 189.262 2.134 10 0 AEAELP C[C@H]1C[NH2+][C@H](C)CC[N@@H+]1C1CCCC1 251668562 574004835 /nfs/dbraw/zinc/00/48/35/574004835.db2.gz LJOWEFKPFSTXSL-MNOVXSKESA-N 2 2 196.338 2.001 10 0 AEAELP C[C@H]1C[NH2+][C@H](C)CC[N@H+]1C1CCCC1 251668562 574004837 /nfs/dbraw/zinc/00/48/37/574004837.db2.gz LJOWEFKPFSTXSL-MNOVXSKESA-N 2 2 196.338 2.001 10 0 AEAELP C[C@H]1CC[N@H+](C2CCCC2)[C@@H](C)C[NH2+]1 251668565 574005212 /nfs/dbraw/zinc/00/52/12/574005212.db2.gz LJOWEFKPFSTXSL-QWRGUYRKSA-N 2 2 196.338 2.001 10 0 AEAELP C[C@H]1CC[N@@H+](C2CCCC2)[C@@H](C)C[NH2+]1 251668565 574005217 /nfs/dbraw/zinc/00/52/17/574005217.db2.gz LJOWEFKPFSTXSL-QWRGUYRKSA-N 2 2 196.338 2.001 10 0 AEAELP CC(C)c1c[nH+]ccc1C[C@@H](C)[NH3+] 259276415 574019918 /nfs/dbraw/zinc/01/99/18/574019918.db2.gz MBTFOWPDPICNRT-SECBINFHSA-N 2 2 178.279 2.095 10 0 AEAELP CCC(C)(C)[NH2+]CCCn1cc[nH+]c1 49327557 574029755 /nfs/dbraw/zinc/02/97/55/574029755.db2.gz GYIVMUWLVSHYNR-UHFFFAOYSA-N 2 2 195.310 2.051 10 0 AEAELP CCCC[NH2+]CC[N@@H+]1CCCC[C@H]1C 53343376 673946479 /nfs/dbraw/zinc/94/64/79/673946479.db2.gz QWBMEEXEARNFGD-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCCC[NH2+]CC[N@H+]1CCCC[C@H]1C 53343376 673946481 /nfs/dbraw/zinc/94/64/81/673946481.db2.gz QWBMEEXEARNFGD-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCCC[NH2+]CC[N@@H+]1CCCC[C@@H]1C 53343375 673946541 /nfs/dbraw/zinc/94/65/41/673946541.db2.gz QWBMEEXEARNFGD-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CCCC[NH2+]CC[N@H+]1CCCC[C@@H]1C 53343375 673946543 /nfs/dbraw/zinc/94/65/43/673946543.db2.gz QWBMEEXEARNFGD-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 130228985 1169182125 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10 0 AEAELP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C 249900639 571795009 /nfs/dbraw/zinc/79/50/09/571795009.db2.gz GHKKPVNYAYPWCX-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C 249900639 571795010 /nfs/dbraw/zinc/79/50/10/571795010.db2.gz GHKKPVNYAYPWCX-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[N@H+](C1CC1)[C@H]1CCC[C@H]1[NH3+] 249797473 571795108 /nfs/dbraw/zinc/79/51/08/571795108.db2.gz MBTAMHDVSQBOPN-NEPJUHHUSA-N 2 2 196.338 2.131 10 0 AEAELP CCCC[N@@H+](C1CC1)[C@H]1CCC[C@H]1[NH3+] 249797473 571795112 /nfs/dbraw/zinc/79/51/12/571795112.db2.gz MBTAMHDVSQBOPN-NEPJUHHUSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@H+](C)[C@@H](c1ccco1)[C@H](C)[NH3+] 249737228 571795224 /nfs/dbraw/zinc/79/52/24/571795224.db2.gz CEQYZDCXYOANMN-GXSJLCMTSA-N 2 2 196.294 2.010 10 0 AEAELP CCC[N@@H+](C)[C@@H](c1ccco1)[C@H](C)[NH3+] 249737228 571795228 /nfs/dbraw/zinc/79/52/28/571795228.db2.gz CEQYZDCXYOANMN-GXSJLCMTSA-N 2 2 196.294 2.010 10 0 AEAELP 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CC[N@@H+](C1CCCCC1)[C@@H](C)[C@H](C)[NH3+] 249898242 571795314 /nfs/dbraw/zinc/79/53/14/571795314.db2.gz FTWMZPQWWZNTDV-QWRGUYRKSA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@H+](C1CCCCC1)[C@@H](C)[C@H](C)[NH3+] 249898242 571795315 /nfs/dbraw/zinc/79/53/15/571795315.db2.gz FTWMZPQWWZNTDV-QWRGUYRKSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@H+](CC1CC1)[C@H](C)[C@H](C)[NH2+]C 249972305 571795403 /nfs/dbraw/zinc/79/54/03/571795403.db2.gz KYWVQKYLIYQTMO-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+](CC(C)C)[C@H]1CCCC[C@H]1[NH3+] 249943369 571795416 /nfs/dbraw/zinc/79/54/16/571795416.db2.gz IJAWZQFELXQIOV-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@@H+](CC(C)C)[C@H]1CCCC[C@H]1[NH3+] 249943369 571795420 /nfs/dbraw/zinc/79/54/20/571795420.db2.gz IJAWZQFELXQIOV-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 249814416 571795548 /nfs/dbraw/zinc/79/55/48/571795548.db2.gz DUTGICUPPJAEAS-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CCCC[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 249814416 571795552 /nfs/dbraw/zinc/79/55/52/571795552.db2.gz DUTGICUPPJAEAS-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[N@H+](CC1CC1)[C@@H](C)[C@H](C)[NH2+]C 249972300 571795735 /nfs/dbraw/zinc/79/57/35/571795735.db2.gz KYWVQKYLIYQTMO-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+](CC1CC1)[C@@H](C)[C@H](C)[NH2+]C 249972300 571795738 /nfs/dbraw/zinc/79/57/38/571795738.db2.gz KYWVQKYLIYQTMO-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@H+](CC)[C@@H](C)[C@H](C)[NH2+]C 249789511 571795772 /nfs/dbraw/zinc/79/57/72/571795772.db2.gz JCZGRFPPYCLISP-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CCCC[N@@H+](CC)[C@@H](C)[C@H](C)[NH2+]C 249789511 571795775 /nfs/dbraw/zinc/79/57/75/571795775.db2.gz JCZGRFPPYCLISP-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@H+](CC)[C@@H]1CCC[C@H]1[NH2+]CC 249970893 571795786 /nfs/dbraw/zinc/79/57/86/571795786.db2.gz KWFKKHIATDWDAX-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](CC)[C@@H]1CCC[C@H]1[NH2+]CC 249970893 571795789 /nfs/dbraw/zinc/79/57/89/571795789.db2.gz KWFKKHIATDWDAX-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH2+]CC[N@@H+]1CC[C@@H](C)C[C@H]1C 249677715 571796044 /nfs/dbraw/zinc/79/60/44/571796044.db2.gz MRNQTEVBBLKMRF-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH2+]CC[N@H+]1CC[C@@H](C)C[C@H]1C 249677715 571796046 /nfs/dbraw/zinc/79/60/46/571796046.db2.gz MRNQTEVBBLKMRF-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[N@H+](C)[C@@H]1CCCC[C@H]1[NH2+]C 249806942 571796185 /nfs/dbraw/zinc/79/61/85/571796185.db2.gz OTLSKQCXVWWJQJ-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH2+]C 249806942 571796190 /nfs/dbraw/zinc/79/61/90/571796190.db2.gz OTLSKQCXVWWJQJ-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+](CC)[C@H](C)[C@H](CC)[NH2+]C 249862155 571796378 /nfs/dbraw/zinc/79/63/78/571796378.db2.gz APNOPHDOMLIZPL-MNOVXSKESA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@@H+](CC)[C@H](C)[C@H](CC)[NH2+]C 249862155 571796383 /nfs/dbraw/zinc/79/63/83/571796383.db2.gz APNOPHDOMLIZPL-MNOVXSKESA-N 2 2 186.343 2.105 10 0 AEAELP CC[N@@H+](C1CCCCC1)[C@H](C)[C@H](C)[NH3+] 249898247 571796406 /nfs/dbraw/zinc/79/64/06/571796406.db2.gz FTWMZPQWWZNTDV-WDEREUQCSA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@H+](C1CCCCC1)[C@H](C)[C@H](C)[NH3+] 249898247 571796408 /nfs/dbraw/zinc/79/64/08/571796408.db2.gz FTWMZPQWWZNTDV-WDEREUQCSA-N 2 2 198.354 2.377 10 0 AEAELP CCCC[N@H+](CC)[C@@H]1CCC[C@H]1[NH2+]C 249787437 571796479 /nfs/dbraw/zinc/79/64/79/571796479.db2.gz ILAISOLOPNHXHO-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@@H+](CC)[C@@H]1CCC[C@H]1[NH2+]C 249787437 571796484 /nfs/dbraw/zinc/79/64/84/571796484.db2.gz ILAISOLOPNHXHO-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 249771730 571796583 /nfs/dbraw/zinc/79/65/83/571796583.db2.gz BGADQAJURYVAKM-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 249771730 571796588 /nfs/dbraw/zinc/79/65/88/571796588.db2.gz BGADQAJURYVAKM-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[N@H+](C)[C@@H](c1ccccc1)[C@H](C)[NH3+] 249890326 571796790 /nfs/dbraw/zinc/79/67/90/571796790.db2.gz DHRZWOVMFJGDBK-CMPLNLGQSA-N 2 2 192.306 2.027 10 0 AEAELP CC[N@@H+](C)[C@@H](c1ccccc1)[C@H](C)[NH3+] 249890326 571796792 /nfs/dbraw/zinc/79/67/92/571796792.db2.gz DHRZWOVMFJGDBK-CMPLNLGQSA-N 2 2 192.306 2.027 10 0 AEAELP CCCC[N@H+](C)[C@H]1CCCC[C@H]1[NH2+]C 249806940 571796809 /nfs/dbraw/zinc/79/68/09/571796809.db2.gz OTLSKQCXVWWJQJ-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@@H+](C)[C@H]1CCCC[C@H]1[NH2+]C 249806940 571796812 /nfs/dbraw/zinc/79/68/12/571796812.db2.gz OTLSKQCXVWWJQJ-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 249912416 571796926 /nfs/dbraw/zinc/79/69/26/571796926.db2.gz ZEJQIXFOZSGYGD-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CCCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 249912416 571796930 /nfs/dbraw/zinc/79/69/30/571796930.db2.gz ZEJQIXFOZSGYGD-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 249814420 571797091 /nfs/dbraw/zinc/79/70/91/571797091.db2.gz DUTGICUPPJAEAS-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 249814420 571797094 /nfs/dbraw/zinc/79/70/94/571797094.db2.gz DUTGICUPPJAEAS-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CCCCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 249771732 571797456 /nfs/dbraw/zinc/79/74/56/571797456.db2.gz BGADQAJURYVAKM-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 249771732 571797457 /nfs/dbraw/zinc/79/74/57/571797457.db2.gz BGADQAJURYVAKM-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)[N@H+](C)[C@H]([C@H](C)[NH3+])C(C)(C)C 250517072 571797912 /nfs/dbraw/zinc/79/79/12/571797912.db2.gz QYYGWXUFZWQXIE-VHSXEESVSA-N 2 2 186.343 2.089 10 0 AEAELP CC(C)[N@@H+](C)[C@H]([C@H](C)[NH3+])C(C)(C)C 250517072 571797914 /nfs/dbraw/zinc/79/79/14/571797914.db2.gz QYYGWXUFZWQXIE-VHSXEESVSA-N 2 2 186.343 2.089 10 0 AEAELP C[C@@H](C[NH3+])[N@H+](C)[C@H](C)c1ccccc1 251106249 571797973 /nfs/dbraw/zinc/79/79/73/571797973.db2.gz ODVWPWDBHDRDKO-WDEREUQCSA-N 2 2 192.306 2.027 10 0 AEAELP C[C@@H](C[NH3+])[N@@H+](C)[C@H](C)c1ccccc1 251106249 571797975 /nfs/dbraw/zinc/79/79/75/571797975.db2.gz ODVWPWDBHDRDKO-WDEREUQCSA-N 2 2 192.306 2.027 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](C)[C@H]1CCCC[C@@H]1C 251081342 571798300 /nfs/dbraw/zinc/79/83/00/571798300.db2.gz LWLVAHACTSUELT-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCC[C@@H]1C 251081342 571798305 /nfs/dbraw/zinc/79/83/05/571798305.db2.gz LWLVAHACTSUELT-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1C 250745125 571798341 /nfs/dbraw/zinc/79/83/41/571798341.db2.gz VTWPFKZMTLKVBK-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C 250745125 571798345 /nfs/dbraw/zinc/79/83/45/571798345.db2.gz VTWPFKZMTLKVBK-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+]C[C@H](CC)[N@H+](C)[C@H](C)C1CC1 251108739 571798428 /nfs/dbraw/zinc/79/84/28/571798428.db2.gz SYENWJIJAYJYDV-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+]C[C@H](CC)[N@@H+](C)[C@H](C)C1CC1 251108739 571798432 /nfs/dbraw/zinc/79/84/32/571798432.db2.gz SYENWJIJAYJYDV-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[N@H+](C)[C@H]1CCC[C@H]1[NH2+]C 250745520 571798452 /nfs/dbraw/zinc/79/84/52/571798452.db2.gz QHSDLEKTPJXHII-NEPJUHHUSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[N@@H+](C)[C@H]1CCC[C@H]1[NH2+]C 250745520 571798455 /nfs/dbraw/zinc/79/84/55/571798455.db2.gz QHSDLEKTPJXHII-NEPJUHHUSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C[NH2+]C)[N@@H+]1CCC[C@H](C)[C@H]1C 251095312 571799160 /nfs/dbraw/zinc/79/91/60/571799160.db2.gz PVTLQFUSYMZULC-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C[NH2+]C)[N@H+]1CCC[C@H](C)[C@H]1C 251095312 571799163 /nfs/dbraw/zinc/79/91/63/571799163.db2.gz PVTLQFUSYMZULC-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C[NH2+]C)[N@@H+]1CCC[C@@H](C)[C@H]1C 251095309 571799487 /nfs/dbraw/zinc/79/94/87/571799487.db2.gz PVTLQFUSYMZULC-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C[NH2+]C)[N@H+]1CCC[C@@H](C)[C@H]1C 251095309 571799491 /nfs/dbraw/zinc/79/94/91/571799491.db2.gz PVTLQFUSYMZULC-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H](C)[C@H](C)[NH2+]C 250740509 571799543 /nfs/dbraw/zinc/79/95/43/571799543.db2.gz NUBYPXJMFJARMZ-UWVGGRQHSA-N 2 2 186.343 2.103 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H](C)[C@H](C)[NH2+]C 250740509 571799545 /nfs/dbraw/zinc/79/95/45/571799545.db2.gz NUBYPXJMFJARMZ-UWVGGRQHSA-N 2 2 186.343 2.103 10 0 AEAELP CC(C)C[N@H+](C(C)C)[C@@H](C)[C@H](C)[NH3+] 250589918 571799563 /nfs/dbraw/zinc/79/95/63/571799563.db2.gz KCFVUQJZTDNREF-QWRGUYRKSA-N 2 2 186.343 2.089 10 0 AEAELP CC(C)C[N@@H+](C(C)C)[C@@H](C)[C@H](C)[NH3+] 250589918 571799565 /nfs/dbraw/zinc/79/95/65/571799565.db2.gz KCFVUQJZTDNREF-QWRGUYRKSA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](C)[C@H]1CCCC[C@H]1C 251081344 571799602 /nfs/dbraw/zinc/79/96/02/571799602.db2.gz LWLVAHACTSUELT-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](C)[C@H]1CCCC[C@H]1C 251081344 571799604 /nfs/dbraw/zinc/79/96/04/571799604.db2.gz LWLVAHACTSUELT-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 250590579 571799612 /nfs/dbraw/zinc/79/96/12/571799612.db2.gz KJXGJICZKJABEP-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 250590579 571799615 /nfs/dbraw/zinc/79/96/15/571799615.db2.gz KJXGJICZKJABEP-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 250590581 571799658 /nfs/dbraw/zinc/79/96/58/571799658.db2.gz KJXGJICZKJABEP-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 250590581 571799659 /nfs/dbraw/zinc/79/96/59/571799659.db2.gz KJXGJICZKJABEP-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP 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/nfs/dbraw/zinc/83/34/33/571833433.db2.gz LSENVORMHNUFGU-UMNHJUIQSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252405199 571832669 /nfs/dbraw/zinc/83/26/69/571832669.db2.gz DRSVGFILLKQRTQ-QJPTWQEYSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252405199 571832673 /nfs/dbraw/zinc/83/26/73/571832673.db2.gz DRSVGFILLKQRTQ-QJPTWQEYSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252405201 571832726 /nfs/dbraw/zinc/83/27/26/571832726.db2.gz DRSVGFILLKQRTQ-TUAOUCFPSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252405201 571832730 /nfs/dbraw/zinc/83/27/30/571832730.db2.gz DRSVGFILLKQRTQ-TUAOUCFPSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC 252389059 571833011 /nfs/dbraw/zinc/83/30/11/571833011.db2.gz GRQPMEMRQWWKIU-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CC 252389059 571833018 /nfs/dbraw/zinc/83/30/18/571833018.db2.gz GRQPMEMRQWWKIU-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@H](C)C(C)C 252409914 571833191 /nfs/dbraw/zinc/83/31/91/571833191.db2.gz KZIMIPNRPNGASP-MXWKQRLJSA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 252409914 571833192 /nfs/dbraw/zinc/83/31/92/571833192.db2.gz KZIMIPNRPNGASP-MXWKQRLJSA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@H]1[NH2+]C 251759133 571833614 /nfs/dbraw/zinc/83/36/14/571833614.db2.gz HNGUKYSGESALPV-QJPTWQEYSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@H]1[NH2+]C 251759133 571833619 /nfs/dbraw/zinc/83/36/19/571833619.db2.gz HNGUKYSGESALPV-QJPTWQEYSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCCC[C@H]1C 252199724 571833644 /nfs/dbraw/zinc/83/36/44/571833644.db2.gz TUHSXGXDZJZEAZ-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCCC[C@H]1C 252199724 571833648 /nfs/dbraw/zinc/83/36/48/571833648.db2.gz TUHSXGXDZJZEAZ-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1CCCCC[N@@H+]1C[C@H](C)[NH2+]C 252846633 571834135 /nfs/dbraw/zinc/83/41/35/571834135.db2.gz GYDQXZRBRVOFGQ-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1CCCCC[N@H+]1C[C@H](C)[NH2+]C 252846633 571834136 /nfs/dbraw/zinc/83/41/36/571834136.db2.gz GYDQXZRBRVOFGQ-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252436253 571834158 /nfs/dbraw/zinc/83/41/58/571834158.db2.gz NXYKHRMESYXNIV-QJPTWQEYSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252436253 571834159 /nfs/dbraw/zinc/83/41/59/571834159.db2.gz NXYKHRMESYXNIV-QJPTWQEYSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@](C)([NH3+])C[N@H+](C)[C@H](C)CC 252433277 571834189 /nfs/dbraw/zinc/83/41/89/571834189.db2.gz KBKQOMMQNDBQIX-MNOVXSKESA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@](C)([NH3+])C[N@@H+](C)[C@H](C)CC 252433277 571834191 /nfs/dbraw/zinc/83/41/91/571834191.db2.gz KBKQOMMQNDBQIX-MNOVXSKESA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@@H](C)[N@H+](C)[C@H](C[NH3+])c1ccco1 252435340 571834240 /nfs/dbraw/zinc/83/42/40/571834240.db2.gz JIVWPXSBICNAAO-NXEZZACHSA-N 2 2 196.294 2.010 10 0 AEAELP CC[C@@H](C)[N@@H+](C)[C@H](C[NH3+])c1ccco1 252435340 571834242 /nfs/dbraw/zinc/83/42/42/571834242.db2.gz JIVWPXSBICNAAO-NXEZZACHSA-N 2 2 196.294 2.010 10 0 AEAELP CCCCC[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252435793 571834549 /nfs/dbraw/zinc/83/45/49/571834549.db2.gz LIJNCCNADWAPNT-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252435793 571834550 /nfs/dbraw/zinc/83/45/50/571834550.db2.gz LIJNCCNADWAPNT-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@](C)([NH3+])C[N@H+](C)[C@H](C)C1CC1 252434546 571834558 /nfs/dbraw/zinc/83/45/58/571834558.db2.gz ZOZAAIYMVLUDGT-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@](C)([NH3+])C[N@@H+](C)[C@H](C)C1CC1 252434546 571834560 /nfs/dbraw/zinc/83/45/60/571834560.db2.gz ZOZAAIYMVLUDGT-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCC[C@H]1CC 252435773 571834628 /nfs/dbraw/zinc/83/46/28/571834628.db2.gz LGGNEOYEAUKPDR-UTUOFQBUSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCCC[C@H]1CC 252435773 571834631 /nfs/dbraw/zinc/83/46/31/571834631.db2.gz LGGNEOYEAUKPDR-UTUOFQBUSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H](C)[N@H+](CC)[C@H]1CCCC[C@@H]1[NH3+] 252436310 571834728 /nfs/dbraw/zinc/83/47/28/571834728.db2.gz OICGBGVJYVALNM-SRVKXCTJSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H](C)[N@@H+](CC)[C@H]1CCCC[C@@H]1[NH3+] 252436310 571834729 /nfs/dbraw/zinc/83/47/29/571834729.db2.gz OICGBGVJYVALNM-SRVKXCTJSA-N 2 2 198.354 2.377 10 0 AEAELP CCCCC[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252435792 571834740 /nfs/dbraw/zinc/83/47/40/571834740.db2.gz LIJNCCNADWAPNT-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP CCCCC[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252435792 571834742 /nfs/dbraw/zinc/83/47/42/571834742.db2.gz LIJNCCNADWAPNT-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+]1[C@@H](C)CCC[C@H]1C 687803205 571835034 /nfs/dbraw/zinc/83/50/34/571835034.db2.gz XJUYHSFXHMPGJN-WRWGMCAJSA-N 2 2 198.354 2.375 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 687803205 571835036 /nfs/dbraw/zinc/83/50/36/571835036.db2.gz XJUYHSFXHMPGJN-WRWGMCAJSA-N 2 2 198.354 2.375 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+]1[C@@H](C)CCC[C@H]1C 687803204 571835105 /nfs/dbraw/zinc/83/51/05/571835105.db2.gz XJUYHSFXHMPGJN-WHOHXGKFSA-N 2 2 198.354 2.375 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 687803204 571835106 /nfs/dbraw/zinc/83/51/06/571835106.db2.gz XJUYHSFXHMPGJN-WHOHXGKFSA-N 2 2 198.354 2.375 10 0 AEAELP CCC[N@H+](CC)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252435484 571835216 /nfs/dbraw/zinc/83/52/16/571835216.db2.gz KCAQLOMJQZSCJC-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252435484 571835219 /nfs/dbraw/zinc/83/52/19/571835219.db2.gz KCAQLOMJQZSCJC-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 252436254 571835680 /nfs/dbraw/zinc/83/56/80/571835680.db2.gz NXYKHRMESYXNIV-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 252436254 571835684 /nfs/dbraw/zinc/83/56/84/571835684.db2.gz NXYKHRMESYXNIV-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CCCC[N@@H+]([C@H]1CC[NH2+]C1)[C@H](C)CC 252445304 571837899 /nfs/dbraw/zinc/83/78/99/571837899.db2.gz WTTFKHNTTGMCOX-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+]([C@H]1CC[NH2+]C1)[C@H](C)CC 252445304 571837902 /nfs/dbraw/zinc/83/79/02/571837902.db2.gz WTTFKHNTTGMCOX-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252436255 571835883 /nfs/dbraw/zinc/83/58/83/571835883.db2.gz NXYKHRMESYXNIV-TUAOUCFPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252436255 571835885 /nfs/dbraw/zinc/83/58/85/571835885.db2.gz NXYKHRMESYXNIV-TUAOUCFPSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@](C)([NH3+])C[N@H+](C)[C@H](C)C1CC1 252434547 571835895 /nfs/dbraw/zinc/83/58/95/571835895.db2.gz ZOZAAIYMVLUDGT-ZYHUDNBSSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@](C)([NH3+])C[N@@H+](C)[C@H](C)C1CC1 252434547 571835896 /nfs/dbraw/zinc/83/58/96/571835896.db2.gz ZOZAAIYMVLUDGT-ZYHUDNBSSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]1CCCCC[N@@H+]1[C@H](C)C[NH2+]C 252848762 571835943 /nfs/dbraw/zinc/83/59/43/571835943.db2.gz IAFJNHPJCVPYRX-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1CCCCC[N@H+]1[C@H](C)C[NH2+]C 252848762 571835945 /nfs/dbraw/zinc/83/59/45/571835945.db2.gz IAFJNHPJCVPYRX-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]1CCCCC[N@@H+]1C[C@H](C)[NH2+]C 252846632 571835958 /nfs/dbraw/zinc/83/59/58/571835958.db2.gz GYDQXZRBRVOFGQ-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]1CCCCC[N@H+]1C[C@H](C)[NH2+]C 252846632 571835962 /nfs/dbraw/zinc/83/59/62/571835962.db2.gz GYDQXZRBRVOFGQ-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]1CCCCC[N@@H+]1[C@H](C)C[NH2+]C 252848764 571836522 /nfs/dbraw/zinc/83/65/22/571836522.db2.gz IAFJNHPJCVPYRX-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]1CCCCC[N@H+]1[C@H](C)C[NH2+]C 252848764 571836525 /nfs/dbraw/zinc/83/65/25/571836525.db2.gz IAFJNHPJCVPYRX-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[N@H+](CC)[C@H]1CCCC[C@H]1[NH3+] 252436311 571836536 /nfs/dbraw/zinc/83/65/36/571836536.db2.gz OICGBGVJYVALNM-TUAOUCFPSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H](C)[N@@H+](CC)[C@H]1CCCC[C@H]1[NH3+] 252436311 571836540 /nfs/dbraw/zinc/83/65/40/571836540.db2.gz OICGBGVJYVALNM-TUAOUCFPSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@H+](C)[C@@H]1C[C@@H](CC)CC[C@H]1[NH3+] 252434455 571836649 /nfs/dbraw/zinc/83/66/49/571836649.db2.gz FPQMXRCZBFSMDD-QJPTWQEYSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](C)[C@@H]1C[C@@H](CC)CC[C@H]1[NH3+] 252434455 571836650 /nfs/dbraw/zinc/83/66/50/571836650.db2.gz FPQMXRCZBFSMDD-QJPTWQEYSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[N@H+](C)[C@H](C[NH3+])c1ccco1 252435341 571837890 /nfs/dbraw/zinc/83/78/90/571837890.db2.gz JIVWPXSBICNAAO-VHSXEESVSA-N 2 2 196.294 2.010 10 0 AEAELP CC[C@H](C)[N@@H+](C)[C@H](C[NH3+])c1ccco1 252435341 571837891 /nfs/dbraw/zinc/83/78/91/571837891.db2.gz JIVWPXSBICNAAO-VHSXEESVSA-N 2 2 196.294 2.010 10 0 AEAELP CCC[N@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] 252434454 571837294 /nfs/dbraw/zinc/83/72/94/571837294.db2.gz FPQMXRCZBFSMDD-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@H]1[NH3+] 252434454 571837301 /nfs/dbraw/zinc/83/73/01/571837301.db2.gz FPQMXRCZBFSMDD-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)C[N@H+](C)[C@H](C)[C@@H]([NH3+])CC 252436853 571837354 /nfs/dbraw/zinc/83/73/54/571837354.db2.gz RVAGRIXUGZQKME-AXFHLTTASA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]([NH3+])CC 252436853 571837356 /nfs/dbraw/zinc/83/73/56/571837356.db2.gz RVAGRIXUGZQKME-AXFHLTTASA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)[C@H](C)CC 252435642 571837939 /nfs/dbraw/zinc/83/79/39/571837939.db2.gz KJPDGTQMFAREBD-MXWKQRLJSA-N 2 2 186.343 2.233 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC)[C@H](C)CC 252435642 571837940 /nfs/dbraw/zinc/83/79/40/571837940.db2.gz KJPDGTQMFAREBD-MXWKQRLJSA-N 2 2 186.343 2.233 10 0 AEAELP CC[C@H](C)C[N@H+](C)[C@H](C)[C@H]([NH3+])CC 252436854 571838358 /nfs/dbraw/zinc/83/83/58/571838358.db2.gz RVAGRIXUGZQKME-HBNTYKKESA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H](C)C[N@@H+](C)[C@H](C)[C@H]([NH3+])CC 252436854 571838361 /nfs/dbraw/zinc/83/83/61/571838361.db2.gz RVAGRIXUGZQKME-HBNTYKKESA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC[C@H]1CC 252435772 571838420 /nfs/dbraw/zinc/83/84/20/571838420.db2.gz LGGNEOYEAUKPDR-TUAOUCFPSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCC[C@H]1CC 252435772 571838422 /nfs/dbraw/zinc/83/84/22/571838422.db2.gz 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CCC(C)(C)[N@H+](C)C[C@H]([NH2+]C)C1CC1 68997073 572017534 /nfs/dbraw/zinc/01/75/34/572017534.db2.gz FIRNJQCUJHXCHY-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@H]([NH2+]C)C1CC1 68997073 572017536 /nfs/dbraw/zinc/01/75/36/572017536.db2.gz FIRNJQCUJHXCHY-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+](CC1CCC1)[C@H](C)[C@H](C)[NH2+]C 300238631 572017670 /nfs/dbraw/zinc/01/76/70/572017670.db2.gz PXMZNNVTLRPEEJ-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+](CC1CCC1)[C@H](C)[C@H](C)[NH2+]C 300238631 572017672 /nfs/dbraw/zinc/01/76/72/572017672.db2.gz PXMZNNVTLRPEEJ-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+](C)C(C)(C)CC 68997261 572017791 /nfs/dbraw/zinc/01/77/91/572017791.db2.gz FCJFDTPZOSSYSC-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+](C)C(C)(C)CC 68997261 572017794 /nfs/dbraw/zinc/01/77/94/572017794.db2.gz FCJFDTPZOSSYSC-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CC[N@H+](CC1CCC1)[C@@H](C)[C@H](C)[NH2+]C 300238630 572018059 /nfs/dbraw/zinc/01/80/59/572018059.db2.gz PXMZNNVTLRPEEJ-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+](CC1CCC1)[C@@H](C)[C@H](C)[NH2+]C 300238630 572018062 /nfs/dbraw/zinc/01/80/62/572018062.db2.gz PXMZNNVTLRPEEJ-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C[N@H+](C)C(C)(C)CC)[NH2+]C 68997000 572018218 /nfs/dbraw/zinc/01/82/18/572018218.db2.gz RPJMLYIHHAIOTR-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H](C[N@@H+](C)C(C)(C)CC)[NH2+]C 68997000 572018225 /nfs/dbraw/zinc/01/82/25/572018225.db2.gz RPJMLYIHHAIOTR-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+](C)C(C)(C)CC 68997265 572018820 /nfs/dbraw/zinc/01/88/20/572018820.db2.gz FCJFDTPZOSSYSC-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+](C)C(C)(C)CC 68997265 572018822 /nfs/dbraw/zinc/01/88/22/572018822.db2.gz FCJFDTPZOSSYSC-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)C(C)(C)CC 68997317 572019063 /nfs/dbraw/zinc/01/90/63/572019063.db2.gz NIBNMHLCPNWCEH-VHSXEESVSA-N 2 2 186.343 2.233 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)C(C)(C)CC 68997317 572019066 /nfs/dbraw/zinc/01/90/66/572019066.db2.gz NIBNMHLCPNWCEH-VHSXEESVSA-N 2 2 186.343 2.233 10 0 AEAELP CC[C@@H](C[N@H+](C)C(C)(C)CC)[NH2+]C 68996994 572019138 /nfs/dbraw/zinc/01/91/38/572019138.db2.gz RPJMLYIHHAIOTR-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H](C[N@@H+](C)C(C)(C)CC)[NH2+]C 68996994 572019142 /nfs/dbraw/zinc/01/91/42/572019142.db2.gz RPJMLYIHHAIOTR-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@@H]([NH2+]C)C1CC1 68997077 572019406 /nfs/dbraw/zinc/01/94/06/572019406.db2.gz FIRNJQCUJHXCHY-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@@H]([NH2+]C)C1CC1 68997077 572019411 /nfs/dbraw/zinc/01/94/11/572019411.db2.gz FIRNJQCUJHXCHY-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 68997168 572019624 /nfs/dbraw/zinc/01/96/24/572019624.db2.gz OFVWOSHLJGHMEQ-WDEREUQCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 68997168 572019626 /nfs/dbraw/zinc/01/96/26/572019626.db2.gz OFVWOSHLJGHMEQ-WDEREUQCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@@H]1CCCC[NH2+]1 68998214 572019856 /nfs/dbraw/zinc/01/98/56/572019856.db2.gz SORRRYHPUBSRJP-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@@H]1CCCC[NH2+]1 68998214 572019858 /nfs/dbraw/zinc/01/98/58/572019858.db2.gz SORRRYHPUBSRJP-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 68997194 572020030 /nfs/dbraw/zinc/02/00/30/572020030.db2.gz IUZIGTGSTCYQFJ-ZJUUUORDSA-N 2 2 186.343 2.103 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 68997194 572020032 /nfs/dbraw/zinc/02/00/32/572020032.db2.gz IUZIGTGSTCYQFJ-ZJUUUORDSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)C(C)(C)CC 68997311 572020142 /nfs/dbraw/zinc/02/01/42/572020142.db2.gz NIBNMHLCPNWCEH-NXEZZACHSA-N 2 2 186.343 2.233 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C(C)(C)CC 68997311 572020143 /nfs/dbraw/zinc/02/01/43/572020143.db2.gz NIBNMHLCPNWCEH-NXEZZACHSA-N 2 2 186.343 2.233 10 0 AEAELP CCC(C)(C)[N@H+](C)CC(C)(C)[NH2+]C 69015545 572020901 /nfs/dbraw/zinc/02/09/01/572020901.db2.gz AJFGDPFXWQIRIO-UHFFFAOYSA-N 2 2 186.343 2.105 10 0 AEAELP CCC(C)(C)[N@@H+](C)CC(C)(C)[NH2+]C 69015545 572020903 /nfs/dbraw/zinc/02/09/03/572020903.db2.gz AJFGDPFXWQIRIO-UHFFFAOYSA-N 2 2 186.343 2.105 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@](C)([NH3+])C1CC1 69015496 572021206 /nfs/dbraw/zinc/02/12/06/572021206.db2.gz ZFDBCDRJBLEDBW-LBPRGKRZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@](C)([NH3+])C1CC1 69015496 572021210 /nfs/dbraw/zinc/02/12/10/572021210.db2.gz ZFDBCDRJBLEDBW-LBPRGKRZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@@](C)([NH3+])C1CC1 69015497 572021942 /nfs/dbraw/zinc/02/19/42/572021942.db2.gz ZFDBCDRJBLEDBW-GFCCVEGCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@@H]([NH3+])C(C)C 69015478 572022151 /nfs/dbraw/zinc/02/21/51/572022151.db2.gz LPXMQCYPMRUALR-SNVBAGLBSA-N 2 2 186.343 2.090 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@@](C)([NH3+])C1CC1 69015497 572021939 /nfs/dbraw/zinc/02/19/39/572021939.db2.gz ZFDBCDRJBLEDBW-GFCCVEGCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@@H]([NH3+])C(C)C 69015478 572022154 /nfs/dbraw/zinc/02/21/54/572022154.db2.gz LPXMQCYPMRUALR-SNVBAGLBSA-N 2 2 186.343 2.090 10 0 AEAELP CCC(C)(C)[N@H+](C)CC1([NH3+])CCCC1 69015539 572022296 /nfs/dbraw/zinc/02/22/96/572022296.db2.gz NQVPHKREPRPRQE-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(C)(C)[N@@H+](C)CC1([NH3+])CCCC1 69015539 572022297 /nfs/dbraw/zinc/02/22/97/572022297.db2.gz NQVPHKREPRPRQE-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@H]([NH3+])C(C)C 69015476 572022814 /nfs/dbraw/zinc/02/28/14/572022814.db2.gz LPXMQCYPMRUALR-JTQLQIEISA-N 2 2 186.343 2.090 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@H]([NH3+])C(C)C 69015476 572022815 /nfs/dbraw/zinc/02/28/15/572022815.db2.gz LPXMQCYPMRUALR-JTQLQIEISA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](C)C1CCC(C)CC1 42488254 572023215 /nfs/dbraw/zinc/02/32/15/572023215.db2.gz WSYIGZJMTGDIHY-CXQJBGSLSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](C)C1CCC(C)CC1 42488254 572023219 /nfs/dbraw/zinc/02/32/19/572023219.db2.gz WSYIGZJMTGDIHY-CXQJBGSLSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[NH2+][C@@H](CCC)Cc1[nH]cc[nH+]1 35586368 572024421 /nfs/dbraw/zinc/02/44/21/572024421.db2.gz GCRPLDGMZUMRLF-JTQLQIEISA-N 2 2 195.310 2.121 10 0 AEAELP CCC[N@@H+](CC1CC1)C[C@H]([NH3+])C(C)C 42491174 572024685 /nfs/dbraw/zinc/02/46/85/572024685.db2.gz RBNRNPFRVZHJNI-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[N@H+](CC1CC1)C[C@H]([NH3+])C(C)C 42491174 572024687 /nfs/dbraw/zinc/02/46/87/572024687.db2.gz RBNRNPFRVZHJNI-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[NH2+][C@H](CCC)Cc1[nH]cc[nH+]1 35586370 572025739 /nfs/dbraw/zinc/02/57/39/572025739.db2.gz GCRPLDGMZUMRLF-SNVBAGLBSA-N 2 2 195.310 2.121 10 0 AEAELP CCCCC[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503667 572028645 /nfs/dbraw/zinc/02/86/45/572028645.db2.gz OTJDOXONZRVWNZ-SNVBAGLBSA-N 2 2 195.310 2.121 10 0 AEAELP CCCC[C@H](Cc1[nH]cc[nH+]1)[NH2+]CC 35570064 572028680 /nfs/dbraw/zinc/02/86/80/572028680.db2.gz FXTHDSFXMHXUAA-SNVBAGLBSA-N 2 2 195.310 2.121 10 0 AEAELP CC[C@@H](C[N@@H+]1CCC[C@H](C)CC1)[NH2+]C 82495145 572028744 /nfs/dbraw/zinc/02/87/44/572028744.db2.gz ZACIOQFOWHLUDT-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C[N@H+]1CCC[C@H](C)CC1)[NH2+]C 82495145 572028749 /nfs/dbraw/zinc/02/87/49/572028749.db2.gz ZACIOQFOWHLUDT-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@@H](Cc1[nH]cc[nH+]1)[NH2+]CC 35570062 572028980 /nfs/dbraw/zinc/02/89/80/572028980.db2.gz FXTHDSFXMHXUAA-JTQLQIEISA-N 2 2 195.310 2.121 10 0 AEAELP C[NH2+]C(C)(C)C[N@H+](C)CC1CCCC1 82493406 572029133 /nfs/dbraw/zinc/02/91/33/572029133.db2.gz RTRBESBISPANSJ-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C(C)(C)C[N@@H+](C)CC1CCCC1 82493406 572029137 /nfs/dbraw/zinc/02/91/37/572029137.db2.gz RTRBESBISPANSJ-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C(C)C)[N@H+](C)[C@@H]1CCC[NH2+]C1 82499258 572031203 /nfs/dbraw/zinc/03/12/03/572031203.db2.gz WVLRHLIHDUOFGO-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C(C)C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499258 572031206 /nfs/dbraw/zinc/03/12/06/572031206.db2.gz WVLRHLIHDUOFGO-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[C@H](C)[N@H+](C)[C@@H]1CCC[NH2+]C1 82499202 572031244 /nfs/dbraw/zinc/03/12/44/572031244.db2.gz FYIMOBIAJIIISH-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[C@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499202 572031246 /nfs/dbraw/zinc/03/12/46/572031246.db2.gz FYIMOBIAJIIISH-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]([C@@H](C)C(C)C)[C@@H]1CCC[NH2+]C1 82500286 572031274 /nfs/dbraw/zinc/03/12/74/572031274.db2.gz YRVJYCZWWCAKHE-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]([C@@H](C)C(C)C)[C@@H]1CCC[NH2+]C1 82500286 572031278 /nfs/dbraw/zinc/03/12/78/572031278.db2.gz YRVJYCZWWCAKHE-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)C[N@H+](CC)[C@@H]1CCC[NH2+]C1 82500365 572031375 /nfs/dbraw/zinc/03/13/75/572031375.db2.gz QPOOKCDFZCIFFM-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 82500365 572031376 /nfs/dbraw/zinc/03/13/76/572031376.db2.gz QPOOKCDFZCIFFM-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+]([C@H]1CCC[NH2+]C1)[C@@H](C)C(C)C 82500288 572031606 /nfs/dbraw/zinc/03/16/06/572031606.db2.gz YRVJYCZWWCAKHE-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]([C@H]1CCC[NH2+]C1)[C@@H](C)C(C)C 82500288 572031608 /nfs/dbraw/zinc/03/16/08/572031608.db2.gz YRVJYCZWWCAKHE-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@@H+](CCC)[C@@H]1CCC[NH2+]C1 82500446 572032612 /nfs/dbraw/zinc/03/26/12/572032612.db2.gz LRRYTWHEXXLFPJ-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCC[N@H+]([C@@H](C)CC)[C@@H]1CCC[NH2+]C1 82500470 572032114 /nfs/dbraw/zinc/03/21/14/572032114.db2.gz FBZFLLAEEFLSFG-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+]([C@@H](C)CC)[C@@H]1CCC[NH2+]C1 82500470 572032118 /nfs/dbraw/zinc/03/21/18/572032118.db2.gz FBZFLLAEEFLSFG-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@H+](CC)[C@@H]1CCC[NH2+]C1 82500310 572032325 /nfs/dbraw/zinc/03/23/25/572032325.db2.gz LOBADKLJJHVRMT-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@@H+](CC)[C@@H]1CCC[NH2+]C1 82500310 572032327 /nfs/dbraw/zinc/03/23/27/572032327.db2.gz LOBADKLJJHVRMT-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC)C1CCCC1 35765942 572032499 /nfs/dbraw/zinc/03/24/99/572032499.db2.gz SJQJSGIXPTUDCX-PWSUYJOCSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)C1CCCC1 35765942 572032506 /nfs/dbraw/zinc/03/25/06/572032506.db2.gz SJQJSGIXPTUDCX-PWSUYJOCSA-N 2 2 198.354 2.377 10 0 AEAELP CCCC[N@H+](CCC)[C@@H]1CCC[NH2+]C1 82500446 572032608 /nfs/dbraw/zinc/03/26/08/572032608.db2.gz LRRYTWHEXXLFPJ-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CC[C@H](C)[C@H](C)[N@H+](C)[C@@H]1CCC[NH2+]C1 82499204 572032642 /nfs/dbraw/zinc/03/26/42/572032642.db2.gz FYIMOBIAJIIISH-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499204 572032643 /nfs/dbraw/zinc/03/26/43/572032643.db2.gz FYIMOBIAJIIISH-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[N@H+](C)[C@@H]1CCC[NH2+]C1 82499199 572032661 /nfs/dbraw/zinc/03/26/61/572032661.db2.gz FYIMOBIAJIIISH-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499199 572032663 /nfs/dbraw/zinc/03/26/63/572032663.db2.gz FYIMOBIAJIIISH-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[N@H+](CC)[C@@H]1CCC[NH2+]C1 82500257 572032685 /nfs/dbraw/zinc/03/26/85/572032685.db2.gz LOVONBCVCZEXSF-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](C)[N@@H+](CC)[C@@H]1CCC[NH2+]C1 82500257 572032687 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572041810 /nfs/dbraw/zinc/04/18/10/572041810.db2.gz NOGKFCBTNCAALE-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[NH2+]CC[N@@H+](C)CC1=CCCC1 400876373 572041811 /nfs/dbraw/zinc/04/18/11/572041811.db2.gz MSHSRNRFUMRZBO-UHFFFAOYSA-N 2 2 196.338 2.028 10 0 AEAELP CC[C@@H](C[NH2+]C)[N@H+](C)CC1CCCC1 82493063 572042032 /nfs/dbraw/zinc/04/20/32/572042032.db2.gz YBSOZBMPWLJADU-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C[NH2+]C)[N@@H+](C)CC1CCCC1 82493063 572042035 /nfs/dbraw/zinc/04/20/35/572042035.db2.gz YBSOZBMPWLJADU-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)(C)CC[C@@H]([NH3+])Cc1[nH]cc[nH+]1 300909972 572042386 /nfs/dbraw/zinc/04/23/86/572042386.db2.gz RVHHMUZGXPJIAY-SECBINFHSA-N 2 2 195.310 2.106 10 0 AEAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](C)CC1CCCC1 82492333 572042476 /nfs/dbraw/zinc/04/24/76/572042476.db2.gz CFJQGSUUKBIDJS-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](C)CC1CCCC1 82492333 572042481 /nfs/dbraw/zinc/04/24/81/572042481.db2.gz 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C[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)CC1CCCC1 82492331 572043639 /nfs/dbraw/zinc/04/36/39/572043639.db2.gz CFJQGSUUKBIDJS-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)CC1CCCC1 82492294 572043503 /nfs/dbraw/zinc/04/35/03/572043503.db2.gz NOGKFCBTNCAALE-CMPLNLGQSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)CC1CCCC1 82492294 572043506 /nfs/dbraw/zinc/04/35/06/572043506.db2.gz NOGKFCBTNCAALE-CMPLNLGQSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@]1(C)CCC[N@H+](CCC(C)C)C1 219725623 572044187 /nfs/dbraw/zinc/04/41/87/572044187.db2.gz FGIZRHFFIRSJDU-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@]1(C)CCC[N@@H+](CCC(C)C)C1 219725623 572044189 /nfs/dbraw/zinc/04/41/89/572044189.db2.gz FGIZRHFFIRSJDU-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[N@@H+]1[C@@H](C)CC[NH2+]C[C@@H]1C 219727819 572045660 /nfs/dbraw/zinc/04/56/60/572045660.db2.gz GCDKSQOOBNTKSY-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CC[N@H+]1[C@@H](C)CC[NH2+]C[C@@H]1C 219727819 572045662 /nfs/dbraw/zinc/04/56/62/572045662.db2.gz GCDKSQOOBNTKSY-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@@H+]1C[C@@H](C)[NH2+]CCC1(C)C 219729380 572047039 /nfs/dbraw/zinc/04/70/39/572047039.db2.gz MKDGGJJJMJRNNY-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+]1C[C@@H](C)[NH2+]CCC1(C)C 219729380 572047043 /nfs/dbraw/zinc/04/70/43/572047043.db2.gz MKDGGJJJMJRNNY-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)[N@@H+]1CC(C)(C)[NH2+]CCC1(C)C 219730758 572047385 /nfs/dbraw/zinc/04/73/85/572047385.db2.gz OYVLHBXQRUQPLA-UHFFFAOYSA-N 2 2 198.354 2.247 10 0 AEAELP CC(C)[N@H+]1CC(C)(C)[NH2+]CCC1(C)C 219730758 572047388 /nfs/dbraw/zinc/04/73/88/572047388.db2.gz OYVLHBXQRUQPLA-UHFFFAOYSA-N 2 2 198.354 2.247 10 0 AEAELP CCCCC[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H]1C 219735784 572048704 /nfs/dbraw/zinc/04/87/04/572048704.db2.gz AAWIJTUGYSQZEC-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@H+]1CC[C@@H](C)[NH2+]C[C@@H]1C 219735784 572048706 /nfs/dbraw/zinc/04/87/06/572048706.db2.gz AAWIJTUGYSQZEC-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)CC[N@@H+]1CC[C@H](C)[NH2+]C[C@H]1C 219735627 572050959 /nfs/dbraw/zinc/05/09/59/572050959.db2.gz BCIWHHYWRYGJNQ-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CC[N@H+]1CC[C@H](C)[NH2+]C[C@H]1C 219735627 572050960 /nfs/dbraw/zinc/05/09/60/572050960.db2.gz BCIWHHYWRYGJNQ-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[N@@H+]1C[C@H](C)C[NH2+]CC1(C)C 219733195 572051280 /nfs/dbraw/zinc/05/12/80/572051280.db2.gz FUFJUIONLIWGPY-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[N@H+]1C[C@H](C)C[NH2+]CC1(C)C 219733195 572051281 /nfs/dbraw/zinc/05/12/81/572051281.db2.gz FUFJUIONLIWGPY-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@@H+]1CC[C@H](C)[NH2+]CC1(C)C 219736534 572051328 /nfs/dbraw/zinc/05/13/28/572051328.db2.gz MOIVOOGDDCKBBJ-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+]1CC[C@H](C)[NH2+]CC1(C)C 219736534 572051330 /nfs/dbraw/zinc/05/13/30/572051330.db2.gz MOIVOOGDDCKBBJ-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)Cn1c(C[NH3+])c[nH+]c1C 713207157 572051903 /nfs/dbraw/zinc/05/19/03/572051903.db2.gz AKBWZXIXOMIOJI-UHFFFAOYSA-N 2 2 195.310 2.086 10 0 AEAELP CC[C@H](C)c1[nH]c(C[NH2+]C(C)C)c[nH+]1 82562999 572052171 /nfs/dbraw/zinc/05/21/71/572052171.db2.gz WVMLOMACVCQANH-VIFPVBQESA-N 2 2 195.310 2.421 10 0 AEAELP CC[NH2+]Cc1c[nH+]c([C@H](C)CC)[nH]1 82562994 572052453 /nfs/dbraw/zinc/05/24/53/572052453.db2.gz RKASJCZCTDYVIL-MRVPVSSYSA-N 2 2 181.283 2.033 10 0 AEAELP CC[C@H](C)c1[nH]c(C[NH2+]C2CC2)c[nH+]1 82563001 572052793 /nfs/dbraw/zinc/05/27/93/572052793.db2.gz PUOIVNGTVTVRLI-QMMMGPOBSA-N 2 2 193.294 2.175 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c([C@H](C)CC)[nH]1 82562997 572053511 /nfs/dbraw/zinc/05/35/11/572053511.db2.gz FGRXXNCLMNTYME-SECBINFHSA-N 2 2 195.310 2.423 10 0 AEAELP CC[NH2+]Cc1c[nH+]c([C@@H](C)CC)[nH]1 82562995 572053918 /nfs/dbraw/zinc/05/39/18/572053918.db2.gz RKASJCZCTDYVIL-QMMMGPOBSA-N 2 2 181.283 2.033 10 0 AEAELP CC[C@@H](C)c1[nH]c(C[NH2+]C2CC2)c[nH+]1 82563000 572054142 /nfs/dbraw/zinc/05/41/42/572054142.db2.gz PUOIVNGTVTVRLI-MRVPVSSYSA-N 2 2 193.294 2.175 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c([C@@H](C)CC)[nH]1 82562996 572054200 /nfs/dbraw/zinc/05/42/00/572054200.db2.gz FGRXXNCLMNTYME-VIFPVBQESA-N 2 2 195.310 2.423 10 0 AEAELP CC[C@@H](C)c1[nH]c(C[NH2+]C(C)C)c[nH+]1 82562998 572054283 /nfs/dbraw/zinc/05/42/83/572054283.db2.gz WVMLOMACVCQANH-SECBINFHSA-N 2 2 195.310 2.421 10 0 AEAELP C[C@H]([N@H+](C)[C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 42747445 572059894 /nfs/dbraw/zinc/05/98/94/572059894.db2.gz SEXRNKGMQCSJCN-GARJFASQSA-N 2 2 198.354 2.233 10 0 AEAELP C[C@H]([N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 42747445 572059897 /nfs/dbraw/zinc/05/98/97/572059897.db2.gz SEXRNKGMQCSJCN-GARJFASQSA-N 2 2 198.354 2.233 10 0 AEAELP CCC(CC)[N@H+](C)C[C@H]([NH3+])C(C)C 36789308 572064770 /nfs/dbraw/zinc/06/47/70/572064770.db2.gz URKQTSZRYICMQS-NSHDSACASA-N 2 2 186.343 2.090 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@H]([NH3+])C(C)C 36789308 572064772 /nfs/dbraw/zinc/06/47/72/572064772.db2.gz URKQTSZRYICMQS-NSHDSACASA-N 2 2 186.343 2.090 10 0 AEAELP CCC(CC)[N@H+](C)C[C@H]1CCCC[NH2+]1 36789293 572065040 /nfs/dbraw/zinc/06/50/40/572065040.db2.gz AOAQIFAVINJHQO-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@H]1CCCC[NH2+]1 36789293 572065042 /nfs/dbraw/zinc/06/50/42/572065042.db2.gz AOAQIFAVINJHQO-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]CC 82647128 572066335 /nfs/dbraw/zinc/06/63/35/572066335.db2.gz OUZNQDVBNPVXCE-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)[C@@H](C)C1CC1 36785601 572065687 /nfs/dbraw/zinc/06/56/87/572065687.db2.gz LSENVORMHNUFGU-NHCYSSNCSA-N 2 2 198.354 2.090 10 0 AEAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)C1CC1 36785601 572065688 /nfs/dbraw/zinc/06/56/88/572065688.db2.gz LSENVORMHNUFGU-NHCYSSNCSA-N 2 2 198.354 2.090 10 0 AEAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CC(C)C 82646923 572065779 /nfs/dbraw/zinc/06/57/79/572065779.db2.gz HHQIAXJAYJCRTH-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CC(C)C 82646923 572065783 /nfs/dbraw/zinc/06/57/83/572065783.db2.gz HHQIAXJAYJCRTH-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C(C)C 82647091 572065844 /nfs/dbraw/zinc/06/58/44/572065844.db2.gz JGXNUUXZYBMZIZ-NEPJUHHUSA-N 2 2 198.354 2.247 10 0 AEAELP CC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C(C)C 82647091 572065845 /nfs/dbraw/zinc/06/58/45/572065845.db2.gz JGXNUUXZYBMZIZ-NEPJUHHUSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CC(C)C 82646922 572066771 /nfs/dbraw/zinc/06/67/71/572066771.db2.gz HHQIAXJAYJCRTH-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)[C@@H](C)C(C)C 36787161 572065939 /nfs/dbraw/zinc/06/59/39/572065939.db2.gz KZIMIPNRPNGASP-DCAQKATOSA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 36787161 572065943 /nfs/dbraw/zinc/06/59/43/572065943.db2.gz KZIMIPNRPNGASP-DCAQKATOSA-N 2 2 186.343 2.089 10 0 AEAELP CC(C)[C@@H]1[NH+]=CC(C)(C)[C@@H]([NH3+])C1(C)C 34247269 572065952 /nfs/dbraw/zinc/06/59/52/572065952.db2.gz CRDBGZXWQJTKJX-VHSXEESVSA-N 2 2 196.338 2.475 10 0 AEAELP CCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH2+]CC 82647129 572065981 /nfs/dbraw/zinc/06/59/81/572065981.db2.gz OUZNQDVBNPVXCE-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH2+]CC 82647129 572065984 /nfs/dbraw/zinc/06/59/84/572065984.db2.gz OUZNQDVBNPVXCE-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]CC 82647128 572066340 /nfs/dbraw/zinc/06/63/40/572066340.db2.gz OUZNQDVBNPVXCE-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CC(C)C 82646922 572066774 /nfs/dbraw/zinc/06/67/74/572066774.db2.gz HHQIAXJAYJCRTH-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@@H](C)C(C)C 36787159 572066794 /nfs/dbraw/zinc/06/67/94/572066794.db2.gz KZIMIPNRPNGASP-AXFHLTTASA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@@H](C)C(C)C 36787159 572066795 /nfs/dbraw/zinc/06/67/95/572066795.db2.gz KZIMIPNRPNGASP-AXFHLTTASA-N 2 2 186.343 2.089 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H](C)[C@H]([NH3+])CC 36788952 572066810 /nfs/dbraw/zinc/06/68/10/572066810.db2.gz MUGWHZAZUVZDEU-GXSJLCMTSA-N 2 2 186.343 2.233 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H](C)[C@H]([NH3+])CC 36788952 572066813 /nfs/dbraw/zinc/06/68/13/572066813.db2.gz MUGWHZAZUVZDEU-GXSJLCMTSA-N 2 2 186.343 2.233 10 0 AEAELP CC(C)[C@H]1[NH+]=CC(C)(C)[C@@H]([NH3+])C1(C)C 34247267 572066840 /nfs/dbraw/zinc/06/68/40/572066840.db2.gz CRDBGZXWQJTKJX-NXEZZACHSA-N 2 2 196.338 2.475 10 0 AEAELP CCC(CC)[N@@H+](C)[C@H](C)[C@H]([NH3+])CC 36788953 572066872 /nfs/dbraw/zinc/06/68/72/572066872.db2.gz MUGWHZAZUVZDEU-MWLCHTKSSA-N 2 2 186.343 2.233 10 0 AEAELP CCC(CC)[N@H+](C)[C@H](C)[C@H]([NH3+])CC 36788953 572066876 /nfs/dbraw/zinc/06/68/76/572066876.db2.gz MUGWHZAZUVZDEU-MWLCHTKSSA-N 2 2 186.343 2.233 10 0 AEAELP CCC(CC)[N@H+](C)C[C@@H]([NH3+])C(C)C 36789309 572067186 /nfs/dbraw/zinc/06/71/86/572067186.db2.gz URKQTSZRYICMQS-LLVKDONJSA-N 2 2 186.343 2.090 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@@H]([NH3+])C(C)C 36789309 572067189 /nfs/dbraw/zinc/06/71/89/572067189.db2.gz URKQTSZRYICMQS-LLVKDONJSA-N 2 2 186.343 2.090 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 36788944 572067196 /nfs/dbraw/zinc/06/71/96/572067196.db2.gz UJIYJTJIILIQEZ-NWDGAFQWSA-N 2 2 198.354 2.377 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 36788944 572067199 /nfs/dbraw/zinc/06/71/99/572067199.db2.gz UJIYJTJIILIQEZ-NWDGAFQWSA-N 2 2 198.354 2.377 10 0 AEAELP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCCC[NH2+]1 36787558 572067458 /nfs/dbraw/zinc/06/74/58/572067458.db2.gz FNTOPTAPPXCESX-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCCC[NH2+]1 36787558 572067462 /nfs/dbraw/zinc/06/74/62/572067462.db2.gz FNTOPTAPPXCESX-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]C 82646988 572067463 /nfs/dbraw/zinc/06/74/63/572067463.db2.gz GTVDOASYEXQRBE-IJLUTSLNSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]C 82646988 572067468 /nfs/dbraw/zinc/06/74/68/572067468.db2.gz GTVDOASYEXQRBE-IJLUTSLNSA-N 2 2 198.354 2.247 10 0 AEAELP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1C(C)C 82647090 572067760 /nfs/dbraw/zinc/06/77/60/572067760.db2.gz JGXNUUXZYBMZIZ-RYUDHWBXSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@@H]1CCCC[NH2+]1 36789292 572067783 /nfs/dbraw/zinc/06/77/83/572067783.db2.gz AOAQIFAVINJHQO-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@H+](C)C[C@@H]1CCCC[NH2+]1 36789292 572067780 /nfs/dbraw/zinc/06/77/80/572067780.db2.gz AOAQIFAVINJHQO-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 36788945 572067730 /nfs/dbraw/zinc/06/77/30/572067730.db2.gz UJIYJTJIILIQEZ-RYUDHWBXSA-N 2 2 198.354 2.377 10 0 AEAELP CCC(CC)[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 36788945 572067732 /nfs/dbraw/zinc/06/77/32/572067732.db2.gz UJIYJTJIILIQEZ-RYUDHWBXSA-N 2 2 198.354 2.377 10 0 AEAELP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1C(C)C 82647090 572067762 /nfs/dbraw/zinc/06/77/62/572067762.db2.gz JGXNUUXZYBMZIZ-RYUDHWBXSA-N 2 2 198.354 2.247 10 0 AEAELP CC(C)[C@@H]1[NH+]=CC(C)(C)[C@H]([NH3+])C1(C)C 34247272 572067910 /nfs/dbraw/zinc/06/79/10/572067910.db2.gz CRDBGZXWQJTKJX-UWVGGRQHSA-N 2 2 196.338 2.475 10 0 AEAELP CC[C@H](C[NH2+]C)[N@@H+]1CCCCC[C@H]1C 251117561 572067944 /nfs/dbraw/zinc/06/79/44/572067944.db2.gz VSJGZRBIDXVLGF-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C[NH2+]C)[N@H+]1CCCCC[C@H]1C 251117561 572067948 /nfs/dbraw/zinc/06/79/48/572067948.db2.gz VSJGZRBIDXVLGF-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)[C@@H](C)C1CC1 36785599 572067959 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KWQDGQOLEUAVRS-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP Cc1c[nH+]cn1-c1ccc2c(c1)CC[NH2+]2 82655813 572069754 /nfs/dbraw/zinc/06/97/54/572069754.db2.gz WJCKAHVBSVDRGR-UHFFFAOYSA-N 2 2 199.257 2.149 10 0 AEAELP CCC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 36790427 572069938 /nfs/dbraw/zinc/06/99/38/572069938.db2.gz DRSVGFILLKQRTQ-SDDRHHMPSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@](C)([NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 82651152 572069842 /nfs/dbraw/zinc/06/98/42/572069842.db2.gz JVLUKPYEJAGBBO-SRVKXCTJSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@](C)([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651152 572069846 /nfs/dbraw/zinc/06/98/46/572069846.db2.gz JVLUKPYEJAGBBO-SRVKXCTJSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 36790427 572069940 /nfs/dbraw/zinc/06/99/40/572069940.db2.gz DRSVGFILLKQRTQ-SDDRHHMPSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+](CC)C1CCCCC1 36871988 572072305 /nfs/dbraw/zinc/07/23/05/572072305.db2.gz KWQDGQOLEUAVRS-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+](CC)C1CCCCC1 36871988 572072307 /nfs/dbraw/zinc/07/23/07/572072307.db2.gz KWQDGQOLEUAVRS-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36873568 572072921 /nfs/dbraw/zinc/07/29/21/572072921.db2.gz KLVULVZQXQEWFW-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H]([NH3+])C[NH+]1[C@@H](C)CCC[C@@H]1C 36873584 572072800 /nfs/dbraw/zinc/07/28/00/572072800.db2.gz GADHVOSHMWSYFN-SRVKXCTJSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36873568 572072924 /nfs/dbraw/zinc/07/29/24/572072924.db2.gz KLVULVZQXQEWFW-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+](CC)C1CCCC1 36873667 572073131 /nfs/dbraw/zinc/07/31/31/572073131.db2.gz GWLUUFHXGWTYBJ-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+](CC)C1CCCC1 36873667 572073134 /nfs/dbraw/zinc/07/31/34/572073134.db2.gz GWLUUFHXGWTYBJ-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP 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/nfs/dbraw/zinc/07/44/49/572074449.db2.gz YHJQAPLZOVYLSU-WDEREUQCSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+](CC)[C@@H](C)CC 36873649 572074451 /nfs/dbraw/zinc/07/44/51/572074451.db2.gz YHJQAPLZOVYLSU-WDEREUQCSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC 36873630 572074552 /nfs/dbraw/zinc/07/45/52/572074552.db2.gz GRQPMEMRQWWKIU-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC 36873630 572074554 /nfs/dbraw/zinc/07/45/54/572074554.db2.gz GRQPMEMRQWWKIU-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([NH+](CC)CC)C1 36879318 572074939 /nfs/dbraw/zinc/07/49/39/572074939.db2.gz JZQTUMJEWZZPAK-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+](CC)CC(C)C 36873647 572074955 /nfs/dbraw/zinc/07/49/55/572074955.db2.gz JVLBZQZDKXQGSN-LLVKDONJSA-N 2 2 186.343 2.092 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CC)C1 36873698 572075005 /nfs/dbraw/zinc/07/50/05/572075005.db2.gz QAGLZKCKKCULDX-NWDGAFQWSA-N 2 2 198.354 2.236 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1CCC[C@H](CC)C1 36873698 572075008 /nfs/dbraw/zinc/07/50/08/572075008.db2.gz QAGLZKCKKCULDX-NWDGAFQWSA-N 2 2 198.354 2.236 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36873569 572075040 /nfs/dbraw/zinc/07/50/40/572075040.db2.gz KLVULVZQXQEWFW-GRYCIOLGSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36873569 572075042 /nfs/dbraw/zinc/07/50/42/572075042.db2.gz KLVULVZQXQEWFW-GRYCIOLGSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1[C@@H](C)CCC[C@H]1C 36873583 572075137 /nfs/dbraw/zinc/07/51/37/572075137.db2.gz GADHVOSHMWSYFN-GRYCIOLGSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1[C@@H](C)CCC[C@H]1C 36873583 572075140 /nfs/dbraw/zinc/07/51/40/572075140.db2.gz GADHVOSHMWSYFN-GRYCIOLGSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@H]([NH3+])C[NH+]1C[C@@H](C)C[C@H](C)C1 36873570 572075216 /nfs/dbraw/zinc/07/52/16/572075216.db2.gz KLVULVZQXQEWFW-SRVKXCTJSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+]1CCC[C@H](CC)C1 36873696 572075723 /nfs/dbraw/zinc/07/57/23/572075723.db2.gz QAGLZKCKKCULDX-RYUDHWBXSA-N 2 2 198.354 2.236 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+](CC)C1CCCC1 36873666 572075339 /nfs/dbraw/zinc/07/53/39/572075339.db2.gz GWLUUFHXGWTYBJ-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+](CC)C1CCCC1 36873666 572075343 /nfs/dbraw/zinc/07/53/43/572075343.db2.gz GWLUUFHXGWTYBJ-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)C 36873687 572075364 /nfs/dbraw/zinc/07/53/64/572075364.db2.gz YWZDBHSDBQYFQF-WDEREUQCSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)C 36873687 572075366 /nfs/dbraw/zinc/07/53/66/572075366.db2.gz YWZDBHSDBQYFQF-WDEREUQCSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+](CC)[C@@H](C)CC 36873648 572075314 /nfs/dbraw/zinc/07/53/14/572075314.db2.gz YHJQAPLZOVYLSU-QWRGUYRKSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+](CC)[C@@H](C)CC 36873648 572075319 /nfs/dbraw/zinc/07/53/19/572075319.db2.gz YHJQAPLZOVYLSU-QWRGUYRKSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+]1CCC[C@H](CC)C1 36873696 572075725 /nfs/dbraw/zinc/07/57/25/572075725.db2.gz QAGLZKCKKCULDX-RYUDHWBXSA-N 2 2 198.354 2.236 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC 36873631 572075459 /nfs/dbraw/zinc/07/54/59/572075459.db2.gz GRQPMEMRQWWKIU-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CC 36873631 572075462 /nfs/dbraw/zinc/07/54/62/572075462.db2.gz GRQPMEMRQWWKIU-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](C)C1CCCCCC1 36872117 572075541 /nfs/dbraw/zinc/07/55/41/572075541.db2.gz VGMPYLJTZMKYBY-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](C)C1CCCCCC1 36872117 572075544 /nfs/dbraw/zinc/07/55/44/572075544.db2.gz VGMPYLJTZMKYBY-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+](CC)CC(C)C 36873646 572075650 /nfs/dbraw/zinc/07/56/50/572075650.db2.gz JVLBZQZDKXQGSN-NSHDSACASA-N 2 2 186.343 2.092 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+](CC)CC(C)C 36873646 572075652 /nfs/dbraw/zinc/07/56/52/572075652.db2.gz JVLBZQZDKXQGSN-NSHDSACASA-N 2 2 186.343 2.092 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+](CCC)C(C)C 36873636 572075913 /nfs/dbraw/zinc/07/59/13/572075913.db2.gz SFHSYLJGUJZWKW-NSHDSACASA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+](CCC)C(C)C 36873636 572075915 /nfs/dbraw/zinc/07/59/15/572075915.db2.gz SFHSYLJGUJZWKW-NSHDSACASA-N 2 2 186.343 2.234 10 0 AEAELP CCC(CC)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 82631633 572075993 /nfs/dbraw/zinc/07/59/93/572075993.db2.gz UDGSKHSPQYHDTI-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 82631633 572075995 /nfs/dbraw/zinc/07/59/95/572075995.db2.gz UDGSKHSPQYHDTI-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 82631639 572076289 /nfs/dbraw/zinc/07/62/89/572076289.db2.gz UDGSKHSPQYHDTI-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 82631639 572076286 /nfs/dbraw/zinc/07/62/86/572076286.db2.gz UDGSKHSPQYHDTI-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 82631636 572076622 /nfs/dbraw/zinc/07/66/22/572076622.db2.gz UDGSKHSPQYHDTI-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 82631636 572076625 /nfs/dbraw/zinc/07/66/25/572076625.db2.gz UDGSKHSPQYHDTI-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 82631622 572077165 /nfs/dbraw/zinc/07/71/65/572077165.db2.gz YSWAIKPBGVGDGG-VIFPVBQESA-N 2 2 195.310 2.324 10 0 AEAELP CCC(CC)[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 82631620 572077371 /nfs/dbraw/zinc/07/73/71/572077371.db2.gz YSWAIKPBGVGDGG-SECBINFHSA-N 2 2 195.310 2.324 10 0 AEAELP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1(C)CC1 36984346 572077760 /nfs/dbraw/zinc/07/77/60/572077760.db2.gz RLTCJBUJVYHTST-JTQLQIEISA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 82631643 572077924 /nfs/dbraw/zinc/07/79/24/572077924.db2.gz UDGSKHSPQYHDTI-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 82631643 572077927 /nfs/dbraw/zinc/07/79/27/572077927.db2.gz UDGSKHSPQYHDTI-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@H+](CC)[C@@H](C)[C@H]([NH3+])CC 36988496 572077961 /nfs/dbraw/zinc/07/79/61/572077961.db2.gz CCXQPYVJHDMFHC-WDEREUQCSA-N 2 2 186.343 2.234 10 0 AEAELP CCCC[N@@H+](CC)[C@@H](C)[C@H]([NH3+])CC 36988496 572077965 /nfs/dbraw/zinc/07/79/65/572077965.db2.gz CCXQPYVJHDMFHC-WDEREUQCSA-N 2 2 186.343 2.234 10 0 AEAELP CCCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36988500 572078520 /nfs/dbraw/zinc/07/85/20/572078520.db2.gz ZEJQIXFOZSGYGD-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CCCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36988500 572078521 /nfs/dbraw/zinc/07/85/21/572078521.db2.gz ZEJQIXFOZSGYGD-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1(C)CC1 36984347 572078645 /nfs/dbraw/zinc/07/86/45/572078645.db2.gz RLTCJBUJVYHTST-SNVBAGLBSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1[C@@H](C)CC 82646191 572078912 /nfs/dbraw/zinc/07/89/12/572078912.db2.gz MKXIKTPUAMKTKQ-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+]C[C@H]1CCCC[N@H+]1[C@@H](C)CC 82646191 572078917 /nfs/dbraw/zinc/07/89/17/572078917.db2.gz MKXIKTPUAMKTKQ-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 82634239 572079090 /nfs/dbraw/zinc/07/90/90/572079090.db2.gz LFQHNGTXRGEIPP-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[C@@H](C)[N@H+]1CCC[NH2+]CC1 82634239 572079106 /nfs/dbraw/zinc/07/91/06/572079106.db2.gz LFQHNGTXRGEIPP-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[C@H](C)[N@@H+]1CCC[NH2+]CC1 82634241 572079136 /nfs/dbraw/zinc/07/91/36/572079136.db2.gz LFQHNGTXRGEIPP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[C@H](C)[N@H+]1CCC[NH2+]CC1 82634241 572079139 /nfs/dbraw/zinc/07/91/39/572079139.db2.gz LFQHNGTXRGEIPP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP Cc1c[nH]c(Nc2ccc[nH+]c2C)[nH+]1 235858006 572079198 /nfs/dbraw/zinc/07/91/98/572079198.db2.gz CMTYADRTHDEHJQ-UHFFFAOYSA-N 2 2 188.234 2.165 10 0 AEAELP CCCC[N@H+](CC)[C@H](C)[C@H]([NH3+])CC 36988497 572079442 /nfs/dbraw/zinc/07/94/42/572079442.db2.gz CCXQPYVJHDMFHC-GHMZBOCLSA-N 2 2 186.343 2.234 10 0 AEAELP CCCC[N@@H+](CC)[C@H](C)[C@H]([NH3+])CC 36988497 572079444 /nfs/dbraw/zinc/07/94/44/572079444.db2.gz CCXQPYVJHDMFHC-GHMZBOCLSA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@H]1CCCC[C@H]1[N@H+](C)C[C@@H](C)[NH3+] 82659063 572079815 /nfs/dbraw/zinc/07/98/15/572079815.db2.gz DDKBMPPKIYRZQW-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](C)[NH3+] 82659063 572079818 /nfs/dbraw/zinc/07/98/18/572079818.db2.gz DDKBMPPKIYRZQW-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP C/C=C/C[N@H+]1CCCC[C@H]1C[NH2+]CC 82646164 572080084 /nfs/dbraw/zinc/08/00/84/572080084.db2.gz QLVFWFIRWNOXAW-PYEVWLCESA-N 2 2 196.338 2.027 10 0 AEAELP C/C=C/C[N@@H+]1CCCC[C@H]1C[NH2+]CC 82646164 572080086 /nfs/dbraw/zinc/08/00/86/572080086.db2.gz QLVFWFIRWNOXAW-PYEVWLCESA-N 2 2 196.338 2.027 10 0 AEAELP Cc1c[nH]c(Nc2c[nH+]ccc2C)[nH+]1 235858225 572080162 /nfs/dbraw/zinc/08/01/62/572080162.db2.gz MZIGPBKNPLTLFB-UHFFFAOYSA-N 2 2 188.234 2.165 10 0 AEAELP C/C=C/C[N@H+]1CCCC[C@@H]1C[NH2+]CC 82646165 572080334 /nfs/dbraw/zinc/08/03/34/572080334.db2.gz QLVFWFIRWNOXAW-OGOUPESXSA-N 2 2 196.338 2.027 10 0 AEAELP C/C=C/C[N@@H+]1CCCC[C@@H]1C[NH2+]CC 82646165 572080335 /nfs/dbraw/zinc/08/03/35/572080335.db2.gz QLVFWFIRWNOXAW-OGOUPESXSA-N 2 2 196.338 2.027 10 0 AEAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1[C@H](C)CC 82646190 572080825 /nfs/dbraw/zinc/08/08/25/572080825.db2.gz MKXIKTPUAMKTKQ-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+]C[C@H]1CCCC[N@H+]1[C@H](C)CC 82646190 572080827 /nfs/dbraw/zinc/08/08/27/572080827.db2.gz MKXIKTPUAMKTKQ-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](C)[NH3+] 82659051 572080858 /nfs/dbraw/zinc/08/08/58/572080858.db2.gz DDKBMPPKIYRZQW-UTUOFQBUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](C)[NH3+] 82659051 572080860 /nfs/dbraw/zinc/08/08/60/572080860.db2.gz DDKBMPPKIYRZQW-UTUOFQBUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](C)[NH3+] 82659059 572080953 /nfs/dbraw/zinc/08/09/53/572080953.db2.gz DDKBMPPKIYRZQW-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](C)[NH3+] 82659059 572080956 /nfs/dbraw/zinc/08/09/56/572080956.db2.gz DDKBMPPKIYRZQW-IJLUTSLNSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+]Cc1c[nH+]c(CC(C)(C)C)[nH]1 82675145 572082866 /nfs/dbraw/zinc/08/28/66/572082866.db2.gz SYQXFYCDWMGCPU-UHFFFAOYSA-N 2 2 195.310 2.108 10 0 AEAELP CC[NH2+]C[C@H](CC)[N@H+](CC)CC1CC1 82686872 572084682 /nfs/dbraw/zinc/08/46/82/572084682.db2.gz VMJQDRBXRHWVFO-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH2+]C[C@H](CC)[N@@H+](CC)CC1CC1 82686872 572084685 /nfs/dbraw/zinc/08/46/85/572084685.db2.gz VMJQDRBXRHWVFO-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C[NH2+]C)[N@H+](C)C(C)(C)CC 82687736 572085017 /nfs/dbraw/zinc/08/50/17/572085017.db2.gz DBRVZTFREIHBCX-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H](C[NH2+]C)[N@@H+](C)C(C)(C)CC 82687736 572085020 /nfs/dbraw/zinc/08/50/20/572085020.db2.gz DBRVZTFREIHBCX-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](C)C1CCCC1 37092894 572085925 /nfs/dbraw/zinc/08/59/25/572085925.db2.gz UDJITBZZAHNSPF-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+]C[C@@H](CC)[N@@H+](CC)CC1CC1 82686873 572085947 /nfs/dbraw/zinc/08/59/47/572085947.db2.gz VMJQDRBXRHWVFO-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](C)C1CCCC1 37092894 572085929 /nfs/dbraw/zinc/08/59/29/572085929.db2.gz UDJITBZZAHNSPF-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+]C[C@@H](CC)[N@H+](CC)CC1CC1 82686873 572085942 /nfs/dbraw/zinc/08/59/42/572085942.db2.gz VMJQDRBXRHWVFO-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])C(C)C 37083500 572086317 /nfs/dbraw/zinc/08/63/17/572086317.db2.gz FEGZDYUOEKOUBU-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]1CCCC[N@H+]1C[C@H]([NH3+])C(C)C 37083500 572086320 /nfs/dbraw/zinc/08/63/20/572086320.db2.gz FEGZDYUOEKOUBU-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C[NH2+]C)[N@H+](C)C(C)(C)CC 82687737 572086474 /nfs/dbraw/zinc/08/64/74/572086474.db2.gz DBRVZTFREIHBCX-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H](C[NH2+]C)[N@@H+](C)C(C)(C)CC 82687737 572086476 /nfs/dbraw/zinc/08/64/76/572086476.db2.gz DBRVZTFREIHBCX-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)C1CCCC1 37092895 572087004 /nfs/dbraw/zinc/08/70/04/572087004.db2.gz UDJITBZZAHNSPF-JQWIXIFHSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)C1CCCC1 37092895 572087006 /nfs/dbraw/zinc/08/70/06/572087006.db2.gz UDJITBZZAHNSPF-JQWIXIFHSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@H+](C(C)C)[C@H](C[NH3+])c1ccco1 37081994 572087070 /nfs/dbraw/zinc/08/70/70/572087070.db2.gz RKBZZZNXVLFZSA-SNVBAGLBSA-N 2 2 196.294 2.010 10 0 AEAELP CC[C@@H](C)[C@H]([NH3+])C[N@H+](C)C1CCCC1 37092892 572087161 /nfs/dbraw/zinc/08/71/61/572087161.db2.gz UDJITBZZAHNSPF-ZYHUDNBSSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](C)C1CCCC1 37092892 572087165 /nfs/dbraw/zinc/08/71/65/572087165.db2.gz UDJITBZZAHNSPF-ZYHUDNBSSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)C1CCCC1 37092893 572088035 /nfs/dbraw/zinc/08/80/35/572088035.db2.gz UDJITBZZAHNSPF-CMPLNLGQSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)C1CCCC1 37092893 572088038 /nfs/dbraw/zinc/08/80/38/572088038.db2.gz UDJITBZZAHNSPF-CMPLNLGQSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])C(C)C 37083499 572088132 /nfs/dbraw/zinc/08/81/32/572088132.db2.gz FEGZDYUOEKOUBU-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])C(C)C 37083499 572088134 /nfs/dbraw/zinc/08/81/34/572088134.db2.gz FEGZDYUOEKOUBU-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC)[C@H]1CCCCC[C@@H]1[NH3+] 37094871 572088509 /nfs/dbraw/zinc/08/85/09/572088509.db2.gz ZZSJIHCKKJRDMQ-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@@H+](CC)[C@H]1CCCCC[C@@H]1[NH3+] 37094871 572088510 /nfs/dbraw/zinc/08/85/10/572088510.db2.gz ZZSJIHCKKJRDMQ-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@H+](C[C@H]([NH3+])C(C)C)C(C)C 37096347 572089100 /nfs/dbraw/zinc/08/91/00/572089100.db2.gz XVUBLIDIIYAJEH-NSHDSACASA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](C[C@H]([NH3+])C(C)C)C(C)C 37096347 572089103 /nfs/dbraw/zinc/08/91/03/572089103.db2.gz XVUBLIDIIYAJEH-NSHDSACASA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 37096038 572089760 /nfs/dbraw/zinc/08/97/60/572089760.db2.gz WKUNIXLDVXIDJS-NWDGAFQWSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 37096038 572089762 /nfs/dbraw/zinc/08/97/62/572089762.db2.gz WKUNIXLDVXIDJS-NWDGAFQWSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@H+](CC)[C@@H]1CCCCC[C@@H]1[NH3+] 37094870 572090009 /nfs/dbraw/zinc/09/00/09/572090009.db2.gz ZZSJIHCKKJRDMQ-NWDGAFQWSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@@H+](CC)[C@@H]1CCCCC[C@@H]1[NH3+] 37094870 572090010 /nfs/dbraw/zinc/09/00/10/572090010.db2.gz ZZSJIHCKKJRDMQ-NWDGAFQWSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@H+](C(C)C)[C@H](C)[C@H]([NH3+])CC 37096115 572090048 /nfs/dbraw/zinc/09/00/48/572090048.db2.gz GRHVJRVXNUNHTJ-GHMZBOCLSA-N 2 2 186.343 2.233 10 0 AEAELP CCC[N@@H+](C(C)C)[C@H](C)[C@H]([NH3+])CC 37096115 572090050 /nfs/dbraw/zinc/09/00/50/572090050.db2.gz GRHVJRVXNUNHTJ-GHMZBOCLSA-N 2 2 186.343 2.233 10 0 AEAELP CCC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1[NH3+] 37096039 572090056 /nfs/dbraw/zinc/09/00/56/572090056.db2.gz WKUNIXLDVXIDJS-RYUDHWBXSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1[NH3+] 37096039 572090058 /nfs/dbraw/zinc/09/00/58/572090058.db2.gz WKUNIXLDVXIDJS-RYUDHWBXSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37094878 572090714 /nfs/dbraw/zinc/09/07/14/572090714.db2.gz KCAQLOMJQZSCJC-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](CC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37094878 572090718 /nfs/dbraw/zinc/09/07/18/572090718.db2.gz KCAQLOMJQZSCJC-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](C(C)C)[C@@H](C)[C@H]([NH3+])CC 37096114 572090743 /nfs/dbraw/zinc/09/07/43/572090743.db2.gz GRHVJRVXNUNHTJ-WDEREUQCSA-N 2 2 186.343 2.233 10 0 AEAELP CCC[N@@H+](C(C)C)[C@@H](C)[C@H]([NH3+])CC 37096114 572090746 /nfs/dbraw/zinc/09/07/46/572090746.db2.gz GRHVJRVXNUNHTJ-WDEREUQCSA-N 2 2 186.343 2.233 10 0 AEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccsc1 37098030 572092310 /nfs/dbraw/zinc/09/23/10/572092310.db2.gz JHAUKONTDOWDNT-SNVBAGLBSA-N 2 2 198.335 2.090 10 0 AEAELP CCC[N@H+](CC)CC1([NH3+])CCCCC1 37095197 572091724 /nfs/dbraw/zinc/09/17/24/572091724.db2.gz LWGAHAKYMNXATI-UHFFFAOYSA-N 2 2 198.354 2.380 10 0 AEAELP CCC[N@@H+](CC)CC1([NH3+])CCCCC1 37095197 572091728 /nfs/dbraw/zinc/09/17/28/572091728.db2.gz LWGAHAKYMNXATI-UHFFFAOYSA-N 2 2 198.354 2.380 10 0 AEAELP CCC[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37097185 572091756 /nfs/dbraw/zinc/09/17/56/572091756.db2.gz GMOUCERMNJBJCH-RYUDHWBXSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@H+](C1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37097185 572091755 /nfs/dbraw/zinc/09/17/55/572091755.db2.gz GMOUCERMNJBJCH-RYUDHWBXSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37097184 572091840 /nfs/dbraw/zinc/09/18/40/572091840.db2.gz GMOUCERMNJBJCH-NWDGAFQWSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37097184 572091843 /nfs/dbraw/zinc/09/18/43/572091843.db2.gz GMOUCERMNJBJCH-NWDGAFQWSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccsc1 37098029 572091987 /nfs/dbraw/zinc/09/19/87/572091987.db2.gz JHAUKONTDOWDNT-JTQLQIEISA-N 2 2 198.335 2.090 10 0 AEAELP CC(C)C[N@H+](C)CC1([NH3+])CCCCC1 37108718 572092179 /nfs/dbraw/zinc/09/21/79/572092179.db2.gz BAKKQLISUPIPEX-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC(C)C[N@@H+](C)CC1([NH3+])CCCCC1 37108718 572092180 /nfs/dbraw/zinc/09/21/80/572092180.db2.gz BAKKQLISUPIPEX-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CCC[N@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] 37098363 572094300 /nfs/dbraw/zinc/09/43/00/572094300.db2.gz FPQMXRCZBFSMDD-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](C)[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] 37098363 572094302 /nfs/dbraw/zinc/09/43/02/572094302.db2.gz FPQMXRCZBFSMDD-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H](C)[N@H+](C)CC1([NH3+])CCCCC1 37110398 572095866 /nfs/dbraw/zinc/09/58/66/572095866.db2.gz MFQHQFSOKUZGRK-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H](C)[N@@H+](C)CC1([NH3+])CCCCC1 37110398 572095868 /nfs/dbraw/zinc/09/58/68/572095868.db2.gz MFQHQFSOKUZGRK-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](CC)CC(C)C 37111537 572096080 /nfs/dbraw/zinc/09/60/80/572096080.db2.gz FFVKBLHFCFUQQR-WDEREUQCSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](CC)CC(C)C 37111537 572096083 /nfs/dbraw/zinc/09/60/83/572096083.db2.gz FFVKBLHFCFUQQR-WDEREUQCSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@H+](CC)CC(C)C 37111536 572096145 /nfs/dbraw/zinc/09/61/45/572096145.db2.gz FFVKBLHFCFUQQR-QWRGUYRKSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](CC)CC(C)C 37111536 572096148 /nfs/dbraw/zinc/09/61/48/572096148.db2.gz FFVKBLHFCFUQQR-QWRGUYRKSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccco1 37109901 572096535 /nfs/dbraw/zinc/09/65/35/572096535.db2.gz JIVWPXSBICNAAO-UWVGGRQHSA-N 2 2 196.294 2.010 10 0 AEAELP CC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccco1 37109901 572096538 /nfs/dbraw/zinc/09/65/38/572096538.db2.gz JIVWPXSBICNAAO-UWVGGRQHSA-N 2 2 196.294 2.010 10 0 AEAELP CC[C@H](C)[N@H+](CC)[C@@H]1CCCC[C@@H]1[NH3+] 37112954 572097223 /nfs/dbraw/zinc/09/72/23/572097223.db2.gz OICGBGVJYVALNM-SDDRHHMPSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H](C)[N@@H+](CC)[C@@H]1CCCC[C@@H]1[NH3+] 37112954 572097228 /nfs/dbraw/zinc/09/72/28/572097228.db2.gz OICGBGVJYVALNM-SDDRHHMPSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H](C)[N@H+](CC)C[C@H]([NH3+])C(C)C 37113406 572097995 /nfs/dbraw/zinc/09/79/95/572097995.db2.gz ZGDOFKIGSAJPCM-QWRGUYRKSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H](C)[N@@H+](CC)C[C@H]([NH3+])C(C)C 37113406 572098000 /nfs/dbraw/zinc/09/80/00/572098000.db2.gz ZGDOFKIGSAJPCM-QWRGUYRKSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](CC)CC(C)C 37111535 572098425 /nfs/dbraw/zinc/09/84/25/572098425.db2.gz FFVKBLHFCFUQQR-GHMZBOCLSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](CC)CC(C)C 37111535 572098432 /nfs/dbraw/zinc/09/84/32/572098432.db2.gz FFVKBLHFCFUQQR-GHMZBOCLSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC)CC(C)C 37111534 572098955 /nfs/dbraw/zinc/09/89/55/572098955.db2.gz FFVKBLHFCFUQQR-MNOVXSKESA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)CC(C)C 37111534 572098958 /nfs/dbraw/zinc/09/89/58/572098958.db2.gz FFVKBLHFCFUQQR-MNOVXSKESA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H](c1cccs1)[NH+](C)C 43102756 572099127 /nfs/dbraw/zinc/09/91/27/572099127.db2.gz HFFTXNCTFXRPPW-WCBMZHEXSA-N 2 2 198.335 2.088 10 0 AEAELP CC[C@H](C)[N@H+](C)CC1([NH3+])CCCCC1 37110399 572099146 /nfs/dbraw/zinc/09/91/46/572099146.db2.gz MFQHQFSOKUZGRK-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@H](C)[N@@H+](C)CC1([NH3+])CCCCC1 37110399 572099149 /nfs/dbraw/zinc/09/91/49/572099149.db2.gz MFQHQFSOKUZGRK-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)C1CCCCC1 37116792 572099743 /nfs/dbraw/zinc/09/97/43/572099743.db2.gz GEYRMLXXZJDGEW-CMPLNLGQSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)C1CCCCC1 37116792 572099746 /nfs/dbraw/zinc/09/97/46/572099746.db2.gz GEYRMLXXZJDGEW-CMPLNLGQSA-N 2 2 198.354 2.377 10 0 AEAELP CC[NH2+]C[C@H](C)Cc1ccc(C)[nH+]c1 82763567 572100686 /nfs/dbraw/zinc/10/06/86/572100686.db2.gz MRWYLMYLSDVKBG-SNVBAGLBSA-N 2 2 192.306 2.178 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCCC1 37116789 572100883 /nfs/dbraw/zinc/10/08/83/572100883.db2.gz GEYRMLXXZJDGEW-PWSUYJOCSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1 37116789 572100884 /nfs/dbraw/zinc/10/08/84/572100884.db2.gz GEYRMLXXZJDGEW-PWSUYJOCSA-N 2 2 198.354 2.377 10 0 AEAELP CC[NH2+]C[C@@H](C)Cc1ccc(C)[nH+]c1 82763566 572101486 /nfs/dbraw/zinc/10/14/86/572101486.db2.gz MRWYLMYLSDVKBG-JTQLQIEISA-N 2 2 192.306 2.178 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCCC1 37116790 572101546 /nfs/dbraw/zinc/10/15/46/572101546.db2.gz GEYRMLXXZJDGEW-ZYHUDNBSSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1 37116790 572101549 /nfs/dbraw/zinc/10/15/49/572101549.db2.gz GEYRMLXXZJDGEW-ZYHUDNBSSA-N 2 2 198.354 2.377 10 0 AEAELP CCCCC[NH2+][C@@H](C)Cn1cc[nH+]c1 37156886 572101852 /nfs/dbraw/zinc/10/18/52/572101852.db2.gz QQDJNERYIFLSBO-NSHDSACASA-N 2 2 195.310 2.051 10 0 AEAELP CC[C@H](C)C[N@H+](CC)[C@H]1CCC[NH2+]C1 251925467 572102197 /nfs/dbraw/zinc/10/21/97/572102197.db2.gz QPOOKCDFZCIFFM-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 251925467 572102198 /nfs/dbraw/zinc/10/21/98/572102198.db2.gz QPOOKCDFZCIFFM-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[N@H+](CC)[C@H]1CCC[NH2+]C1 251925464 572102229 /nfs/dbraw/zinc/10/22/29/572102229.db2.gz QPOOKCDFZCIFFM-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 251925464 572102233 /nfs/dbraw/zinc/10/22/33/572102233.db2.gz QPOOKCDFZCIFFM-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CCCCC[NH2+][C@H](C)Cn1cc[nH+]c1 37156888 572102748 /nfs/dbraw/zinc/10/27/48/572102748.db2.gz QQDJNERYIFLSBO-LLVKDONJSA-N 2 2 195.310 2.051 10 0 AEAELP CC[C@H](C)C[N@H+](C)[C@@H](C)[C@H]([NH3+])CC 37172985 572103826 /nfs/dbraw/zinc/10/38/26/572103826.db2.gz RVAGRIXUGZQKME-GARJFASQSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]([NH3+])CC 37172985 572103829 /nfs/dbraw/zinc/10/38/29/572103829.db2.gz RVAGRIXUGZQKME-GARJFASQSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[C@H](C[NH2+]C)[N@@H+]1CCCC[C@H]1C 251126453 572107110 /nfs/dbraw/zinc/10/71/10/572107110.db2.gz IZVGIOCDDNDAHL-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](C[NH2+]C)[N@H+]1CCCC[C@H]1C 251126453 572107113 /nfs/dbraw/zinc/10/71/13/572107113.db2.gz IZVGIOCDDNDAHL-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](C[NH2+]C)[N@@H+]1CCCC[C@H]1C 251126449 572109630 /nfs/dbraw/zinc/10/96/30/572109630.db2.gz IZVGIOCDDNDAHL-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](C[NH2+]C)[N@H+]1CCCC[C@H]1C 251126449 572109632 /nfs/dbraw/zinc/10/96/32/572109632.db2.gz IZVGIOCDDNDAHL-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@]1(C[NH+]2CCC2)CCCC[NH2+]1 687784473 572112155 /nfs/dbraw/zinc/11/21/55/572112155.db2.gz GRCZUGXKMREQEW-GFCCVEGCSA-N 2 2 196.338 2.005 10 0 AEAELP CC[NH2+][C@@H](C)C[N@H+](C)C(C)(C)CC 69432483 572113175 /nfs/dbraw/zinc/11/31/75/572113175.db2.gz BNERPZRGMLETPE-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[NH2+][C@@H](C)C[N@@H+](C)C(C)(C)CC 69432483 572113177 /nfs/dbraw/zinc/11/31/77/572113177.db2.gz BNERPZRGMLETPE-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CCC[NH2+][C@@H](C)C[C@@H](C)n1cc[nH+]c1 82803559 572120066 /nfs/dbraw/zinc/12/00/66/572120066.db2.gz FOSJYMAHQZPLQR-WDEREUQCSA-N 2 2 195.310 2.222 10 0 AEAELP CCC[NH2+][C@H](C)C[C@H](C)n1cc[nH+]c1 82803562 572120311 /nfs/dbraw/zinc/12/03/11/572120311.db2.gz FOSJYMAHQZPLQR-MNOVXSKESA-N 2 2 195.310 2.222 10 0 AEAELP CCC[NH2+][C@@H](C)C[C@H](C)n1cc[nH+]c1 82803561 572121103 /nfs/dbraw/zinc/12/11/03/572121103.db2.gz FOSJYMAHQZPLQR-QWRGUYRKSA-N 2 2 195.310 2.222 10 0 AEAELP CCC[NH2+][C@H](C)C[C@@H](C)n1cc[nH+]c1 82803560 572121900 /nfs/dbraw/zinc/12/19/00/572121900.db2.gz FOSJYMAHQZPLQR-GHMZBOCLSA-N 2 2 195.310 2.222 10 0 AEAELP C[NH2+][C@H](C)C[C@@H](C)c1ccc(C)[nH+]c1 82809112 572123568 /nfs/dbraw/zinc/12/35/68/572123568.db2.gz LUNBAZWNBNQKST-MWLCHTKSSA-N 2 2 192.306 2.492 10 0 AEAELP C/C=C/C[N@H+]1CCCC[C@@H]1[C@H](C)[NH2+]C 300331545 572123591 /nfs/dbraw/zinc/12/35/91/572123591.db2.gz UPXNYIGZWWFBFB-RUULKOMLSA-N 2 2 196.338 2.025 10 0 AEAELP C/C=C/C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH2+]C 300331545 572123596 /nfs/dbraw/zinc/12/35/96/572123596.db2.gz UPXNYIGZWWFBFB-RUULKOMLSA-N 2 2 196.338 2.025 10 0 AEAELP C[NH2+][C@@H](C)C[C@@H](C)c1ccc(C)[nH+]c1 82809116 572123642 /nfs/dbraw/zinc/12/36/42/572123642.db2.gz LUNBAZWNBNQKST-KOLCDFICSA-N 2 2 192.306 2.492 10 0 AEAELP C[NH2+][C@@H](C)C[C@H](C)c1ccc(C)[nH+]c1 82809114 572124318 /nfs/dbraw/zinc/12/43/18/572124318.db2.gz LUNBAZWNBNQKST-ONGXEEELSA-N 2 2 192.306 2.492 10 0 AEAELP C[NH2+][C@H](C)C[C@H](C)c1ccc(C)[nH+]c1 82809110 572124457 /nfs/dbraw/zinc/12/44/57/572124457.db2.gz LUNBAZWNBNQKST-GXSJLCMTSA-N 2 2 192.306 2.492 10 0 AEAELP CCC[N@H+](C)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43292175 572125014 /nfs/dbraw/zinc/12/50/14/572125014.db2.gz KFGKAAXDLZEQSH-ZJUUUORDSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](C)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43292175 572125016 /nfs/dbraw/zinc/12/50/16/572125016.db2.gz KFGKAAXDLZEQSH-ZJUUUORDSA-N 2 2 186.343 2.090 10 0 AEAELP C[C@H]([NH3+])[C@H]([NH+]1CCCCC1)C(C)(C)C 43291449 572125638 /nfs/dbraw/zinc/12/56/38/572125638.db2.gz BHLDAPXMBWYAHV-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718305 572126281 /nfs/dbraw/zinc/12/62/81/572126281.db2.gz ILDMEMBJJAQSJR-CMPLNLGQSA-N 2 2 198.354 2.092 10 0 AEAELP CCC(CC)C[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718305 572126286 /nfs/dbraw/zinc/12/62/86/572126286.db2.gz ILDMEMBJJAQSJR-CMPLNLGQSA-N 2 2 198.354 2.092 10 0 AEAELP C[C@H]([NH3+])[C@@H]([NH+]1CCCCC1)C(C)(C)C 43291452 572126914 /nfs/dbraw/zinc/12/69/14/572126914.db2.gz BHLDAPXMBWYAHV-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718308 572127146 /nfs/dbraw/zinc/12/71/46/572127146.db2.gz ILDMEMBJJAQSJR-ZYHUDNBSSA-N 2 2 198.354 2.092 10 0 AEAELP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718308 572127149 /nfs/dbraw/zinc/12/71/49/572127149.db2.gz ILDMEMBJJAQSJR-ZYHUDNBSSA-N 2 2 198.354 2.092 10 0 AEAELP CC[C@@H](CC1CC1)[NH2+]Cc1c[nH+]c[nH]1 69672131 572130816 /nfs/dbraw/zinc/13/08/16/572130816.db2.gz KKVOZAOWUMXLPR-JTQLQIEISA-N 2 2 193.294 2.078 10 0 AEAELP CCC[C@H](CC)[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 300353581 572130858 /nfs/dbraw/zinc/13/08/58/572130858.db2.gz YBWPKTYHAKJJEN-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 300353581 572130860 /nfs/dbraw/zinc/13/08/60/572130860.db2.gz YBWPKTYHAKJJEN-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH+](CC)CC[NH2+][C@@H](C)CC1CC1 69665972 572130934 /nfs/dbraw/zinc/13/09/34/572130934.db2.gz WTJREOQXSNFOEU-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](CC)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 300353126 572131027 /nfs/dbraw/zinc/13/10/27/572131027.db2.gz UKSIFVUISRNLGK-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 300353126 572131028 /nfs/dbraw/zinc/13/10/28/572131028.db2.gz UKSIFVUISRNLGK-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](CC1CC1)[NH2+]Cc1c[nH+]c[nH]1 69672133 572131034 /nfs/dbraw/zinc/13/10/34/572131034.db2.gz KKVOZAOWUMXLPR-SNVBAGLBSA-N 2 2 193.294 2.078 10 0 AEAELP CCC[C@@H](CC)[N@H+](C)C[C@H]1CCC[NH2+]1 300352941 572131058 /nfs/dbraw/zinc/13/10/58/572131058.db2.gz RHYRDWAOLNVLEW-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@@H+](C)C[C@H]1CCC[NH2+]1 300352941 572131060 /nfs/dbraw/zinc/13/10/60/572131060.db2.gz RHYRDWAOLNVLEW-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 300353582 572131071 /nfs/dbraw/zinc/13/10/71/572131071.db2.gz YBWPKTYHAKJJEN-UTUOFQBUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 300353582 572131073 /nfs/dbraw/zinc/13/10/73/572131073.db2.gz YBWPKTYHAKJJEN-UTUOFQBUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 300353127 572131504 /nfs/dbraw/zinc/13/15/04/572131504.db2.gz UKSIFVUISRNLGK-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 300353127 572131507 /nfs/dbraw/zinc/13/15/07/572131507.db2.gz UKSIFVUISRNLGK-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 300353583 572131578 /nfs/dbraw/zinc/13/15/78/572131578.db2.gz YBWPKTYHAKJJEN-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 300353583 572131581 /nfs/dbraw/zinc/13/15/81/572131581.db2.gz YBWPKTYHAKJJEN-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](CC)[N@H+](C)C[C@H]1CCC[NH2+]1 300352940 572131712 /nfs/dbraw/zinc/13/17/12/572131712.db2.gz RHYRDWAOLNVLEW-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@@H+](C)C[C@H]1CCC[NH2+]1 300352940 572131716 /nfs/dbraw/zinc/13/17/16/572131716.db2.gz RHYRDWAOLNVLEW-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP C[C@@H]1CC([N@@H+](C)C[C@@H](C)[NH3+])C[C@H](C)C1 82833865 572131982 /nfs/dbraw/zinc/13/19/82/572131982.db2.gz NEXXKNXVBQJEHS-FBTJUVTCSA-N 2 2 198.354 2.090 10 0 AEAELP C[C@@H]1CC([N@H+](C)C[C@@H](C)[NH3+])C[C@H](C)C1 82833865 572131984 /nfs/dbraw/zinc/13/19/84/572131984.db2.gz NEXXKNXVBQJEHS-FBTJUVTCSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[C@H](CC)[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 300353128 572132451 /nfs/dbraw/zinc/13/24/51/572132451.db2.gz UKSIFVUISRNLGK-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH+](CC)CC[NH2+][C@@H](C)C1(C)CC1 37467858 572133281 /nfs/dbraw/zinc/13/32/81/572133281.db2.gz UPIOQUGUPAWHTI-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH+](CC)CC[NH2+][C@H](C)C1(C)CC1 37467860 572134467 /nfs/dbraw/zinc/13/44/67/572134467.db2.gz UPIOQUGUPAWHTI-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](CC)[N@H+](C)[C@H]1CCC[NH2+]C1 300352004 572135592 /nfs/dbraw/zinc/13/55/92/572135592.db2.gz GQSQLBXEORGUHV-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@@H+](C)[C@H]1CCC[NH2+]C1 300352004 572135595 /nfs/dbraw/zinc/13/55/95/572135595.db2.gz GQSQLBXEORGUHV-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@H+](CC)[C@H]1CC[NH2+]C1 300352122 572135636 /nfs/dbraw/zinc/13/56/36/572135636.db2.gz IDWKEDBIKIWRHF-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@@H+](CC)[C@H]1CC[NH2+]C1 300352122 572135640 /nfs/dbraw/zinc/13/56/40/572135640.db2.gz IDWKEDBIKIWRHF-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@H+](C)[C@H]1CCC[NH2+]C1 300352005 572136034 /nfs/dbraw/zinc/13/60/34/572136034.db2.gz GQSQLBXEORGUHV-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@@H+](C)[C@H]1CCC[NH2+]C1 300352005 572136037 /nfs/dbraw/zinc/13/60/37/572136037.db2.gz GQSQLBXEORGUHV-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@H+](CC)[C@H]1CC[NH2+]C1 300352123 572136556 /nfs/dbraw/zinc/13/65/56/572136556.db2.gz IDWKEDBIKIWRHF-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@@H+](CC)[C@H]1CC[NH2+]C1 300352123 572136558 /nfs/dbraw/zinc/13/65/58/572136558.db2.gz IDWKEDBIKIWRHF-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@H+](C)CC[NH2+]C(C)C 37477297 572144380 /nfs/dbraw/zinc/14/43/80/572144380.db2.gz MTRIBIVWVDMJCU-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CCCCC[N@@H+](C)CC[NH2+]C(C)C 37477297 572144382 /nfs/dbraw/zinc/14/43/82/572144382.db2.gz MTRIBIVWVDMJCU-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CCC[N@H+](CC[NH2+][C@@H](C)CC)C1CC1 37479943 572150135 /nfs/dbraw/zinc/15/01/35/572150135.db2.gz PHGSGVUQBBKQTO-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](CC[NH2+][C@@H](C)CC)C1CC1 37479943 572150137 /nfs/dbraw/zinc/15/01/37/572150137.db2.gz PHGSGVUQBBKQTO-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](C)[N@H+](C)CC1([NH3+])CCCC1 37479639 572150966 /nfs/dbraw/zinc/15/09/66/572150966.db2.gz CEYDDJKCJUQZKI-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H](C)[N@@H+](C)CC1([NH3+])CCCC1 37479639 572150969 /nfs/dbraw/zinc/15/09/69/572150969.db2.gz CEYDDJKCJUQZKI-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H](C)C[N@H+](C)CC1([NH3+])CCCC1 37479614 572151050 /nfs/dbraw/zinc/15/10/50/572151050.db2.gz ZJJBZGMYVJPKBJ-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@@H](C)C[N@@H+](C)CC1([NH3+])CCCC1 37479614 572151054 /nfs/dbraw/zinc/15/10/54/572151054.db2.gz ZJJBZGMYVJPKBJ-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CCC(CC)[N@H+](C)CC1([NH3+])CCCC1 37479637 572151168 /nfs/dbraw/zinc/15/11/68/572151168.db2.gz LOIAHPORNXZSTN-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)[N@@H+](C)CC1([NH3+])CCCC1 37479637 572151172 /nfs/dbraw/zinc/15/11/72/572151172.db2.gz LOIAHPORNXZSTN-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H](C)[N@H+](C)CC1([NH3+])CCCC1 37479638 572151227 /nfs/dbraw/zinc/15/12/27/572151227.db2.gz CEYDDJKCJUQZKI-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H](C)[N@@H+](C)CC1([NH3+])CCCC1 37479638 572151229 /nfs/dbraw/zinc/15/12/29/572151229.db2.gz CEYDDJKCJUQZKI-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[N@H+](CC(C)C)CC1([NH3+])CCCC1 37479610 572151502 /nfs/dbraw/zinc/15/15/02/572151502.db2.gz DCTBIGNLSLQGHO-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[N@@H+](CC(C)C)CC1([NH3+])CCCC1 37479610 572151504 /nfs/dbraw/zinc/15/15/04/572151504.db2.gz DCTBIGNLSLQGHO-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@H](C)C[N@H+](C)CC1([NH3+])CCCC1 37479615 572151652 /nfs/dbraw/zinc/15/16/52/572151652.db2.gz ZJJBZGMYVJPKBJ-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@H](C)C[N@@H+](C)CC1([NH3+])CCCC1 37479615 572151654 /nfs/dbraw/zinc/15/16/54/572151654.db2.gz ZJJBZGMYVJPKBJ-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CCC[N@H+](CC1([NH3+])CCCC1)C(C)C 37479604 572151967 /nfs/dbraw/zinc/15/19/67/572151967.db2.gz XJHLBOSEXZCLRN-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@@H+](CC1([NH3+])CCCC1)C(C)C 37479604 572151969 /nfs/dbraw/zinc/15/19/69/572151969.db2.gz XJHLBOSEXZCLRN-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CC(C)[C@@H](C)[N@H+](C)CC1([NH3+])CCCC1 37479635 572152012 /nfs/dbraw/zinc/15/20/12/572152012.db2.gz YODMQTBLXBFDDU-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@@H](C)[N@@H+](C)CC1([NH3+])CCCC1 37479635 572152015 /nfs/dbraw/zinc/15/20/15/572152015.db2.gz YODMQTBLXBFDDU-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[NH2+]CCc1[nH]cc(C(C)C)[nH+]1 37480350 572152198 /nfs/dbraw/zinc/15/21/98/572152198.db2.gz VDFZAJMTCPFRQS-UHFFFAOYSA-N 2 2 195.310 2.074 10 0 AEAELP CCCC[N@H+](CC)C[C@](C)([NH3+])C1CC1 37479160 572154152 /nfs/dbraw/zinc/15/41/52/572154152.db2.gz NVBZUSWSQAZACZ-LBPRGKRZSA-N 2 2 198.354 2.236 10 0 AEAELP CCCC[N@@H+](CC)CC1([NH3+])CCCC1 37479576 572152625 /nfs/dbraw/zinc/15/26/25/572152625.db2.gz YTNPLVNUDWALPI-UHFFFAOYSA-N 2 2 198.354 2.380 10 0 AEAELP CCCC[N@H+](CC)CC1([NH3+])CCCC1 37479576 572152622 /nfs/dbraw/zinc/15/26/22/572152622.db2.gz YTNPLVNUDWALPI-UHFFFAOYSA-N 2 2 198.354 2.380 10 0 AEAELP CCCCC[N@H+](C)CC[NH2+]CC1CC1 37478579 572152725 /nfs/dbraw/zinc/15/27/25/572152725.db2.gz OFKANGHMGFACLP-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP CCC[N@H+](CC)C[C@](C)([NH3+])CCC 37480942 572154122 /nfs/dbraw/zinc/15/41/22/572154122.db2.gz JVAHSFVSBCGIPD-LLVKDONJSA-N 2 2 186.343 2.236 10 0 AEAELP CCCCC[N@@H+](C)CC[NH2+]CC1CC1 37478579 572152731 /nfs/dbraw/zinc/15/27/31/572152731.db2.gz OFKANGHMGFACLP-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP CC[C@H](C)[N@H+](CC)CC1([NH3+])CCCC1 37479612 572152793 /nfs/dbraw/zinc/15/27/93/572152793.db2.gz XOTOCILLSXRJAU-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@H](C)[N@@H+](CC)CC1([NH3+])CCCC1 37479612 572152797 /nfs/dbraw/zinc/15/27/97/572152797.db2.gz XOTOCILLSXRJAU-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@@H+](CC)C[C@](C)([NH3+])CCC 37480942 572154125 /nfs/dbraw/zinc/15/41/25/572154125.db2.gz JVAHSFVSBCGIPD-LLVKDONJSA-N 2 2 186.343 2.236 10 0 AEAELP CC[C@@H](C)[N@H+](CC)CC1([NH3+])CCCC1 37479611 572153143 /nfs/dbraw/zinc/15/31/43/572153143.db2.gz XOTOCILLSXRJAU-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H](C)[N@@H+](CC)CC1([NH3+])CCCC1 37479611 572153146 /nfs/dbraw/zinc/15/31/46/572153146.db2.gz XOTOCILLSXRJAU-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](C)[NH3+])CC[C@H]1C 82844827 572153196 /nfs/dbraw/zinc/15/31/96/572153196.db2.gz OLTVSJFALDLLKM-WRWGMCAJSA-N 2 2 198.354 2.090 10 0 AEAELP C[C@H]1C[C@H]([N@H+](C)C[C@@H](C)[NH3+])CC[C@H]1C 82844827 572153198 /nfs/dbraw/zinc/15/31/98/572153198.db2.gz OLTVSJFALDLLKM-WRWGMCAJSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@H](C)[N@H+](C)CC1([NH3+])CCCC1 37479636 572153290 /nfs/dbraw/zinc/15/32/90/572153290.db2.gz YODMQTBLXBFDDU-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@H](C)[N@@H+](C)CC1([NH3+])CCCC1 37479636 572153292 /nfs/dbraw/zinc/15/32/92/572153292.db2.gz YODMQTBLXBFDDU-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC[NH2+][C@H](C)CC)C1CC1 37479944 572153297 /nfs/dbraw/zinc/15/32/97/572153297.db2.gz PHGSGVUQBBKQTO-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](CC[NH2+][C@H](C)CC)C1CC1 37479944 572153299 /nfs/dbraw/zinc/15/32/99/572153299.db2.gz PHGSGVUQBBKQTO-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@@H+](CC)C[C@](C)([NH3+])C1CC1 37479160 572154156 /nfs/dbraw/zinc/15/41/56/572154156.db2.gz NVBZUSWSQAZACZ-LBPRGKRZSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@@H](C)[N@H+](CC)C[C@](C)([NH3+])C1CC1 37479224 572153748 /nfs/dbraw/zinc/15/37/48/572153748.db2.gz HWENETFIUBXIBQ-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H](C)[N@@H+](CC)C[C@](C)([NH3+])C1CC1 37479224 572153749 /nfs/dbraw/zinc/15/37/49/572153749.db2.gz HWENETFIUBXIBQ-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@](C)([NH3+])C[N@H+](C)CC(C)C 37480958 572153784 /nfs/dbraw/zinc/15/37/84/572153784.db2.gz 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AEAELP CCC[C@H](CC)[N@@H+]1CCC[NH2+][C@H](C)C1 83092996 572194840 /nfs/dbraw/zinc/19/48/40/572194840.db2.gz FCDLMKBIWGTGQY-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@H+]1CCC[NH2+][C@H](C)C1 83092996 572194842 /nfs/dbraw/zinc/19/48/42/572194842.db2.gz FCDLMKBIWGTGQY-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)CCC[N@@H+]1CCC[NH2+][C@@H](C)C1 83093224 572195694 /nfs/dbraw/zinc/19/56/94/572195694.db2.gz LKBNNDNIWVRBJD-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CCC[N@H+]1CCC[NH2+][C@@H](C)C1 83093224 572195696 /nfs/dbraw/zinc/19/56/96/572195696.db2.gz LKBNNDNIWVRBJD-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[N@@H+]1CCC[NH2+][C@H](CC)C1 83091594 572195811 /nfs/dbraw/zinc/19/58/11/572195811.db2.gz MKBGCHCZWBVBHP-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@H+]1CCC[NH2+][C@H](CC)C1 83091594 572195812 /nfs/dbraw/zinc/19/58/12/572195812.db2.gz MKBGCHCZWBVBHP-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 83093027 572195893 /nfs/dbraw/zinc/19/58/93/572195893.db2.gz PGGCXFKFNZWXNJ-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[C@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 83093027 572195895 /nfs/dbraw/zinc/19/58/95/572195895.db2.gz PGGCXFKFNZWXNJ-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@@H+]1CCC[NH2+][C@H](C)C1 83092995 572196213 /nfs/dbraw/zinc/19/62/13/572196213.db2.gz FCDLMKBIWGTGQY-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@H+]1CCC[NH2+][C@H](C)C1 83092995 572196221 /nfs/dbraw/zinc/19/62/21/572196221.db2.gz FCDLMKBIWGTGQY-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@@H+]1[C@@H](C)CC[NH2+]C[C@H]1C 249912216 572196832 /nfs/dbraw/zinc/19/68/32/572196832.db2.gz YZMOLASJBMXODW-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@H+]1[C@@H](C)CC[NH2+]C[C@H]1C 249912216 572196834 /nfs/dbraw/zinc/19/68/34/572196834.db2.gz YZMOLASJBMXODW-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[N@@H+]1[C@H](C)CC[NH2+]C[C@H]1C 249912220 572198210 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2.378 10 0 AEAELP CCC(CC)(CC)[N@@H+]1CC[C@@H]([NH2+]C)C1 83388179 572206919 /nfs/dbraw/zinc/20/69/19/572206919.db2.gz KKPPWBUONYDDMU-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)(CC)[N@H+]1CC[C@@H]([NH2+]C)C1 83388179 572206923 /nfs/dbraw/zinc/20/69/23/572206923.db2.gz KKPPWBUONYDDMU-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)(CC)[N@@H+]1CCC[C@H]([NH3+])C1 83388419 572207079 /nfs/dbraw/zinc/20/70/79/572207079.db2.gz ZSUUZBJXTWCCOT-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)(CC)[N@H+]1CCC[C@H]([NH3+])C1 83388419 572207081 /nfs/dbraw/zinc/20/70/81/572207081.db2.gz ZSUUZBJXTWCCOT-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)(CC)[N@@H+]1CCC[NH2+]CC1 83388333 572207868 /nfs/dbraw/zinc/20/78/68/572207868.db2.gz AEKPXUCKZVTBRL-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCC(CC)(CC)[N@H+]1CCC[NH2+]CC1 83388333 572207869 /nfs/dbraw/zinc/20/78/69/572207869.db2.gz AEKPXUCKZVTBRL-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCC(CC)(CC)[N@@H+]1CCC[C@@H]([NH3+])C1 83388420 572208809 /nfs/dbraw/zinc/20/88/09/572208809.db2.gz ZSUUZBJXTWCCOT-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)(CC)[N@H+]1CCC[C@@H]([NH3+])C1 83388420 572208812 /nfs/dbraw/zinc/20/88/12/572208812.db2.gz ZSUUZBJXTWCCOT-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H]([NH3+])[C@H](CC)[N@@H+]1CC[C@H](C)C1 40718077 572210270 /nfs/dbraw/zinc/21/02/70/572210270.db2.gz UOUXQIZUDJXADO-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H]([NH3+])[C@H](CC)[N@H+]1CC[C@H](C)C1 40718077 572210272 /nfs/dbraw/zinc/21/02/72/572210272.db2.gz UOUXQIZUDJXADO-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CC[C@H](C)C1 40717225 572211676 /nfs/dbraw/zinc/21/16/76/572211676.db2.gz NUSWYEDXFGDXRX-RYUDHWBXSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CC[C@H](C)C1 40717225 572211679 /nfs/dbraw/zinc/21/16/79/572211679.db2.gz NUSWYEDXFGDXRX-RYUDHWBXSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H]([NH3+])[C@@H](CC)[N@@H+]1CC[C@H](C)C1 40718073 572212897 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CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CCC[C@H](C)C1 43811910 572242053 /nfs/dbraw/zinc/24/20/53/572242053.db2.gz FGNZWXBDICGUDR-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+]1CCC[C@H](C)C1 43811699 572241117 /nfs/dbraw/zinc/24/11/17/572241117.db2.gz XWRMMOQFSOTOQE-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+]1CCC[C@H](C)C1 43811699 572241118 /nfs/dbraw/zinc/24/11/18/572241118.db2.gz XWRMMOQFSOTOQE-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@]1(C)[C@H]([NH2+]C)CC[N@@H+]1CC(C)C 712022497 572241133 /nfs/dbraw/zinc/24/11/33/572241133.db2.gz NWNDVOHNAOLRNS-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@]1(C)[C@H]([NH2+]C)CC[N@H+]1CC(C)C 712022497 572241134 /nfs/dbraw/zinc/24/11/34/572241134.db2.gz NWNDVOHNAOLRNS-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@]1(C)[C@H]([NH2+]C)CC[N@@H+]1CC(C)C 712022459 572241148 /nfs/dbraw/zinc/24/11/48/572241148.db2.gz NWNDVOHNAOLRNS-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@]1(C)[C@H]([NH2+]C)CC[N@H+]1CC(C)C 712022459 572241150 /nfs/dbraw/zinc/24/11/50/572241150.db2.gz NWNDVOHNAOLRNS-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)C[N@H+](C)[C@@H]1CCCC[C@H]1C 43976407 572241636 /nfs/dbraw/zinc/24/16/36/572241636.db2.gz FQMUUGAPUXGUQJ-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@H]1C 43976407 572241637 /nfs/dbraw/zinc/24/16/37/572241637.db2.gz FQMUUGAPUXGUQJ-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+]1CC[C@H]([NH2+]C)C1(CC)CC 712015860 572241672 /nfs/dbraw/zinc/24/16/72/572241672.db2.gz FZAUCDVVFQRSJR-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+]1CC[C@H]([NH2+]C)C1(CC)CC 712015860 572241673 /nfs/dbraw/zinc/24/16/73/572241673.db2.gz FZAUCDVVFQRSJR-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC[C@H](C)C1 43811912 572241737 /nfs/dbraw/zinc/24/17/37/572241737.db2.gz FGNZWXBDICGUDR-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CCC[C@H](C)C1 43811912 572241738 /nfs/dbraw/zinc/24/17/38/572241738.db2.gz FGNZWXBDICGUDR-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)C[N@H+](C)[C@H]1CCCC[C@@H]1C 43976402 572241814 /nfs/dbraw/zinc/24/18/14/572241814.db2.gz FQMUUGAPUXGUQJ-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)C[N@@H+](C)[C@H]1CCCC[C@@H]1C 43976402 572241816 /nfs/dbraw/zinc/24/18/16/572241816.db2.gz FQMUUGAPUXGUQJ-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@]1(C)[C@@H]([NH3+])CC[N@@H+]1C(C)C 712027156 572242867 /nfs/dbraw/zinc/24/28/67/572242867.db2.gz DEONLWNKWBVKMN-NWDGAFQWSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@]1(C)[C@@H]([NH3+])CC[N@H+]1C(C)C 712027156 572242870 /nfs/dbraw/zinc/24/28/70/572242870.db2.gz DEONLWNKWBVKMN-NWDGAFQWSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@@]1(C)[C@H]([NH3+])CC[N@@H+]1C(C)C 712027151 572242927 /nfs/dbraw/zinc/24/29/27/572242927.db2.gz DEONLWNKWBVKMN-NEPJUHHUSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@@]1(C)[C@H]([NH3+])CC[N@H+]1C(C)C 712027151 572242928 /nfs/dbraw/zinc/24/29/28/572242928.db2.gz DEONLWNKWBVKMN-NEPJUHHUSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@]1(C)[C@H]([NH3+])CC[N@@H+]1C(C)C 712027161 572243033 /nfs/dbraw/zinc/24/30/33/572243033.db2.gz DEONLWNKWBVKMN-VXGBXAGGSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@]1(C)[C@H]([NH3+])CC[N@H+]1C(C)C 712027161 572243035 /nfs/dbraw/zinc/24/30/35/572243035.db2.gz DEONLWNKWBVKMN-VXGBXAGGSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@@]1(C)[C@@H]([NH3+])CC[N@@H+]1C(C)C 712027159 572243066 /nfs/dbraw/zinc/24/30/66/572243066.db2.gz DEONLWNKWBVKMN-RYUDHWBXSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@@]1(C)[C@@H]([NH3+])CC[N@H+]1C(C)C 712027159 572243068 /nfs/dbraw/zinc/24/30/68/572243068.db2.gz DEONLWNKWBVKMN-RYUDHWBXSA-N 2 2 198.354 2.233 10 0 AEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](C)CC1CC1 37925379 572243706 /nfs/dbraw/zinc/24/37/06/572243706.db2.gz MIVBTKQQEIBNQR-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](C)CC1CC1 37925379 572243708 /nfs/dbraw/zinc/24/37/08/572243708.db2.gz MIVBTKQQEIBNQR-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C[N@@H+]1CCCC[C@H]1CC)[NH2+]C 50179189 572251955 /nfs/dbraw/zinc/25/19/55/572251955.db2.gz BXTQWBLSBSDPCR-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C[N@H+]1CCCC[C@H]1CC)[NH2+]C 50179189 572251957 /nfs/dbraw/zinc/25/19/57/572251957.db2.gz BXTQWBLSBSDPCR-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C[N@@H+](CC)[C@H](C)CC)[NH2+]C 50179243 572252232 /nfs/dbraw/zinc/25/22/32/572252232.db2.gz LHAFUPIEVFKVGJ-GHMZBOCLSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H](C[N@H+](CC)[C@H](C)CC)[NH2+]C 50179243 572252230 /nfs/dbraw/zinc/25/22/30/572252230.db2.gz LHAFUPIEVFKVGJ-GHMZBOCLSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[C@@H](CC)[N@@H+]1CC[NH2+]C[C@H](C)C1 50407921 572252460 /nfs/dbraw/zinc/25/24/60/572252460.db2.gz IDNDFRNOGAXYNI-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](CC)[N@H+]1CC[NH2+]C[C@H](C)C1 50407921 572252463 /nfs/dbraw/zinc/25/24/63/572252463.db2.gz IDNDFRNOGAXYNI-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]1CCC[N@@H+](C[C@@H](CC)[NH2+]C)C1 50179334 572252510 /nfs/dbraw/zinc/25/25/10/572252510.db2.gz AUYGOTCMWSQPSR-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]1CCC[N@H+](C[C@@H](CC)[NH2+]C)C1 50179334 572252512 /nfs/dbraw/zinc/25/25/12/572252512.db2.gz AUYGOTCMWSQPSR-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](CC)[N@@H+]1CC[NH2+]C[C@H](C)C1 50407923 572252708 /nfs/dbraw/zinc/25/27/08/572252708.db2.gz IDNDFRNOGAXYNI-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](CC)[N@H+]1CC[NH2+]C[C@H](C)C1 50407923 572252709 /nfs/dbraw/zinc/25/27/09/572252709.db2.gz IDNDFRNOGAXYNI-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP Cc1[nH+]cc(C[NH3+])n1CCC(C)(C)C 83534534 572328320 /nfs/dbraw/zinc/32/83/20/572328320.db2.gz AXEDGUUJFARPJT-UHFFFAOYSA-N 2 2 195.310 2.086 10 0 AEAELP CC[N@H+](C)CC[NH2+][C@H]1CCCC1(C)C 86857332 572328532 /nfs/dbraw/zinc/32/85/32/572328532.db2.gz RVCYHWXJYJBIBP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+](C)CC[NH2+][C@H]1CCCC1(C)C 86857332 572328535 /nfs/dbraw/zinc/32/85/35/572328535.db2.gz RVCYHWXJYJBIBP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC1(C)C 86857331 572328783 /nfs/dbraw/zinc/32/87/83/572328783.db2.gz RVCYHWXJYJBIBP-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@H+](C)CC[NH2+][C@@H]1CCCC1(C)C 86857331 572328777 /nfs/dbraw/zinc/32/87/77/572328777.db2.gz RVCYHWXJYJBIBP-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCn1c(C[NH2+]C(C)(C)C)c[nH+]c1C 83534712 572328952 /nfs/dbraw/zinc/32/89/52/572328952.db2.gz DEHKDQNTBHHUNS-UHFFFAOYSA-N 2 2 195.310 2.100 10 0 AEAELP CCC[C@H](C)Cn1c(C[NH3+])c[nH+]c1C 83534561 572329092 /nfs/dbraw/zinc/32/90/92/572329092.db2.gz HBOUOLUBTUJSSC-VIFPVBQESA-N 2 2 195.310 2.086 10 0 AEAELP CCCCn1c(C[NH2+]CC)c[nH+]c1C 83534636 572329567 /nfs/dbraw/zinc/32/95/67/572329567.db2.gz JSSUWUWJKQTSKN-UHFFFAOYSA-N 2 2 195.310 2.101 10 0 AEAELP CCC[C@@H](C)Cn1c(C[NH3+])c[nH+]c1C 83534560 572329378 /nfs/dbraw/zinc/32/93/78/572329378.db2.gz HBOUOLUBTUJSSC-SECBINFHSA-N 2 2 195.310 2.086 10 0 AEAELP C=C/C=C/CC[C@H](C[NH+](C)C)[NH2+]CC 713675933 572330245 /nfs/dbraw/zinc/33/02/45/572330245.db2.gz BSNGXUMMFQWLNH-ABZNLYFFSA-N 2 2 196.338 2.049 10 0 AEAELP CCCCCn1c(C[NH2+]C)c[nH+]c1C 83534583 572330272 /nfs/dbraw/zinc/33/02/72/572330272.db2.gz QPKKLAPSFPLGEG-UHFFFAOYSA-N 2 2 195.310 2.101 10 0 AEAELP CCCCCCn1c(C[NH3+])c[nH+]c1C 83534558 572330546 /nfs/dbraw/zinc/33/05/46/572330546.db2.gz UPXUIYFXHOBAPP-UHFFFAOYSA-N 2 2 195.310 2.231 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c(C)n1CCC 83534656 572330821 /nfs/dbraw/zinc/33/08/21/572330821.db2.gz CFBFVSBSNVVCRR-UHFFFAOYSA-N 2 2 195.310 2.101 10 0 AEAELP CCCn1c(C[NH2+]C(C)C)c[nH+]c1C 83534674 572330857 /nfs/dbraw/zinc/33/08/57/572330857.db2.gz OOCPMHYSGPLNJC-UHFFFAOYSA-N 2 2 195.310 2.100 10 0 AEAELP C=C/C=C\CC[C@@H](C[NH+](C)C)[NH2+]CC 713675935 572330892 /nfs/dbraw/zinc/33/08/92/572330892.db2.gz BSNGXUMMFQWLNH-KRZKBDHCSA-N 2 2 196.338 2.049 10 0 AEAELP C=C/C=C/CC[C@@H](C[NH+](C)C)[NH2+]CC 713675934 572331660 /nfs/dbraw/zinc/33/16/60/572331660.db2.gz BSNGXUMMFQWLNH-GUOLPTJISA-N 2 2 196.338 2.049 10 0 AEAELP C=C/C=C\CC[C@H](C[NH+](C)C)[NH2+]CC 713675936 572331806 /nfs/dbraw/zinc/33/18/06/572331806.db2.gz BSNGXUMMFQWLNH-QDZRJHCZSA-N 2 2 196.338 2.049 10 0 AEAELP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 222676746 572336827 /nfs/dbraw/zinc/33/68/27/572336827.db2.gz XGXBEYKLQUQINJ-DDHJBXDOSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 222676746 572336832 /nfs/dbraw/zinc/33/68/32/572336832.db2.gz XGXBEYKLQUQINJ-DDHJBXDOSA-N 2 2 198.354 2.103 10 0 AEAELP CC[C@@H](C[NH2+]C)[NH+]1CCCCCCC1 52424867 572345423 /nfs/dbraw/zinc/34/54/23/572345423.db2.gz KBGRGZPJTDGBKL-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CCCC[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610277 572348052 /nfs/dbraw/zinc/34/80/52/572348052.db2.gz IQPLTGOOJVRMQO-SNVBAGLBSA-N 2 2 195.310 2.121 10 0 AEAELP CCCC[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610277 572348056 /nfs/dbraw/zinc/34/80/56/572348056.db2.gz IQPLTGOOJVRMQO-SNVBAGLBSA-N 2 2 195.310 2.121 10 0 AEAELP CC[C@@H](C[NH3+])c1[nH]cc(C(C)(C)C)[nH+]1 83609898 572348396 /nfs/dbraw/zinc/34/83/96/572348396.db2.gz SSFZRUYMYVMFOD-QMMMGPOBSA-N 2 2 195.310 2.160 10 0 AEAELP CC[C@H](C[NH3+])c1[nH]cc(C(C)(C)C)[nH+]1 83609900 572349815 /nfs/dbraw/zinc/34/98/15/572349815.db2.gz SSFZRUYMYVMFOD-MRVPVSSYSA-N 2 2 195.310 2.160 10 0 AEAELP CCCC[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610279 572351067 /nfs/dbraw/zinc/35/10/67/572351067.db2.gz IQPLTGOOJVRMQO-JTQLQIEISA-N 2 2 195.310 2.121 10 0 AEAELP CCCC[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610279 572351072 /nfs/dbraw/zinc/35/10/72/572351072.db2.gz IQPLTGOOJVRMQO-JTQLQIEISA-N 2 2 195.310 2.121 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H](CC)C[NH2+]C 52477971 572354623 /nfs/dbraw/zinc/35/46/23/572354623.db2.gz QEQJUNXIRJOVMX-NSHDSACASA-N 2 2 186.343 2.105 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H](CC)C[NH2+]C 52477971 572354628 /nfs/dbraw/zinc/35/46/28/572354628.db2.gz QEQJUNXIRJOVMX-NSHDSACASA-N 2 2 186.343 2.105 10 0 AEAELP CCC(CC)C[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039493 572355489 /nfs/dbraw/zinc/35/54/89/572355489.db2.gz CUEPTXLKLXNZHP-JQWIXIFHSA-N 2 2 198.354 2.092 10 0 AEAELP CCC(CC)C[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039493 572355493 /nfs/dbraw/zinc/35/54/93/572355493.db2.gz CUEPTXLKLXNZHP-JQWIXIFHSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H](C)C[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039374 572356766 /nfs/dbraw/zinc/35/67/66/572356766.db2.gz XTTIQUITUNRQLX-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039374 572356769 /nfs/dbraw/zinc/35/67/69/572356769.db2.gz XTTIQUITUNRQLX-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CCC(CC)C[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039491 572357062 /nfs/dbraw/zinc/35/70/62/572357062.db2.gz CUEPTXLKLXNZHP-PWSUYJOCSA-N 2 2 198.354 2.092 10 0 AEAELP CCC(CC)C[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039491 572357065 /nfs/dbraw/zinc/35/70/65/572357065.db2.gz CUEPTXLKLXNZHP-PWSUYJOCSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[N@@H+](CC[NH2+]C)C(CC)CC 87157701 572380084 /nfs/dbraw/zinc/38/00/84/572380084.db2.gz FXLOZEBJEAKWFK-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CCC[N@H+](CC[NH2+]C)C(CC)CC 87157701 572380078 /nfs/dbraw/zinc/38/00/78/572380078.db2.gz FXLOZEBJEAKWFK-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1C(CC)CC 87157704 572380369 /nfs/dbraw/zinc/38/03/69/572380369.db2.gz NXWLLNUKVXLCSF-LBPRGKRZSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+]C[C@@H]1CCC[N@H+]1C(CC)CC 87157704 572380372 /nfs/dbraw/zinc/38/03/72/572380372.db2.gz NXWLLNUKVXLCSF-LBPRGKRZSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+]C[C@H]1CCC[N@@H+]1C(CC)CC 87157702 572382324 /nfs/dbraw/zinc/38/23/24/572382324.db2.gz NXWLLNUKVXLCSF-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+]C[C@H]1CCC[N@H+]1C(CC)CC 87157702 572382327 /nfs/dbraw/zinc/38/23/27/572382327.db2.gz NXWLLNUKVXLCSF-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CCC1(CC)C[NH2+]C[C@H](CC(C)C)[NH2+]1 238226320 572389897 /nfs/dbraw/zinc/38/98/97/572389897.db2.gz RRXBBCDBWAZQAP-NSHDSACASA-N 2 2 198.354 2.153 10 0 AEAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 83760589 572394449 /nfs/dbraw/zinc/39/44/49/572394449.db2.gz GUNSSNPPTYGNET-ZYHUDNBSSA-N 2 2 192.306 2.075 10 0 AEAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 83760591 572393974 /nfs/dbraw/zinc/39/39/74/572393974.db2.gz GUNSSNPPTYGNET-CMPLNLGQSA-N 2 2 192.306 2.075 10 0 AEAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccccc1 83760588 572394226 /nfs/dbraw/zinc/39/42/26/572394226.db2.gz GUNSSNPPTYGNET-JQWIXIFHSA-N 2 2 192.306 2.075 10 0 AEAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1cccs1 83760268 572394547 /nfs/dbraw/zinc/39/45/47/572394547.db2.gz DMDMVPBSFZNTPI-DTWKUNHWSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1cccs1 83760261 572394985 /nfs/dbraw/zinc/39/49/85/572394985.db2.gz DMDMVPBSFZNTPI-BDAKNGLRSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1cccs1 83760265 572395684 /nfs/dbraw/zinc/39/56/84/572395684.db2.gz DMDMVPBSFZNTPI-RKDXNWHRSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccccc1 83760586 572396570 /nfs/dbraw/zinc/39/65/70/572396570.db2.gz GUNSSNPPTYGNET-PWSUYJOCSA-N 2 2 192.306 2.075 10 0 AEAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1cccs1 83760263 572397002 /nfs/dbraw/zinc/39/70/02/572397002.db2.gz DMDMVPBSFZNTPI-IUCAKERBSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccsc1 83761300 572398918 /nfs/dbraw/zinc/39/89/18/572398918.db2.gz UMNRDMUKWXBOJU-WPRPVWTQSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1ccsc1 83761304 572399033 /nfs/dbraw/zinc/39/90/33/572399033.db2.gz UMNRDMUKWXBOJU-WCBMZHEXSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccsc1 83761302 572402967 /nfs/dbraw/zinc/40/29/67/572402967.db2.gz UMNRDMUKWXBOJU-PSASIEDQSA-N 2 2 198.335 2.136 10 0 AEAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccsc1 83761298 572403556 /nfs/dbraw/zinc/40/35/56/572403556.db2.gz UMNRDMUKWXBOJU-SCZZXKLOSA-N 2 2 198.335 2.136 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1CCC(C)(C)C1 87255113 572408678 /nfs/dbraw/zinc/40/86/78/572408678.db2.gz CRTOTTFLJQHRBJ-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252102 572407752 /nfs/dbraw/zinc/40/77/52/572407752.db2.gz DCFIHHQSHUQPES-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252102 572407755 /nfs/dbraw/zinc/40/77/55/572407755.db2.gz DCFIHHQSHUQPES-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+]1CCC(CC)(CC)C1 87252437 572407814 /nfs/dbraw/zinc/40/78/14/572407814.db2.gz XFBQIJDDQXQALM-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+]1CCC(CC)(CC)C1 87252437 572407818 /nfs/dbraw/zinc/40/78/18/572407818.db2.gz XFBQIJDDQXQALM-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1CCC(C)(C)C1 87255113 572408675 /nfs/dbraw/zinc/40/86/75/572408675.db2.gz CRTOTTFLJQHRBJ-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CCCC[N@H+](CC[NH2+]CCC)C1CC1 44384135 572408721 /nfs/dbraw/zinc/40/87/21/572408721.db2.gz FMJSVESWCRGDNY-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCCC[N@@H+](CC[NH2+]CCC)C1CC1 44384135 572408726 /nfs/dbraw/zinc/40/87/26/572408726.db2.gz FMJSVESWCRGDNY-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCC1(CC)CC[N@@H+]([C@H](C)[C@@H](C)[NH3+])C1 87252494 572409017 /nfs/dbraw/zinc/40/90/17/572409017.db2.gz YGOOEEDVQYSXSG-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP CCC1(CC)CC[N@H+]([C@H](C)[C@@H](C)[NH3+])C1 87252494 572409021 /nfs/dbraw/zinc/40/90/21/572409021.db2.gz YGOOEEDVQYSXSG-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252103 572411216 /nfs/dbraw/zinc/41/12/16/572411216.db2.gz DCFIHHQSHUQPES-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+]1CCC(CC)(CC)C1 87252435 572410041 /nfs/dbraw/zinc/41/00/41/572410041.db2.gz XFBQIJDDQXQALM-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@H]([NH3+])C[N@H+]1CCC(CC)(CC)C1 87252435 572410044 /nfs/dbraw/zinc/41/00/44/572410044.db2.gz XFBQIJDDQXQALM-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87252105 572410261 /nfs/dbraw/zinc/41/02/61/572410261.db2.gz DCFIHHQSHUQPES-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+]1CCC(C)(C)C1 87252105 572410263 /nfs/dbraw/zinc/41/02/63/572410263.db2.gz DCFIHHQSHUQPES-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252103 572411201 /nfs/dbraw/zinc/41/12/01/572411201.db2.gz DCFIHHQSHUQPES-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87252107 572411495 /nfs/dbraw/zinc/41/14/95/572411495.db2.gz DCFIHHQSHUQPES-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+]1CCC(C)(C)C1 87252107 572411498 /nfs/dbraw/zinc/41/14/98/572411498.db2.gz DCFIHHQSHUQPES-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC1(CC)CC[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C1 87252492 572411646 /nfs/dbraw/zinc/41/16/46/572411646.db2.gz YGOOEEDVQYSXSG-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC1(CC)CC[N@H+]([C@@H](C)[C@@H](C)[NH3+])C1 87252492 572411650 /nfs/dbraw/zinc/41/16/50/572411650.db2.gz YGOOEEDVQYSXSG-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c([C@@H]2C[C@H]2C)[nH]1 83810698 572414462 /nfs/dbraw/zinc/41/44/62/572414462.db2.gz PASUOWOXJCISKV-PSASIEDQSA-N 2 2 193.294 2.033 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c([C@@H]2C[C@@H]2C)[nH]1 83810696 572414812 /nfs/dbraw/zinc/41/48/12/572414812.db2.gz PASUOWOXJCISKV-WCBMZHEXSA-N 2 2 193.294 2.033 10 0 AEAELP CC(C)[NH2+]Cc1c[nH+]c([C@H]2C[C@@H]2C)[nH]1 83810701 572415128 /nfs/dbraw/zinc/41/51/28/572415128.db2.gz QNRRGLPLZHNNPN-WPRPVWTQSA-N 2 2 193.294 2.031 10 0 AEAELP CC(C)[NH2+]Cc1c[nH+]c([C@@H]2C[C@H]2C)[nH]1 83810702 572415928 /nfs/dbraw/zinc/41/59/28/572415928.db2.gz QNRRGLPLZHNNPN-PSASIEDQSA-N 2 2 193.294 2.031 10 0 AEAELP CCC[NH2+]Cc1c[nH+]c([C@H]2C[C@H]2C)[nH]1 83810699 572415950 /nfs/dbraw/zinc/41/59/50/572415950.db2.gz PASUOWOXJCISKV-SCZZXKLOSA-N 2 2 193.294 2.033 10 0 AEAELP CCCC[C@H](CC)C[N@H+]1CCC[NH2+]C1 238797433 572420729 /nfs/dbraw/zinc/42/07/29/572420729.db2.gz BBTFZBBENIZTNE-LBPRGKRZSA-N 2 2 198.354 2.456 10 0 AEAELP CCCC[C@H](CC)C[N@@H+]1CCC[NH2+]C1 238797433 572420724 /nfs/dbraw/zinc/42/07/24/572420724.db2.gz BBTFZBBENIZTNE-LBPRGKRZSA-N 2 2 198.354 2.456 10 0 AEAELP CCCC[C@H](C)C[N@@H+]1CCC[NH2+]CC1 238796779 572421679 /nfs/dbraw/zinc/42/16/79/572421679.db2.gz BIXMKMDMSSQSIR-LBPRGKRZSA-N 2 2 198.354 2.108 10 0 AEAELP CCCC[C@H](C)C[N@H+]1CCC[NH2+]CC1 238796779 572421681 /nfs/dbraw/zinc/42/16/81/572421681.db2.gz BIXMKMDMSSQSIR-LBPRGKRZSA-N 2 2 198.354 2.108 10 0 AEAELP CC(C)[NH2+]C1=C(C[NH+](C)C)CCCC1 196630389 572424407 /nfs/dbraw/zinc/42/44/07/572424407.db2.gz VXBDXYVQKURVFX-UHFFFAOYSA-N 2 2 196.338 2.374 10 0 AEAELP CCCC[C@@H]([NH3+])C1([NH+](C)C)CCCC1 83825382 572428628 /nfs/dbraw/zinc/42/86/28/572428628.db2.gz ZQNLRGWSNNLNTM-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCCC[C@H]([NH3+])C1([NH+](C)C)CCCC1 83825379 572430923 /nfs/dbraw/zinc/43/09/23/572430923.db2.gz ZQNLRGWSNNLNTM-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC(C)C[NH+](CC(C)C)CC1([NH3+])CC1 83836992 572433502 /nfs/dbraw/zinc/43/35/02/572433502.db2.gz KTZYDLNJFCVHRL-UHFFFAOYSA-N 2 2 198.354 2.092 10 0 AEAELP C[C@H]([NH3+])C1([NH+](C)C)CCC(C)(C)CC1 74236712 572436959 /nfs/dbraw/zinc/43/69/59/572436959.db2.gz ANBDRUMNSVHYSX-JTQLQIEISA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1 74236566 572436980 /nfs/dbraw/zinc/43/69/80/572436980.db2.gz UUUFBDADCXKNES-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP C[N@@H+]1CC[C@H](CCC(C)(C)C)[C@@H]([NH3+])C1 74236761 572437545 /nfs/dbraw/zinc/43/75/45/572437545.db2.gz OGSAQYCHJKJUHJ-QWRGUYRKSA-N 2 2 198.354 2.092 10 0 AEAELP C[N@H+]1CC[C@H](CCC(C)(C)C)[C@@H]([NH3+])C1 74236761 572437549 /nfs/dbraw/zinc/43/75/49/572437549.db2.gz OGSAQYCHJKJUHJ-QWRGUYRKSA-N 2 2 198.354 2.092 10 0 AEAELP C[C@@H]([NH3+])C1([NH+](C)C)CCC(C)(C)CC1 74236713 572437964 /nfs/dbraw/zinc/43/79/64/572437964.db2.gz ANBDRUMNSVHYSX-SNVBAGLBSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@H]([NH3+])[C@H](C)[NH+]1CCCCCC1 74236568 572437778 /nfs/dbraw/zinc/43/77/78/572437778.db2.gz UUUFBDADCXKNES-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1 74236564 572438157 /nfs/dbraw/zinc/43/81/57/572438157.db2.gz UUUFBDADCXKNES-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1 74236628 572438312 /nfs/dbraw/zinc/43/83/12/572438312.db2.gz QZFCMVPSIIHNES-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP C[N@@H+]1CC[C@@H](CCC(C)(C)C)[C@@H]([NH3+])C1 74236758 572439020 /nfs/dbraw/zinc/43/90/20/572439020.db2.gz OGSAQYCHJKJUHJ-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP C[N@H+]1CC[C@@H](CCC(C)(C)C)[C@@H]([NH3+])C1 74236758 572439021 /nfs/dbraw/zinc/43/90/21/572439021.db2.gz OGSAQYCHJKJUHJ-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP CC[NH+](CC)C1([C@@H](C)[NH3+])CCCCC1 74236707 572439459 /nfs/dbraw/zinc/43/94/59/572439459.db2.gz XKUZWWGSRCALAN-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1 74236630 572439498 /nfs/dbraw/zinc/43/94/98/572439498.db2.gz QZFCMVPSIIHNES-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@H]([NH3+])[C@H](C)[NH+]1CCCCCC1 74236632 572439994 /nfs/dbraw/zinc/43/99/94/572439994.db2.gz QZFCMVPSIIHNES-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CC(C)[C@@H]([NH3+])[C@H](C)[NH+]1CCCCCC1 74236570 572440086 /nfs/dbraw/zinc/44/00/86/572440086.db2.gz UUUFBDADCXKNES-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH+](CC)C1([C@H](C)[NH3+])CCCCC1 74236710 572440263 /nfs/dbraw/zinc/44/02/63/572440263.db2.gz XKUZWWGSRCALAN-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC(C)CC[NH2+][C@H]1CCCC[N@H+](C)C1 76637690 572441997 /nfs/dbraw/zinc/44/19/97/572441997.db2.gz YVUGWZRCILMKPZ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[NH2+][C@H]1CCCC[N@@H+](C)C1 76637690 572442000 /nfs/dbraw/zinc/44/20/00/572442000.db2.gz YVUGWZRCILMKPZ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[NH2+][C@@H]1CCCC[N@H+](C)C1 76637688 572442160 /nfs/dbraw/zinc/44/21/60/572442160.db2.gz YVUGWZRCILMKPZ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[NH2+][C@@H]1CCCC[N@@H+](C)C1 76637688 572442163 /nfs/dbraw/zinc/44/21/63/572442163.db2.gz YVUGWZRCILMKPZ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCCCC[NH2+]CC[N@H+](C)C(C)C 53344189 572443877 /nfs/dbraw/zinc/44/38/77/572443877.db2.gz WORFUGOSZNWKTB-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CCCCC[NH2+]CC[N@@H+](C)C(C)C 53344189 572443880 /nfs/dbraw/zinc/44/38/80/572443880.db2.gz WORFUGOSZNWKTB-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@@H](C)[C@H]1C 61319823 572448338 /nfs/dbraw/zinc/44/83/38/572448338.db2.gz 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ZJCKWQOZXDPTHX-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[N@@H+](CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439035 572741888 /nfs/dbraw/zinc/74/18/88/572741888.db2.gz ZJCKWQOZXDPTHX-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH+](CCC)[C@@H]1C[NH2+]CC[C@H]1C 85439206 572741985 /nfs/dbraw/zinc/74/19/85/572741985.db2.gz ICYIDMANOONDGV-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH+](CCC)[C@H]1C[NH2+]CC[C@H]1C 85439208 572744000 /nfs/dbraw/zinc/74/40/00/572744000.db2.gz ICYIDMANOONDGV-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)[N@@H+](CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439291 572742052 /nfs/dbraw/zinc/74/20/52/572742052.db2.gz KOHMAJVBEDECNC-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+](C(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439264 572742278 /nfs/dbraw/zinc/74/22/78/572742278.db2.gz SYHSICYSHPTZFE-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+](C(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439264 572742281 /nfs/dbraw/zinc/74/22/81/572742281.db2.gz SYHSICYSHPTZFE-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[N@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439367 572743891 /nfs/dbraw/zinc/74/38/91/572743891.db2.gz LFRBLLOCSUWGBX-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[N@@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439367 572743894 /nfs/dbraw/zinc/74/38/94/572743894.db2.gz LFRBLLOCSUWGBX-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@H+](CC)[C@H]1C[NH2+]CC[C@@H]1C 85439037 572744074 /nfs/dbraw/zinc/74/40/74/572744074.db2.gz ZJCKWQOZXDPTHX-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[N@@H+](CC)[C@H]1C[NH2+]CC[C@@H]1C 85439037 572744078 /nfs/dbraw/zinc/74/40/78/572744078.db2.gz ZJCKWQOZXDPTHX-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](C)[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439372 572744327 /nfs/dbraw/zinc/74/43/27/572744327.db2.gz XPUYNMWTSWCYNI-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439372 572744332 /nfs/dbraw/zinc/74/43/32/572744332.db2.gz XPUYNMWTSWCYNI-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[NH+](CCC)[C@@H]1C[NH2+]CC[C@@H]1C 85439202 572744503 /nfs/dbraw/zinc/74/45/03/572744503.db2.gz ICYIDMANOONDGV-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439365 572745141 /nfs/dbraw/zinc/74/51/41/572745141.db2.gz LFRBLLOCSUWGBX-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439365 572745146 /nfs/dbraw/zinc/74/51/46/572745146.db2.gz LFRBLLOCSUWGBX-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+](C(C)C)[C@H]1C[NH2+]CC[C@@H]1C 85439266 572745230 /nfs/dbraw/zinc/74/52/30/572745230.db2.gz SYHSICYSHPTZFE-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+](C(C)C)[C@H]1C[NH2+]CC[C@@H]1C 85439266 572745234 /nfs/dbraw/zinc/74/52/34/572745234.db2.gz SYHSICYSHPTZFE-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C 49256300 572746186 /nfs/dbraw/zinc/74/61/86/572746186.db2.gz NKGNHSSTBSKHSK-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C 49256300 572746192 /nfs/dbraw/zinc/74/61/92/572746192.db2.gz NKGNHSSTBSKHSK-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](CCc1c[nH+]ccc1C)[NH2+]C 85442837 572746974 /nfs/dbraw/zinc/74/69/74/572746974.db2.gz ZMJKWCHVSJGLEO-GFCCVEGCSA-N 2 2 192.306 2.321 10 0 AEAELP C[NH2+][C@H](C)C[C@@H](C)c1c[nH+]ccc1C 85442904 572747015 /nfs/dbraw/zinc/74/70/15/572747015.db2.gz HZIHBUDHAYNNHD-GHMZBOCLSA-N 2 2 192.306 2.492 10 0 AEAELP CC[NH2+][C@H](C)CCc1c[nH+]ccc1C 85442779 572747327 /nfs/dbraw/zinc/74/73/27/572747327.db2.gz NKVHEABYFRAYEH-LLVKDONJSA-N 2 2 192.306 2.321 10 0 AEAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C 49256294 572747889 /nfs/dbraw/zinc/74/78/89/572747889.db2.gz NKGNHSSTBSKHSK-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCC(C)(C)C 49256294 572747894 /nfs/dbraw/zinc/74/78/94/572747894.db2.gz NKGNHSSTBSKHSK-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@H]([NH3+])CCc1c[nH+]ccc1C 85442734 572748110 /nfs/dbraw/zinc/74/81/10/572748110.db2.gz KWXAMCMMUUYFBU-GFCCVEGCSA-N 2 2 192.306 2.450 10 0 AEAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C 49256298 572748154 /nfs/dbraw/zinc/74/81/54/572748154.db2.gz NKGNHSSTBSKHSK-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C 49256298 572748158 /nfs/dbraw/zinc/74/81/58/572748158.db2.gz NKGNHSSTBSKHSK-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@@H](C)C[C@@H](C)c1c[nH+]ccc1C 85442908 572748354 /nfs/dbraw/zinc/74/83/54/572748354.db2.gz HZIHBUDHAYNNHD-MNOVXSKESA-N 2 2 192.306 2.492 10 0 AEAELP Cc1cc[nH+]cc1CC[C@H]([NH3+])C1CC1 85442752 572748415 /nfs/dbraw/zinc/74/84/15/572748415.db2.gz YXFNDRDQHFHVEJ-LBPRGKRZSA-N 2 2 190.290 2.060 10 0 AEAELP CC[C@@H]([NH3+])CCc1c[nH+]ccc1C 85442746 572748480 /nfs/dbraw/zinc/74/84/80/572748480.db2.gz ZYMRCMGVJFMPTE-LLVKDONJSA-N 2 2 178.279 2.060 10 0 AEAELP CC[NH2+][C@@H](C)CCc1c[nH+]ccc1C 85442777 572748852 /nfs/dbraw/zinc/74/88/52/572748852.db2.gz NKVHEABYFRAYEH-NSHDSACASA-N 2 2 192.306 2.321 10 0 AEAELP Cc1cc[nH+]cc1CC[C@@H]([NH3+])C1CC1 85442753 572748873 /nfs/dbraw/zinc/74/88/73/572748873.db2.gz YXFNDRDQHFHVEJ-GFCCVEGCSA-N 2 2 190.290 2.060 10 0 AEAELP C[NH2+][C@@H](C)C[C@H](C)c1c[nH+]ccc1C 85442906 572748979 /nfs/dbraw/zinc/74/89/79/572748979.db2.gz HZIHBUDHAYNNHD-QWRGUYRKSA-N 2 2 192.306 2.492 10 0 AEAELP C[NH2+][C@H](C)C[C@H](C)c1c[nH+]ccc1C 85442902 572748997 /nfs/dbraw/zinc/74/89/97/572748997.db2.gz HZIHBUDHAYNNHD-WDEREUQCSA-N 2 2 192.306 2.492 10 0 AEAELP CCC[C@H]([NH3+])CCc1c[nH+]ccc1C 85442733 572749174 /nfs/dbraw/zinc/74/91/74/572749174.db2.gz KWXAMCMMUUYFBU-LBPRGKRZSA-N 2 2 192.306 2.450 10 0 AEAELP CC[NH2+]C[C@H](C)Cc1c[nH+]ccc1C 85442874 572749299 /nfs/dbraw/zinc/74/92/99/572749299.db2.gz PWGNABQVTWCVRN-SNVBAGLBSA-N 2 2 192.306 2.178 10 0 AEAELP Cc1cc[nH+]cc1CCC[NH2+]C1CC1 85442765 572749455 /nfs/dbraw/zinc/74/94/55/572749455.db2.gz GIJXRCXWJICNGS-UHFFFAOYSA-N 2 2 190.290 2.075 10 0 AEAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C 49256296 572749470 /nfs/dbraw/zinc/74/94/70/572749470.db2.gz NKGNHSSTBSKHSK-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCC(C)(C)C 49256296 572749476 /nfs/dbraw/zinc/74/94/76/572749476.db2.gz NKGNHSSTBSKHSK-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+]C[C@@H](C)Cc1c[nH+]ccc1C 85442872 572749542 /nfs/dbraw/zinc/74/95/42/572749542.db2.gz PWGNABQVTWCVRN-JTQLQIEISA-N 2 2 192.306 2.178 10 0 AEAELP CCc1ccc(C[C@@H](C)CC[NH3+])[nH+]c1 87937100 572758851 /nfs/dbraw/zinc/75/88/51/572758851.db2.gz LXNUYRHNRZTLKD-JTQLQIEISA-N 2 2 192.306 2.171 10 0 AEAELP C[NH2+]CC[C@H](C)c1c[nH+]ccc1C 87948062 572761859 /nfs/dbraw/zinc/76/18/59/572761859.db2.gz PPFKMEFURGJPGY-VIFPVBQESA-N 2 2 178.279 2.103 10 0 AEAELP CC[NH2+]CC[C@H](C)c1ccc(C)[nH+]c1 87949193 572761919 /nfs/dbraw/zinc/76/19/19/572761919.db2.gz GZIIIHDSRVIALO-JTQLQIEISA-N 2 2 192.306 2.493 10 0 AEAELP C[NH2+]CC[C@@H](C)c1c[nH+]ccc1C 87948064 572762063 /nfs/dbraw/zinc/76/20/63/572762063.db2.gz PPFKMEFURGJPGY-SECBINFHSA-N 2 2 178.279 2.103 10 0 AEAELP C[NH2+]CC[C@H](C)c1ccc(C)[nH+]c1 87948057 572762389 /nfs/dbraw/zinc/76/23/89/572762389.db2.gz WOBSSRITOMRRBV-VIFPVBQESA-N 2 2 178.279 2.103 10 0 AEAELP CC(C)[C@H]([NH3+])c1cc2[nH]ccc2c[nH+]1 713746354 572763692 /nfs/dbraw/zinc/76/36/92/572763692.db2.gz CDYVYQCHJDKPBV-NSHDSACASA-N 2 2 189.262 2.219 10 0 AEAELP CC[NH2+]CC[C@H](C)c1c[nH+]ccc1C 87949196 572762488 /nfs/dbraw/zinc/76/24/88/572762488.db2.gz OJEQOASTGAZOCU-JTQLQIEISA-N 2 2 192.306 2.493 10 0 AEAELP CC[NH2+]CC[C@@H](C)c1c[nH+]ccc1C 87949194 572762836 /nfs/dbraw/zinc/76/28/36/572762836.db2.gz OJEQOASTGAZOCU-SNVBAGLBSA-N 2 2 192.306 2.493 10 0 AEAELP CC(C)[C@@H]([NH3+])c1cc2[nH]ccc2c[nH+]1 713746345 572763464 /nfs/dbraw/zinc/76/34/64/572763464.db2.gz CDYVYQCHJDKPBV-LLVKDONJSA-N 2 2 189.262 2.219 10 0 AEAELP CC[NH2+]CC[C@@H](C)c1ccc(C)[nH+]c1 87949191 572764117 /nfs/dbraw/zinc/76/41/17/572764117.db2.gz GZIIIHDSRVIALO-SNVBAGLBSA-N 2 2 192.306 2.493 10 0 AEAELP C[NH2+]CC[C@@H](C)c1ccc(C)[nH+]c1 87948060 572764371 /nfs/dbraw/zinc/76/43/71/572764371.db2.gz WOBSSRITOMRRBV-SECBINFHSA-N 2 2 178.279 2.103 10 0 AEAELP CCC[NH+](CCC)[C@@H]1CC[NH2+]C1(C)C 307916422 572764957 /nfs/dbraw/zinc/76/49/57/572764957.db2.gz WUHDOEXONDEZKA-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+]C[C@H](C)[C@@H](C)c1c[nH+]ccc1C 87951469 572765669 /nfs/dbraw/zinc/76/56/69/572765669.db2.gz AQJYHNPTRDHTBM-WDEREUQCSA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]C[C@@H](C)[C@H](C)c1ccc(C)[nH+]c1 87951466 572765056 /nfs/dbraw/zinc/76/50/56/572765056.db2.gz QBZAGEDSTIMMFF-KOLCDFICSA-N 2 2 192.306 2.349 10 0 AEAELP CCC[NH+](CCC)[C@H]1CC[NH2+]C1(C)C 307916423 572765167 /nfs/dbraw/zinc/76/51/67/572765167.db2.gz WUHDOEXONDEZKA-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+]C[C@H](C)[C@H](C)c1c[nH+]ccc1C 87951468 572766687 /nfs/dbraw/zinc/76/66/87/572766687.db2.gz AQJYHNPTRDHTBM-QWRGUYRKSA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]C[C@H](C)[C@H](C)c1ccc(C)[nH+]c1 87951464 572765979 /nfs/dbraw/zinc/76/59/79/572765979.db2.gz QBZAGEDSTIMMFF-ONGXEEELSA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]C[C@@H](C)[C@@H](C)c1ccc(C)[nH+]c1 87951467 572766043 /nfs/dbraw/zinc/76/60/43/572766043.db2.gz QBZAGEDSTIMMFF-MWLCHTKSSA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]C[C@H](C)[C@@H](C)c1ccc(C)[nH+]c1 87951465 572766506 /nfs/dbraw/zinc/76/65/06/572766506.db2.gz QBZAGEDSTIMMFF-GXSJLCMTSA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]C[C@@H](C)[C@@H](C)c1c[nH+]ccc1C 87951471 572767152 /nfs/dbraw/zinc/76/71/52/572767152.db2.gz AQJYHNPTRDHTBM-GHMZBOCLSA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]C[C@@H](C)[C@H](C)c1c[nH+]ccc1C 87951470 572767176 /nfs/dbraw/zinc/76/71/76/572767176.db2.gz AQJYHNPTRDHTBM-MNOVXSKESA-N 2 2 192.306 2.349 10 0 AEAELP C[NH2+]CCC(C)(C)c1c[nH+]ccc1C 87957031 572772597 /nfs/dbraw/zinc/77/25/97/572772597.db2.gz FZDXFCQUXXQACB-UHFFFAOYSA-N 2 2 192.306 2.277 10 0 AEAELP C[NH2+]CCC(C)(C)c1ccc(C)[nH+]c1 87957030 572772856 /nfs/dbraw/zinc/77/28/56/572772856.db2.gz ZOKPDKSXKLTDKD-UHFFFAOYSA-N 2 2 192.306 2.277 10 0 AEAELP CCCC[C@H]([NH3+])c1cc(N)c(C)c[nH+]1 713748908 572777397 /nfs/dbraw/zinc/77/73/97/572777397.db2.gz OIDOJGVVTZBSNZ-VIFPVBQESA-N 2 2 193.294 2.162 10 0 AEAELP CCCC[C@@H]([NH3+])c1cc(N)c(C)c[nH+]1 713748894 572779317 /nfs/dbraw/zinc/77/93/17/572779317.db2.gz OIDOJGVVTZBSNZ-SECBINFHSA-N 2 2 193.294 2.162 10 0 AEAELP CCC[N@H+](C)CC[NH2+]CCC1CCC1 688689615 572782235 /nfs/dbraw/zinc/78/22/35/572782235.db2.gz VIBVDYGOAPXNBN-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP CCC[N@@H+](C)CC[NH2+]CCC1CCC1 688689615 572782237 /nfs/dbraw/zinc/78/22/37/572782237.db2.gz VIBVDYGOAPXNBN-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP CCC[N@H+](CC(C)C)[C@H](C)[C@@H](C)[NH3+] 308128668 572783329 /nfs/dbraw/zinc/78/33/29/572783329.db2.gz CLNRKWNJRXYFLJ-GHMZBOCLSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@H](C)[C@@H](C)[NH3+] 308128668 572783335 /nfs/dbraw/zinc/78/33/35/572783335.db2.gz CLNRKWNJRXYFLJ-GHMZBOCLSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@H+](CC(C)C)[C@H](C)[C@H](C)[NH3+] 308128671 572784254 /nfs/dbraw/zinc/78/42/54/572784254.db2.gz CLNRKWNJRXYFLJ-WDEREUQCSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@H](C)[C@H](C)[NH3+] 308128671 572784256 /nfs/dbraw/zinc/78/42/56/572784256.db2.gz CLNRKWNJRXYFLJ-WDEREUQCSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@H+](CC(C)C)[C@@H](C)[C@H](C)[NH3+] 308128670 572785133 /nfs/dbraw/zinc/78/51/33/572785133.db2.gz CLNRKWNJRXYFLJ-QWRGUYRKSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@@H](C)[C@H](C)[NH3+] 308128670 572785135 /nfs/dbraw/zinc/78/51/35/572785135.db2.gz CLNRKWNJRXYFLJ-QWRGUYRKSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@H+](CC(C)C)[C@@H](C)[C@@H](C)[NH3+] 308128669 572785323 /nfs/dbraw/zinc/78/53/23/572785323.db2.gz CLNRKWNJRXYFLJ-MNOVXSKESA-N 2 2 186.343 2.090 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@@H](C)[C@@H](C)[NH3+] 308128669 572785325 /nfs/dbraw/zinc/78/53/25/572785325.db2.gz CLNRKWNJRXYFLJ-MNOVXSKESA-N 2 2 186.343 2.090 10 0 AEAELP CC[NH2+][C@@H](C)C(C)(C)[NH+]1CCCCC1 85741626 572787534 /nfs/dbraw/zinc/78/75/34/572787534.db2.gz CDWZFHSOAXIDIF-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]([NH3+])[C@@](C)(CC)[NH+](CC)CC 85747726 572788341 /nfs/dbraw/zinc/78/83/41/572788341.db2.gz YQSKMRKDCUNIOC-GHMZBOCLSA-N 2 2 186.343 2.234 10 0 AEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H]([NH3+])C1CC1 85747974 572788435 /nfs/dbraw/zinc/78/84/35/572788435.db2.gz WDBBQZSLUKTJED-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])[C@](C)(CC)[NH+](CC)CC 85747729 572788477 /nfs/dbraw/zinc/78/84/77/572788477.db2.gz YQSKMRKDCUNIOC-QWRGUYRKSA-N 2 2 186.343 2.234 10 0 AEAELP CC[NH+](CC)[C@](C)(CC)[C@@H]([NH3+])C1CC1 85747978 572788488 /nfs/dbraw/zinc/78/84/88/572788488.db2.gz WDBBQZSLUKTJED-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH+](CC)[C@@](C)(CC)[C@H]([NH3+])C1CC1 85747968 572789672 /nfs/dbraw/zinc/78/96/72/572789672.db2.gz WDBBQZSLUKTJED-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+][C@@H](C)C(C)(C)[NH+](CC)CC 85739531 572788562 /nfs/dbraw/zinc/78/85/62/572788562.db2.gz VFKIAOJBXLEYBB-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[NH2+][C@H](C)C(C)(C)[NH+]1CCCCC1 85741631 572789460 /nfs/dbraw/zinc/78/94/60/572789460.db2.gz CDWZFHSOAXIDIF-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH2+]C)C(C)(C)[NH+]1CCCCC1 85741499 572791297 /nfs/dbraw/zinc/79/12/97/572791297.db2.gz LHFGPSRITHZXMU-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+](C)[C@@](C)(CC)[C@H](C)[NH2+]C 308128284 572789891 /nfs/dbraw/zinc/78/98/91/572789891.db2.gz CFVJVKDMMYCOQT-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@@H+](C)[C@@](C)(CC)[C@H](C)[NH2+]C 308128284 572789893 /nfs/dbraw/zinc/78/98/93/572789893.db2.gz CFVJVKDMMYCOQT-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@H+](C)[C@](C)(CC)[C@H](C)[NH2+]C 308128286 572790030 /nfs/dbraw/zinc/79/00/30/572790030.db2.gz CFVJVKDMMYCOQT-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@@H+](C)[C@](C)(CC)[C@H](C)[NH2+]C 308128286 572790035 /nfs/dbraw/zinc/79/00/35/572790035.db2.gz CFVJVKDMMYCOQT-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP CC[NH2+][C@H](C)C(C)(C)[NH+](CC)CC 85739533 572790132 /nfs/dbraw/zinc/79/01/32/572790132.db2.gz VFKIAOJBXLEYBB-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H]([NH3+])[C@](C)(CC)[NH+](CC)CC 85747731 572790290 /nfs/dbraw/zinc/79/02/90/572790290.db2.gz YQSKMRKDCUNIOC-MNOVXSKESA-N 2 2 186.343 2.234 10 0 AEAELP CC[NH+](CC)[C@](C)(CC)[C@H]([NH3+])C1CC1 85747972 572790880 /nfs/dbraw/zinc/79/08/80/572790880.db2.gz WDBBQZSLUKTJED-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]([NH2+]C)C(C)(C)[NH+](CC)CC 85739263 572790812 /nfs/dbraw/zinc/79/08/12/572790812.db2.gz RSPFTAPXZYEZTP-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H]([NH3+])[C@@](C)(CC)[NH+](CC)CC 85747723 572791541 /nfs/dbraw/zinc/79/15/41/572791541.db2.gz YQSKMRKDCUNIOC-WDEREUQCSA-N 2 2 186.343 2.234 10 0 AEAELP CC[NH+](CC)C(C)(C)[C@@H]([NH3+])C(C)C 85739198 572791101 /nfs/dbraw/zinc/79/11/01/572791101.db2.gz OMHQKJSUYVHQNU-JTQLQIEISA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCCC1 85741503 572791480 /nfs/dbraw/zinc/79/14/80/572791480.db2.gz LHFGPSRITHZXMU-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+](C)[C@](C)(CC)[C@@H](C)[NH2+]C 308128280 572791921 /nfs/dbraw/zinc/79/19/21/572791921.db2.gz CFVJVKDMMYCOQT-GHMZBOCLSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@@H+](C)[C@](C)(CC)[C@@H](C)[NH2+]C 308128280 572791924 /nfs/dbraw/zinc/79/19/24/572791924.db2.gz CFVJVKDMMYCOQT-GHMZBOCLSA-N 2 2 186.343 2.105 10 0 AEAELP CCC(CC)([C@@H]([NH3+])CC1CC1)[NH+](C)C 85750680 572791943 /nfs/dbraw/zinc/79/19/43/572791943.db2.gz BXEZPOBDEWRHKE-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](C)[C@@](C)(CC)[C@@H](C)[NH2+]C 308128282 572792003 /nfs/dbraw/zinc/79/20/03/572792003.db2.gz CFVJVKDMMYCOQT-MNOVXSKESA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@@H+](C)[C@@](C)(CC)[C@@H](C)[NH2+]C 308128282 572792009 /nfs/dbraw/zinc/79/20/09/572792009.db2.gz CFVJVKDMMYCOQT-MNOVXSKESA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H]1CC[N@H+](CC(C)(C)C)CC[NH2+]1 49662326 572792112 /nfs/dbraw/zinc/79/21/12/572792112.db2.gz SKZDXJHNPZVRKK-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H]1CC[N@@H+](CC(C)(C)C)CC[NH2+]1 49662326 572792119 /nfs/dbraw/zinc/79/21/19/572792119.db2.gz SKZDXJHNPZVRKK-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH+](CC)[C@](C)(CC)[C@H](C)[NH2+]C 85748149 572792188 /nfs/dbraw/zinc/79/21/88/572792188.db2.gz VIMVBDXBUVSBSA-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP C[C@@H]1CC[N@@H+](C2CCCCC2)CC[NH2+]1 49661579 572792359 /nfs/dbraw/zinc/79/23/59/572792359.db2.gz GIVWGKHOQFPCQA-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[C@@H]1CC[N@H+](C2CCCCC2)CC[NH2+]1 49661579 572792364 /nfs/dbraw/zinc/79/23/64/572792364.db2.gz GIVWGKHOQFPCQA-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H]1CC[N@@H+](C2CCCC2)CC[NH2+]1 49661531 572792428 /nfs/dbraw/zinc/79/24/28/572792428.db2.gz HEEXUCJRQVVLFH-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H]1CC[N@H+](C2CCCC2)CC[NH2+]1 49661531 572792433 /nfs/dbraw/zinc/79/24/33/572792433.db2.gz HEEXUCJRQVVLFH-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@H]([NH3+])[C@@](C)(CC)[NH+]1CCCCC1 85749518 572792534 /nfs/dbraw/zinc/79/25/34/572792534.db2.gz KPEHCTMAPVKMKS-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)([C@@H]([NH3+])C(C)C)[NH+](C)C 85750683 572792658 /nfs/dbraw/zinc/79/26/58/572792658.db2.gz AOPHOOCPSGWHTF-JTQLQIEISA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]1CC[N@@H+]([C@@H](C)C(C)C)CC[NH2+]1 49660708 572792822 /nfs/dbraw/zinc/79/28/22/572792822.db2.gz JQKZEKGBOHQLLG-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1CC[N@H+]([C@@H](C)C(C)C)CC[NH2+]1 49660708 572792825 /nfs/dbraw/zinc/79/28/25/572792825.db2.gz JQKZEKGBOHQLLG-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C(C)C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49662419 572793727 /nfs/dbraw/zinc/79/37/27/572793727.db2.gz PABVDCXJAPUVAZ-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C(C)C)[N@H+]1CC[NH2+][C@@H](C)CC1 49662419 572793728 /nfs/dbraw/zinc/79/37/28/572793728.db2.gz PABVDCXJAPUVAZ-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH2+]C)[NH+]1CCCCC1 85749677 572793174 /nfs/dbraw/zinc/79/31/74/572793174.db2.gz LRWBPZZKIQIRQP-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H]([NH3+])C(CC)(CC)[NH+](C)C 85750611 572793208 /nfs/dbraw/zinc/79/32/08/572793208.db2.gz FWQXLWAGZMRQIW-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@H]([NH3+])[C@@](C)(CC)[NH+]1CCCCC1 85749517 572793363 /nfs/dbraw/zinc/79/33/63/572793363.db2.gz KPEHCTMAPVKMKS-NWDGAFQWSA-N 2 2 198.354 2.378 10 0 AEAELP CC(C)C[C@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 49661956 572794206 /nfs/dbraw/zinc/79/42/06/572794206.db2.gz GPULVIUIAVZLRM-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 49661956 572794210 /nfs/dbraw/zinc/79/42/10/572794210.db2.gz GPULVIUIAVZLRM-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 85748889 572794677 /nfs/dbraw/zinc/79/46/77/572794677.db2.gz PRDPYVYYPMOZPS-NWDGAFQWSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]1CC[N@@H+](C(C)(C)CC)CC[NH2+]1 49661560 572794717 /nfs/dbraw/zinc/79/47/17/572794717.db2.gz PXYHRGSLJOUOIX-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]1CC[N@H+](C(C)(C)CC)CC[NH2+]1 49661560 572794720 /nfs/dbraw/zinc/79/47/20/572794720.db2.gz PXYHRGSLJOUOIX-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](C)[NH2+]C 85748138 572794793 /nfs/dbraw/zinc/79/47/93/572794793.db2.gz VIMVBDXBUVSBSA-MNOVXSKESA-N 2 2 186.343 2.105 10 0 AEAELP CCC[C@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 85748893 572794809 /nfs/dbraw/zinc/79/48/09/572794809.db2.gz PRDPYVYYPMOZPS-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CC(C)C[C@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661957 572794946 /nfs/dbraw/zinc/79/49/46/572794946.db2.gz GPULVIUIAVZLRM-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661957 572794950 /nfs/dbraw/zinc/79/49/50/572794950.db2.gz GPULVIUIAVZLRM-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@](C)([C@@H]([NH3+])C(C)C)[NH+]1CCCC1 85748961 572794982 /nfs/dbraw/zinc/79/49/82/572794982.db2.gz IHBJVQYKICZMPD-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]1CC[N@@H+](C(C)(C)CC)CC[NH2+]1 49661562 572795003 /nfs/dbraw/zinc/79/50/03/572795003.db2.gz PXYHRGSLJOUOIX-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1CC[N@H+](C(C)(C)CC)CC[NH2+]1 49661562 572795007 /nfs/dbraw/zinc/79/50/07/572795007.db2.gz PXYHRGSLJOUOIX-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@](C)([C@H](C)[NH2+]C)[NH+]1CCCCC1 85749683 572795543 /nfs/dbraw/zinc/79/55/43/572795543.db2.gz LRWBPZZKIQIRQP-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1CC[N@@H+]([C@@H](C)C(C)C)CC[NH2+]1 49660710 572795711 /nfs/dbraw/zinc/79/57/11/572795711.db2.gz JQKZEKGBOHQLLG-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1CC[N@H+]([C@@H](C)C(C)C)CC[NH2+]1 49660710 572795714 /nfs/dbraw/zinc/79/57/14/572795714.db2.gz JQKZEKGBOHQLLG-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@](C)([C@H]([NH3+])C(C)C)[NH+]1CCCC1 85748958 572795994 /nfs/dbraw/zinc/79/59/94/572795994.db2.gz IHBJVQYKICZMPD-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)([C@H]([NH3+])CC1CC1)[NH+](C)C 85750678 572796009 /nfs/dbraw/zinc/79/60/09/572796009.db2.gz BXEZPOBDEWRHKE-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](C)[NH2+]C 85748144 572796183 /nfs/dbraw/zinc/79/61/83/572796183.db2.gz VIMVBDXBUVSBSA-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[C@@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 85748891 572796091 /nfs/dbraw/zinc/79/60/91/572796091.db2.gz PRDPYVYYPMOZPS-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP C[C@H]1CC[N@@H+](C2CCCCC2)CC[NH2+]1 49661581 572796349 /nfs/dbraw/zinc/79/63/49/572796349.db2.gz GIVWGKHOQFPCQA-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP C[C@H]1CC[N@H+](C2CCCCC2)CC[NH2+]1 49661581 572796353 /nfs/dbraw/zinc/79/63/53/572796353.db2.gz GIVWGKHOQFPCQA-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CCC[C@H]([NH3+])C(CC)(CC)[NH+](C)C 85750609 572796402 /nfs/dbraw/zinc/79/64/02/572796402.db2.gz FWQXLWAGZMRQIW-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@H]1CC[N@H+](CC(C)(C)C)CC[NH2+]1 49662327 572796443 /nfs/dbraw/zinc/79/64/43/572796443.db2.gz SKZDXJHNPZVRKK-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]1CC[N@@H+](CC(C)(C)C)CC[NH2+]1 49662327 572796447 /nfs/dbraw/zinc/79/64/47/572796447.db2.gz SKZDXJHNPZVRKK-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C(C)C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49662418 572796471 /nfs/dbraw/zinc/79/64/71/572796471.db2.gz PABVDCXJAPUVAZ-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C(C)C)[N@H+]1CC[NH2+][C@@H](C)CC1 49662418 572796475 /nfs/dbraw/zinc/79/64/75/572796475.db2.gz PABVDCXJAPUVAZ-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49662398 572796568 /nfs/dbraw/zinc/79/65/68/572796568.db2.gz NFYIRWRPSAAALV-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49662398 572796570 /nfs/dbraw/zinc/79/65/70/572796570.db2.gz NFYIRWRPSAAALV-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH3+])[C@](C)(CC)[NH+]1CCCCC1 85749519 572796702 /nfs/dbraw/zinc/79/67/02/572796702.db2.gz KPEHCTMAPVKMKS-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])[C@](C)(CC)[NH+]1CCCCC1 85749521 572796994 /nfs/dbraw/zinc/79/69/94/572796994.db2.gz KPEHCTMAPVKMKS-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 85748895 572797208 /nfs/dbraw/zinc/79/72/08/572797208.db2.gz PRDPYVYYPMOZPS-NEPJUHHUSA-N 2 2 198.354 2.378 10 0 AEAELP CCC(CC)([C@@H](C)[NH2+]C)[NH+]1CCCC1 85751406 572798993 /nfs/dbraw/zinc/79/89/93/572798993.db2.gz XZVZKVWFTATNDT-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H]([NH3+])C(CC)(CC)[NH+]1CCCC1 85751330 572799827 /nfs/dbraw/zinc/79/98/27/572799827.db2.gz SIGVOJDLMHCIMG-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[NH+](CC)C(CC)(CC)[C@@H](C)[NH3+] 85751118 572802605 /nfs/dbraw/zinc/80/26/05/572802605.db2.gz ORUYBVQABBUYOL-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@H]([NH3+])C1([NH+](CC)CC)CCCC1 85752280 572800835 /nfs/dbraw/zinc/80/08/35/572800835.db2.gz GTRKMOTWKMWOBX-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]([NH3+])C1([NH+](CC)CC)CCCC1 85752281 572801594 /nfs/dbraw/zinc/80/15/94/572801594.db2.gz GTRKMOTWKMWOBX-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[NH+](CC)C1([C@H](C)[NH2+]C)CCCC1 85752362 572802791 /nfs/dbraw/zinc/80/27/91/572802791.db2.gz NBCMSQUHPXCMOB-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH+](CC)C(CC)(CC)[C@H](C)[NH3+] 85751120 572802068 /nfs/dbraw/zinc/80/20/68/572802068.db2.gz ORUYBVQABBUYOL-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CCC(CC)([C@H](C)[NH2+]C)[NH+]1CCCC1 85751408 572802642 /nfs/dbraw/zinc/80/26/42/572802642.db2.gz XZVZKVWFTATNDT-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+][C@H](C)C(CC)(CC)[NH+](C)C 85750912 572803451 /nfs/dbraw/zinc/80/34/51/572803451.db2.gz HQSAOWLXPUYDRX-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CCCC[C@@H](C[NH+](C)C)[NH2+]CCC 85799828 572804360 /nfs/dbraw/zinc/80/43/60/572804360.db2.gz VOIRIRMAVLFIAQ-NSHDSACASA-N 2 2 186.343 2.106 10 0 AEAELP CC[C@H]1C[N@H+](CC)C2(CCCC2)C[NH2+]1 71345219 572804675 /nfs/dbraw/zinc/80/46/75/572804675.db2.gz TVLKBKGOQOETJQ-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H]1C[N@@H+](CC)C2(CCCC2)C[NH2+]1 71345219 572804680 /nfs/dbraw/zinc/80/46/80/572804680.db2.gz TVLKBKGOQOETJQ-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@@H](CCC1CC1)C[NH+](C)C 85800017 572804987 /nfs/dbraw/zinc/80/49/87/572804987.db2.gz KNRPZPIKTRDPAQ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CC 71346477 572805155 /nfs/dbraw/zinc/80/51/55/572805155.db2.gz MSDLKCFXQMIUSQ-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)C[N@H+]1CC 71346477 572805159 /nfs/dbraw/zinc/80/51/59/572805159.db2.gz MSDLKCFXQMIUSQ-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@](C)([C@H](C)[NH2+]C)[N@H+](C)C(C)C 308132927 572805338 /nfs/dbraw/zinc/80/53/38/572805338.db2.gz GGWXPIAOSSRCFJ-WDEREUQCSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@](C)([C@H](C)[NH2+]C)[N@@H+](C)C(C)C 308132927 572805342 /nfs/dbraw/zinc/80/53/42/572805342.db2.gz GGWXPIAOSSRCFJ-WDEREUQCSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH2+]C)[N@H+](C)C(C)C 308132925 572805366 /nfs/dbraw/zinc/80/53/66/572805366.db2.gz GGWXPIAOSSRCFJ-MNOVXSKESA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH2+]C)[N@@H+](C)C(C)C 308132925 572805368 /nfs/dbraw/zinc/80/53/68/572805368.db2.gz GGWXPIAOSSRCFJ-MNOVXSKESA-N 2 2 186.343 2.103 10 0 AEAELP CCC[NH2+][C@@H](C[NH+](C)C)C1CCCC1 85800045 572805466 /nfs/dbraw/zinc/80/54/66/572805466.db2.gz HYWJUUWKRYMRPH-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1CC 71346474 572805921 /nfs/dbraw/zinc/80/59/21/572805921.db2.gz MSDLKCFXQMIUSQ-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1CC 71346474 572805923 /nfs/dbraw/zinc/80/59/23/572805923.db2.gz MSDLKCFXQMIUSQ-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1CC 71346472 572806043 /nfs/dbraw/zinc/80/60/43/572806043.db2.gz MSDLKCFXQMIUSQ-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1CC 71346472 572806044 /nfs/dbraw/zinc/80/60/44/572806044.db2.gz MSDLKCFXQMIUSQ-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[C@H](C[NH+](C)C)[NH2+]CCC 85799829 572806120 /nfs/dbraw/zinc/80/61/20/572806120.db2.gz VOIRIRMAVLFIAQ-LLVKDONJSA-N 2 2 186.343 2.106 10 0 AEAELP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CC 71346476 572806146 /nfs/dbraw/zinc/80/61/46/572806146.db2.gz MSDLKCFXQMIUSQ-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)C[N@H+]1CC 71346476 572806150 /nfs/dbraw/zinc/80/61/50/572806150.db2.gz MSDLKCFXQMIUSQ-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1C[N@H+](CC)C2(CCCC2)C[NH2+]1 71345217 572806235 /nfs/dbraw/zinc/80/62/35/572806235.db2.gz TVLKBKGOQOETJQ-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@H]1C[N@@H+](CC)C2(CCCC2)C[NH2+]1 71345217 572806239 /nfs/dbraw/zinc/80/62/39/572806239.db2.gz TVLKBKGOQOETJQ-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@H](CC1CCC1)C[NH+](C)C 85800112 572806289 /nfs/dbraw/zinc/80/62/89/572806289.db2.gz MZWRFAWBANHXIX-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@](C)([C@@H](C)[NH2+]C)[N@H+](C)C(C)C 308132923 572806305 /nfs/dbraw/zinc/80/63/05/572806305.db2.gz GGWXPIAOSSRCFJ-GHMZBOCLSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@](C)([C@@H](C)[NH2+]C)[N@@H+](C)C(C)C 308132923 572806308 /nfs/dbraw/zinc/80/63/08/572806308.db2.gz GGWXPIAOSSRCFJ-GHMZBOCLSA-N 2 2 186.343 2.103 10 0 AEAELP CCC[NH2+][C@H](CCC1CC1)C[NH+](C)C 85800020 572806836 /nfs/dbraw/zinc/80/68/36/572806836.db2.gz KNRPZPIKTRDPAQ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH2+][C@@H](CC1CCC1)C[NH+](C)C 85800110 572807594 /nfs/dbraw/zinc/80/75/94/572807594.db2.gz MZWRFAWBANHXIX-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH2+][C@H](C[NH+](C)C)C1CCCC1 85800048 572808084 /nfs/dbraw/zinc/80/80/84/572808084.db2.gz HYWJUUWKRYMRPH-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[N@H+](CC(C)C)C[C@H]([NH3+])CC 308137581 572808558 /nfs/dbraw/zinc/80/85/58/572808558.db2.gz JHLLEPZQSJRUAE-LLVKDONJSA-N 2 2 186.343 2.092 10 0 AEAELP CCC[N@@H+](CC(C)C)C[C@H]([NH3+])CC 308137581 572808559 /nfs/dbraw/zinc/80/85/59/572808559.db2.gz JHLLEPZQSJRUAE-LLVKDONJSA-N 2 2 186.343 2.092 10 0 AEAELP CCC[N@H+](CC(C)C)C[C@@H]([NH3+])CC 308137584 572810594 /nfs/dbraw/zinc/81/05/94/572810594.db2.gz JHLLEPZQSJRUAE-NSHDSACASA-N 2 2 186.343 2.092 10 0 AEAELP CCC[N@@H+](CC(C)C)C[C@@H]([NH3+])CC 308137584 572810597 /nfs/dbraw/zinc/81/05/97/572810597.db2.gz JHLLEPZQSJRUAE-NSHDSACASA-N 2 2 186.343 2.092 10 0 AEAELP CC[NH+](CC)CC[C@@H]([NH3+])c1ccco1 85795233 572817698 /nfs/dbraw/zinc/81/76/98/572817698.db2.gz BDZUAPNJJJCIHF-SNVBAGLBSA-N 2 2 196.294 2.011 10 0 AEAELP CCCCC[C@H](C[NH+](C)C)[NH2+]CC 85799503 572816801 /nfs/dbraw/zinc/81/68/01/572816801.db2.gz LXGCFDAXTLLMMT-LLVKDONJSA-N 2 2 186.343 2.106 10 0 AEAELP CC[NH2+][C@H](C[NH+](C)C)C1CCCCC1 85799507 572816898 /nfs/dbraw/zinc/81/68/98/572816898.db2.gz BDIGRFHDMMSJGY-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH+](CC)CC[C@H]([NH3+])c1ccco1 85795231 572816910 /nfs/dbraw/zinc/81/69/10/572816910.db2.gz BDZUAPNJJJCIHF-JTQLQIEISA-N 2 2 196.294 2.011 10 0 AEAELP CCCCCC[C@@H](C[NH+](C)C)[NH2+]C 85798621 572817235 /nfs/dbraw/zinc/81/72/35/572817235.db2.gz HHLIFCRGLQIJPZ-NSHDSACASA-N 2 2 186.343 2.106 10 0 AEAELP CC[NH+](CC)CC[C@@H]([NH3+])c1ccoc1 85795390 572817742 /nfs/dbraw/zinc/81/77/42/572817742.db2.gz QMASJEMIBVPHDK-LLVKDONJSA-N 2 2 196.294 2.011 10 0 AEAELP CCCCCC[C@H](C[NH+](C)C)[NH2+]C 85798622 572818228 /nfs/dbraw/zinc/81/82/28/572818228.db2.gz HHLIFCRGLQIJPZ-LLVKDONJSA-N 2 2 186.343 2.106 10 0 AEAELP CC[NH2+][C@H](CC1CCCC1)C[NH+](C)C 85799299 572818372 /nfs/dbraw/zinc/81/83/72/572818372.db2.gz YGKMRRSJUYAACL-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH2+][C@@H](C[NH+](C)C)C1CCCCC1 85799505 572818433 /nfs/dbraw/zinc/81/84/33/572818433.db2.gz BDIGRFHDMMSJGY-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH2+][C@@H](CC1CCCC1)C[NH+](C)C 85799295 572819441 /nfs/dbraw/zinc/81/94/41/572819441.db2.gz YGKMRRSJUYAACL-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP C[N@@H+]1CCC[C@H](CC(C)(C)C)[C@@H]([NH3+])C1 75124778 572825409 /nfs/dbraw/zinc/82/54/09/572825409.db2.gz LSUTVYUAYYEUFR-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP C[N@H+]1CCC[C@H](CC(C)(C)C)[C@@H]([NH3+])C1 75124778 572825411 /nfs/dbraw/zinc/82/54/11/572825411.db2.gz LSUTVYUAYYEUFR-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP C[N@@H+]1CCC[C@@H](CC(C)(C)C)[C@@H]([NH3+])C1 75124776 572828490 /nfs/dbraw/zinc/82/84/90/572828490.db2.gz LSUTVYUAYYEUFR-QWRGUYRKSA-N 2 2 198.354 2.092 10 0 AEAELP C[N@H+]1CCC[C@@H](CC(C)(C)C)[C@@H]([NH3+])C1 75124776 572828493 /nfs/dbraw/zinc/82/84/93/572828493.db2.gz LSUTVYUAYYEUFR-QWRGUYRKSA-N 2 2 198.354 2.092 10 0 AEAELP CCCC(CCC)[N@H+](C)C[C@H](C)[NH3+] 308142067 572830318 /nfs/dbraw/zinc/83/03/18/572830318.db2.gz LVBWXJLRJTZPCE-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CCCC(CCC)[N@@H+](C)C[C@H](C)[NH3+] 308142067 572830321 /nfs/dbraw/zinc/83/03/21/572830321.db2.gz LVBWXJLRJTZPCE-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP C=C/C=C\CC[NH2+]C[C@@H](CC)[NH+](C)C 713763383 572830335 /nfs/dbraw/zinc/83/03/35/572830335.db2.gz NKOAIPKKEOQFNZ-QDZRJHCZSA-N 2 2 196.338 2.049 10 0 AEAELP C=C/C=C/CC[NH2+]C[C@H](CC)[NH+](C)C 713763378 572830715 /nfs/dbraw/zinc/83/07/15/572830715.db2.gz NKOAIPKKEOQFNZ-GUOLPTJISA-N 2 2 196.338 2.049 10 0 AEAELP C=C/C=C\CC[NH2+]C[C@H](CC)[NH+](C)C 713763380 572830848 /nfs/dbraw/zinc/83/08/48/572830848.db2.gz NKOAIPKKEOQFNZ-KRZKBDHCSA-N 2 2 196.338 2.049 10 0 AEAELP C=C/C=C/CC[NH2+]C[C@@H](CC)[NH+](C)C 713763376 572832847 /nfs/dbraw/zinc/83/28/47/572832847.db2.gz NKOAIPKKEOQFNZ-ABZNLYFFSA-N 2 2 196.338 2.049 10 0 AEAELP CC[NH2+][C@@H](C)[C@@](C)(CC)[N@H+](C)CC 308142327 572833745 /nfs/dbraw/zinc/83/37/45/572833745.db2.gz MBVFUBWWTXKXDS-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP CC[NH2+][C@@H](C)[C@@](C)(CC)[N@@H+](C)CC 308142327 572833749 /nfs/dbraw/zinc/83/37/49/572833749.db2.gz MBVFUBWWTXKXDS-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP CCc1[nH+]c(CC(C)(C)C)[nH]c1C[NH3+] 75407145 572841061 /nfs/dbraw/zinc/84/10/61/572841061.db2.gz AAUBOHFFFVZHJS-UHFFFAOYSA-N 2 2 195.310 2.019 10 0 AEAELP CCCCCC[N@@H+]1CCC=C[C@H]1C[NH3+] 75414286 572840902 /nfs/dbraw/zinc/84/09/02/572840902.db2.gz FVNNMBXBKASILD-LBPRGKRZSA-N 2 2 196.338 2.156 10 0 AEAELP CCCCCC[N@H+]1CCC=C[C@H]1C[NH3+] 75414286 572840905 /nfs/dbraw/zinc/84/09/05/572840905.db2.gz FVNNMBXBKASILD-LBPRGKRZSA-N 2 2 196.338 2.156 10 0 AEAELP CCC[C@](C)(C[NH3+])[NH+]1C[C@@H](C)[C@H](C)C1 86009000 572842201 /nfs/dbraw/zinc/84/22/01/572842201.db2.gz CWZIGZYQPZMQPA-IJLUTSLNSA-N 2 2 198.354 2.092 10 0 AEAELP CCCCCC[N@@H+]1CCC=C[C@@H]1C[NH3+] 75414284 572842227 /nfs/dbraw/zinc/84/22/27/572842227.db2.gz FVNNMBXBKASILD-GFCCVEGCSA-N 2 2 196.338 2.156 10 0 AEAELP CCCCCC[N@H+]1CCC=C[C@@H]1C[NH3+] 75414284 572842230 /nfs/dbraw/zinc/84/22/30/572842230.db2.gz FVNNMBXBKASILD-GFCCVEGCSA-N 2 2 196.338 2.156 10 0 AEAELP CCC[C@@](C)(C[NH3+])[N@H+]1C[C@@H](C)[C@@H](C)C1 86008995 572842642 /nfs/dbraw/zinc/84/26/42/572842642.db2.gz CWZIGZYQPZMQPA-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@@](C)(C[NH3+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008995 572842645 /nfs/dbraw/zinc/84/26/45/572842645.db2.gz CWZIGZYQPZMQPA-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)c1[nH]c(C[NH3+])c(C(C)(C)C)[nH+]1 75407096 572843310 /nfs/dbraw/zinc/84/33/10/572843310.db2.gz GFQVLKLXWVXTCG-UHFFFAOYSA-N 2 2 195.310 2.289 10 0 AEAELP CC(C)c1[nH]c(C[NH3+])c(C(C)C)[nH+]1 75407194 572843449 /nfs/dbraw/zinc/84/34/49/572843449.db2.gz YTXODGNWJUFLNC-UHFFFAOYSA-N 2 2 181.283 2.115 10 0 AEAELP CCC[C@](C)(C[NH3+])[N@H+]1C[C@@H](C)[C@@H](C)C1 86008997 572843627 /nfs/dbraw/zinc/84/36/27/572843627.db2.gz CWZIGZYQPZMQPA-GRYCIOLGSA-N 2 2 198.354 2.092 10 0 AEAELP 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/nfs/dbraw/zinc/98/34/06/572983406.db2.gz YLUYKRHHXDYWQR-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@](C)([NH3+])C[N@H+]1CCC[C@@H]1C(C)C 86810693 572983407 /nfs/dbraw/zinc/98/34/07/572983407.db2.gz YLUYKRHHXDYWQR-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@](C)([NH3+])C[N@H+](CC(C)C)C1CC1 86809784 572983463 /nfs/dbraw/zinc/98/34/63/572983463.db2.gz DDVUTMNMSMKSPS-GFCCVEGCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@](C)([NH3+])C[N@@H+](CC(C)C)C1CC1 86809784 572983464 /nfs/dbraw/zinc/98/34/64/572983464.db2.gz DDVUTMNMSMKSPS-GFCCVEGCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(C)(C)[N@H+](C)C[C@@](C)([NH3+])CC 86810480 572983518 /nfs/dbraw/zinc/98/35/18/572983518.db2.gz RBIBWRQTTIJFSN-NSHDSACASA-N 2 2 186.343 2.234 10 0 AEAELP CCC(C)(C)[N@@H+](C)C[C@@](C)([NH3+])CC 86810480 572983519 /nfs/dbraw/zinc/98/35/19/572983519.db2.gz RBIBWRQTTIJFSN-NSHDSACASA-N 2 2 186.343 2.234 10 0 AEAELP CCC[N@H+](CC)CC([NH3+])(CC)CC 86814332 572983605 /nfs/dbraw/zinc/98/36/05/572983605.db2.gz TXYQMYDZAJZIRQ-UHFFFAOYSA-N 2 2 186.343 2.236 10 0 AEAELP CCC[N@@H+](CC)CC([NH3+])(CC)CC 86814332 572983607 /nfs/dbraw/zinc/98/36/07/572983607.db2.gz TXYQMYDZAJZIRQ-UHFFFAOYSA-N 2 2 186.343 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@H+](C)[C@H](C)C1CC1 86814396 572983666 /nfs/dbraw/zinc/98/36/66/572983666.db2.gz DSODUBHTQCBXFF-SNVBAGLBSA-N 2 2 198.354 2.234 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+](C)[C@H](C)C1CC1 86814396 572983667 /nfs/dbraw/zinc/98/36/67/572983667.db2.gz DSODUBHTQCBXFF-SNVBAGLBSA-N 2 2 198.354 2.234 10 0 AEAELP CCC([NH3+])(CC)C[NH+]1CCC(C)CC1 86814239 572983671 /nfs/dbraw/zinc/98/36/71/572983671.db2.gz NKSPQGWFUVMFJZ-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@@H](C)[N@H+](C)CC([NH3+])(CC)CC 86814342 572983746 /nfs/dbraw/zinc/98/37/46/572983746.db2.gz LRVYOIUPAMLZHY-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@@H](C)[N@@H+](C)CC([NH3+])(CC)CC 86814342 572983748 /nfs/dbraw/zinc/98/37/48/572983748.db2.gz LRVYOIUPAMLZHY-SNVBAGLBSA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@H](C)[N@H+](C)CC([NH3+])(CC)CC 86814344 572983758 /nfs/dbraw/zinc/98/37/58/572983758.db2.gz LRVYOIUPAMLZHY-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CC[C@H](C)[N@@H+](C)CC([NH3+])(CC)CC 86814344 572983759 /nfs/dbraw/zinc/98/37/59/572983759.db2.gz LRVYOIUPAMLZHY-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CC[N@@H+](CC([NH3+])(CC)CC)C(C)C 86814325 572984653 /nfs/dbraw/zinc/98/46/53/572984653.db2.gz IOVKNCGSHFMDEP-UHFFFAOYSA-N 2 2 186.343 2.234 10 0 AEAELP CCC([NH3+])(CC)C[N@H+](C)C1CCCC1 86814330 572984068 /nfs/dbraw/zinc/98/40/68/572984068.db2.gz RRYAFSVROPQGGY-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+](C)C1CCCC1 86814330 572984070 /nfs/dbraw/zinc/98/40/70/572984070.db2.gz RRYAFSVROPQGGY-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1CCC[C@H](C)C1 86814261 572984273 /nfs/dbraw/zinc/98/42/73/572984273.db2.gz QBRMFKFRPDJVMK-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1CCC[C@H](C)C1 86814261 572984274 /nfs/dbraw/zinc/98/42/74/572984274.db2.gz QBRMFKFRPDJVMK-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@H+](C)[C@@H](C)C1CC1 86814394 572984297 /nfs/dbraw/zinc/98/42/97/572984297.db2.gz DSODUBHTQCBXFF-JTQLQIEISA-N 2 2 198.354 2.234 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+](C)[C@@H](C)C1CC1 86814394 572984298 /nfs/dbraw/zinc/98/42/98/572984298.db2.gz DSODUBHTQCBXFF-JTQLQIEISA-N 2 2 198.354 2.234 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1CCC[C@@H](C)C1 86814262 572984441 /nfs/dbraw/zinc/98/44/41/572984441.db2.gz QBRMFKFRPDJVMK-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1CCC[C@@H](C)C1 86814262 572984443 /nfs/dbraw/zinc/98/44/43/572984443.db2.gz QBRMFKFRPDJVMK-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1CCCC[C@H]1C 86814249 572984470 /nfs/dbraw/zinc/98/44/70/572984470.db2.gz SYQSFNMHOYFVQY-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1CCCC[C@H]1C 86814249 572984472 /nfs/dbraw/zinc/98/44/72/572984472.db2.gz SYQSFNMHOYFVQY-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[N@H+](CC([NH3+])(CC)CC)C(C)C 86814325 572984652 /nfs/dbraw/zinc/98/46/52/572984652.db2.gz IOVKNCGSHFMDEP-UHFFFAOYSA-N 2 2 186.343 2.234 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1CCCC[C@@H]1C 86814248 572984726 /nfs/dbraw/zinc/98/47/26/572984726.db2.gz SYQSFNMHOYFVQY-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1CCCC[C@@H]1C 86814248 572984728 /nfs/dbraw/zinc/98/47/28/572984728.db2.gz SYQSFNMHOYFVQY-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[N@H+](C)CC(C)C 86814340 572984865 /nfs/dbraw/zinc/98/48/65/572984865.db2.gz QFNBQYGRDFURLR-UHFFFAOYSA-N 2 2 186.343 2.092 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+](C)CC(C)C 86814340 572984867 /nfs/dbraw/zinc/98/48/67/572984867.db2.gz QFNBQYGRDFURLR-UHFFFAOYSA-N 2 2 186.343 2.092 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1CCCC1(C)C 86814762 572985315 /nfs/dbraw/zinc/98/53/15/572985315.db2.gz XWMPMFQFYAHJDG-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1CCCC1(C)C 86814762 572985316 /nfs/dbraw/zinc/98/53/16/572985316.db2.gz XWMPMFQFYAHJDG-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CCC([NH3+])(CC)C[NH+]1C[C@H](C)[C@@H](C)C1 86814903 572985482 /nfs/dbraw/zinc/98/54/82/572985482.db2.gz CFYDOPFVRUIFHC-QWRGUYRKSA-N 2 2 198.354 2.092 10 0 AEAELP CCC([NH3+])(CC)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86814901 572985772 /nfs/dbraw/zinc/98/57/72/572985772.db2.gz CFYDOPFVRUIFHC-PHIMTYICSA-N 2 2 198.354 2.092 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86814901 572985774 /nfs/dbraw/zinc/98/57/74/572985774.db2.gz CFYDOPFVRUIFHC-PHIMTYICSA-N 2 2 198.354 2.092 10 0 AEAELP CC[N@H+](CC1CC1)CC([NH3+])(CC)CC 86814817 572985898 /nfs/dbraw/zinc/98/58/98/572985898.db2.gz QGYDCZMNXGBFFD-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[N@@H+](CC1CC1)CC([NH3+])(CC)CC 86814817 572985899 /nfs/dbraw/zinc/98/58/99/572985899.db2.gz QGYDCZMNXGBFFD-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[NH+]1C[C@@H](C)[C@H](C)C1 86814902 572986348 /nfs/dbraw/zinc/98/63/48/572986348.db2.gz CFYDOPFVRUIFHC-GHMZBOCLSA-N 2 2 198.354 2.092 10 0 AEAELP CCC([NH3+])(CC)C[N@H+](C)CC1CCC1 86814735 572986614 /nfs/dbraw/zinc/98/66/14/572986614.db2.gz HETOUFJIYODPER-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CCC([NH3+])(CC)C[N@@H+](C)CC1CCC1 86814735 572986616 /nfs/dbraw/zinc/98/66/16/572986616.db2.gz HETOUFJIYODPER-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CCC[C@H]([NH3+])c1c(C)cc(C)[nH+]c1N 238241463 572998332 /nfs/dbraw/zinc/99/83/32/572998332.db2.gz FXPOMDQVXSTGKZ-VIFPVBQESA-N 2 2 193.294 2.081 10 0 AEAELP Cc1[nH+]ccc2cc(CC[NH3+])ccc12 258209820 572998639 /nfs/dbraw/zinc/99/86/39/572998639.db2.gz ZHKAPFAHOWXOQD-UHFFFAOYSA-N 2 2 186.258 2.044 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](CC(C)C)C(C)C 42593475 573001902 /nfs/dbraw/zinc/00/19/02/573001902.db2.gz OWBZDEVJLWZBLE-NSHDSACASA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](CC(C)C)C(C)C 42593475 573001906 /nfs/dbraw/zinc/00/19/06/573001906.db2.gz OWBZDEVJLWZBLE-NSHDSACASA-N 2 2 186.343 2.090 10 0 AEAELP CC(C)[C@H]([NH3+])C[N@H+](CC1CC1)C(C)C 42593634 573002632 /nfs/dbraw/zinc/00/26/32/573002632.db2.gz CBIMRSGNTZQHLK-GFCCVEGCSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@H]([NH3+])C[N@@H+](CC1CC1)C(C)C 42593634 573002636 /nfs/dbraw/zinc/00/26/36/573002636.db2.gz CBIMRSGNTZQHLK-GFCCVEGCSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1[NH3+] 308473140 573004501 /nfs/dbraw/zinc/00/45/01/573004501.db2.gz JKKNOZLRAOHQKW-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC(C)C)[C@H]1CCC[C@@H]1[NH3+] 308473140 573004495 /nfs/dbraw/zinc/00/44/95/573004495.db2.gz JKKNOZLRAOHQKW-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC(C)C)[C@@H]1CCC[C@H]1[NH3+] 308473141 573006822 /nfs/dbraw/zinc/00/68/22/573006822.db2.gz JKKNOZLRAOHQKW-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@H]1[NH3+] 308473141 573006825 /nfs/dbraw/zinc/00/68/25/573006825.db2.gz JKKNOZLRAOHQKW-VXGBXAGGSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC(C)C)[C@H]1CCC[C@H]1[NH3+] 308473138 573007540 /nfs/dbraw/zinc/00/75/40/573007540.db2.gz JKKNOZLRAOHQKW-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@H]1CCC[C@H]1[NH3+] 308473138 573007542 /nfs/dbraw/zinc/00/75/42/573007542.db2.gz JKKNOZLRAOHQKW-NEPJUHHUSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC(C)C)[C@@H]1CCC[C@@H]1[NH3+] 308473139 573007568 /nfs/dbraw/zinc/00/75/68/573007568.db2.gz JKKNOZLRAOHQKW-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H]1[NH3+] 308473139 573007575 /nfs/dbraw/zinc/00/75/75/573007575.db2.gz JKKNOZLRAOHQKW-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CCCc1[nH]c([C@@H]2CCCC[NH2+]2)c[nH+]1 238252324 573008388 /nfs/dbraw/zinc/00/83/88/573008388.db2.gz AAAFQGDJACNBOR-VIFPVBQESA-N 2 2 193.294 2.177 10 0 AEAELP CCC[C@H]([NH3+])c1ccn2cc[nH+]c2c1 238251863 573010097 /nfs/dbraw/zinc/01/00/97/573010097.db2.gz ZACXIGJFFIKNPV-JTQLQIEISA-N 2 2 189.262 2.134 10 0 AEAELP CCCC[C@@H](C)C[N@@H+]1CCC[NH2+]CC1 238252240 573010407 /nfs/dbraw/zinc/01/04/07/573010407.db2.gz BIXMKMDMSSQSIR-GFCCVEGCSA-N 2 2 198.354 2.108 10 0 AEAELP CCCC[C@@H](C)C[N@H+]1CCC[NH2+]CC1 238252240 573010412 /nfs/dbraw/zinc/01/04/12/573010412.db2.gz BIXMKMDMSSQSIR-GFCCVEGCSA-N 2 2 198.354 2.108 10 0 AEAELP CC(C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 42597610 573012977 /nfs/dbraw/zinc/01/29/77/573012977.db2.gz QNKHSNJPQBCYHV-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)C[NH2+][C@@H](C)C[NH+]1CCCC1 42597813 573013649 /nfs/dbraw/zinc/01/36/49/573013649.db2.gz ABHHALPXCUBWMI-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)[N@H+](CC)CC1([NH2+]C)CCC1 308475640 573014794 /nfs/dbraw/zinc/01/47/94/573014794.db2.gz JFGDDOUAZCVGAE-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)[N@@H+](CC)CC1([NH2+]C)CCC1 308475640 573014801 /nfs/dbraw/zinc/01/48/01/573014801.db2.gz JFGDDOUAZCVGAE-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@@H](C)C[NH2+][C@H](C)C[NH+]1CCCC1 42597817 573014943 /nfs/dbraw/zinc/01/49/43/573014943.db2.gz ABHHALPXCUBWMI-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCCc1[nH]c([C@H]2CCCC[NH2+]2)c[nH+]1 238252581 573015890 /nfs/dbraw/zinc/01/58/90/573015890.db2.gz AAAFQGDJACNBOR-SECBINFHSA-N 2 2 193.294 2.177 10 0 AEAELP Cc1cc[nH+]cc1[C@H](C)[C@H](C)C[NH3+] 87937670 573016322 /nfs/dbraw/zinc/01/63/22/573016322.db2.gz PIZTXRBRWPKTKA-NXEZZACHSA-N 2 2 178.279 2.088 10 0 AEAELP Cc1cc[nH+]cc1[C@H]1CCC[C@H]1C[NH3+] 87939353 573017042 /nfs/dbraw/zinc/01/70/42/573017042.db2.gz OUGWKJJAWCVAFQ-QWRGUYRKSA-N 2 2 190.290 2.232 10 0 AEAELP CC[N@H+](CC(C)C)CC1([NH2+]C)CCC1 308475825 573017528 /nfs/dbraw/zinc/01/75/28/573017528.db2.gz JLEQSHICWPYKEB-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+](CC(C)C)CC1([NH2+]C)CCC1 308475825 573017535 /nfs/dbraw/zinc/01/75/35/573017535.db2.gz JLEQSHICWPYKEB-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP Cc1cc[nH+]cc1[C@@H]1CCC[C@H]1C[NH3+] 87939351 573017994 /nfs/dbraw/zinc/01/79/94/573017994.db2.gz OUGWKJJAWCVAFQ-WDEREUQCSA-N 2 2 190.290 2.232 10 0 AEAELP Cc1cc[nH+]cc1[C@H]1CCC[C@@H]1C[NH3+] 87939349 573018719 /nfs/dbraw/zinc/01/87/19/573018719.db2.gz OUGWKJJAWCVAFQ-MNOVXSKESA-N 2 2 190.290 2.232 10 0 AEAELP Cc1ccc([C@@H](C)[C@H](C)C[NH3+])c[nH+]1 87938408 573018965 /nfs/dbraw/zinc/01/89/65/573018965.db2.gz ZGQNMQFCIJRREI-SCZZXKLOSA-N 2 2 178.279 2.088 10 0 AEAELP Cc1ccc(C(C)(C)CC[NH3+])c[nH+]1 87937332 573019474 /nfs/dbraw/zinc/01/94/74/573019474.db2.gz HYIFWUDDIWHOKO-UHFFFAOYSA-N 2 2 178.279 2.016 10 0 AEAELP Cc1cc[nH+]cc1[C@@H](C)[C@@H](C)C[NH3+] 87937664 573019571 /nfs/dbraw/zinc/01/95/71/573019571.db2.gz PIZTXRBRWPKTKA-UWVGGRQHSA-N 2 2 178.279 2.088 10 0 AEAELP Cc1ccc([C@H](C)[C@@H](C)C[NH3+])c[nH+]1 87938405 573019625 /nfs/dbraw/zinc/01/96/25/573019625.db2.gz ZGQNMQFCIJRREI-WCBMZHEXSA-N 2 2 178.279 2.088 10 0 AEAELP Cc1cc[nH+]cc1[C@@H](C)[C@H](C)C[NH3+] 87937668 573020149 /nfs/dbraw/zinc/02/01/49/573020149.db2.gz PIZTXRBRWPKTKA-ZJUUUORDSA-N 2 2 178.279 2.088 10 0 AEAELP CCC[N@H+](CC(C)C)[C@H]1CC[NH2+][C@H]1C 308484916 573020413 /nfs/dbraw/zinc/02/04/13/573020413.db2.gz NVBJIAJEJOKNQT-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@H]1CC[NH2+][C@H]1C 308484916 573020419 /nfs/dbraw/zinc/02/04/19/573020419.db2.gz NVBJIAJEJOKNQT-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP Cc1ccc([C@H](C)[C@H](C)C[NH3+])c[nH+]1 87938411 573020511 /nfs/dbraw/zinc/02/05/11/573020511.db2.gz ZGQNMQFCIJRREI-PSASIEDQSA-N 2 2 178.279 2.088 10 0 AEAELP C/C=C\C[N@@H+](CCC)C[C@@H]1CCC[NH2+]1 308484454 573020680 /nfs/dbraw/zinc/02/06/80/573020680.db2.gz LDNSKCVDYWNADV-FHMRSRPSSA-N 2 2 196.338 2.027 10 0 AEAELP C/C=C\C[N@H+](CCC)C[C@@H]1CCC[NH2+]1 308484454 573020685 /nfs/dbraw/zinc/02/06/85/573020685.db2.gz LDNSKCVDYWNADV-FHMRSRPSSA-N 2 2 196.338 2.027 10 0 AEAELP Cc1ccc([C@@H]2CCC[C@@H]2C[NH3+])c[nH+]1 87940029 573021574 /nfs/dbraw/zinc/02/15/74/573021574.db2.gz KAGTWCWCCQBGGW-ZYHUDNBSSA-N 2 2 190.290 2.232 10 0 AEAELP Cc1ccc([C@H]2CCC[C@@H]2C[NH3+])c[nH+]1 87940031 573021824 /nfs/dbraw/zinc/02/18/24/573021824.db2.gz KAGTWCWCCQBGGW-PWSUYJOCSA-N 2 2 190.290 2.232 10 0 AEAELP Cc1ccc([C@@H]2CCC[C@H]2C[NH3+])c[nH+]1 87940033 573022557 /nfs/dbraw/zinc/02/25/57/573022557.db2.gz KAGTWCWCCQBGGW-CMPLNLGQSA-N 2 2 190.290 2.232 10 0 AEAELP CCC[N@@H+](CC(C)C)[C@@H]1CC[NH2+][C@H]1C 308484915 573023539 /nfs/dbraw/zinc/02/35/39/573023539.db2.gz NVBJIAJEJOKNQT-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+](CC(C)C)[C@@H]1CC[NH2+][C@H]1C 308484915 573023536 /nfs/dbraw/zinc/02/35/36/573023536.db2.gz NVBJIAJEJOKNQT-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP C/C=C\C[N@@H+](CCC)C[C@H]1CCC[NH2+]1 308484455 573023734 /nfs/dbraw/zinc/02/37/34/573023734.db2.gz LDNSKCVDYWNADV-KTLBGCOUSA-N 2 2 196.338 2.027 10 0 AEAELP Cc1ccc([C@H]2CCC[C@H]2C[NH3+])c[nH+]1 87940034 573023923 /nfs/dbraw/zinc/02/39/23/573023923.db2.gz KAGTWCWCCQBGGW-JQWIXIFHSA-N 2 2 190.290 2.232 10 0 AEAELP CC(C)[C@H](C)[N@H+](C)C[C@@H]([NH3+])CC1CC1 308478890 573024541 /nfs/dbraw/zinc/02/45/41/573024541.db2.gz LYPGCERNJVGEKW-JQWIXIFHSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H](C)C1 308478357 573026383 /nfs/dbraw/zinc/02/63/83/573026383.db2.gz LULBDZFNYBDAII-SDDRHHMPSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[NH+]1CCC1 308477440 573025371 /nfs/dbraw/zinc/02/53/71/573025371.db2.gz FGOULGOROUEQAL-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP CCCC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)CC 42607066 573025817 /nfs/dbraw/zinc/02/58/17/573025817.db2.gz RTRMSCKLWLJZRN-MNOVXSKESA-N 2 2 186.343 2.234 10 0 AEAELP CCCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)CC 42607066 573025823 /nfs/dbraw/zinc/02/58/23/573025823.db2.gz RTRMSCKLWLJZRN-MNOVXSKESA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H](C)C1 308478357 573026376 /nfs/dbraw/zinc/02/63/76/573026376.db2.gz LULBDZFNYBDAII-SDDRHHMPSA-N 2 2 198.354 2.092 10 0 AEAELP C[NH2+]C[C@H]1CC[C@@H]1c1ccc(C)[nH+]c1 87954332 573026425 /nfs/dbraw/zinc/02/64/25/573026425.db2.gz PTTZQLVIXURJGS-PWSUYJOCSA-N 2 2 190.290 2.103 10 0 AEAELP CC(C)[C@@H](C)[N@H+](C)C[C@@H]([NH3+])CC1CC1 308478893 573026438 /nfs/dbraw/zinc/02/64/38/573026438.db2.gz LYPGCERNJVGEKW-PWSUYJOCSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]([NH3+])CC1CC1 308478893 573026443 /nfs/dbraw/zinc/02/64/43/573026443.db2.gz LYPGCERNJVGEKW-PWSUYJOCSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@H](C)[N@H+](C)C[C@H]([NH3+])CC1CC1 308478888 573026468 /nfs/dbraw/zinc/02/64/68/573026468.db2.gz LYPGCERNJVGEKW-CMPLNLGQSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@H](C)[N@@H+](C)C[C@H]([NH3+])CC1CC1 308478888 573026473 /nfs/dbraw/zinc/02/64/73/573026473.db2.gz LYPGCERNJVGEKW-CMPLNLGQSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H](C)C1 308478356 573026888 /nfs/dbraw/zinc/02/68/88/573026888.db2.gz LULBDZFNYBDAII-IJLUTSLNSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)[C@@H](C)[N@H+](C)C[C@H]([NH3+])CC1CC1 308478896 573026745 /nfs/dbraw/zinc/02/67/45/573026745.db2.gz LYPGCERNJVGEKW-ZYHUDNBSSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H](C)[N@@H+](C)C[C@H]([NH3+])CC1CC1 308478896 573026752 /nfs/dbraw/zinc/02/67/52/573026752.db2.gz LYPGCERNJVGEKW-ZYHUDNBSSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H](C)C1 308478356 573026883 /nfs/dbraw/zinc/02/68/83/573026883.db2.gz LULBDZFNYBDAII-IJLUTSLNSA-N 2 2 198.354 2.092 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439993 573027861 /nfs/dbraw/zinc/02/78/61/573027861.db2.gz FWLWRHLQLRWENE-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439993 573027869 /nfs/dbraw/zinc/02/78/69/573027869.db2.gz FWLWRHLQLRWENE-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[N@@H+]1CC[NH2+][C@@H](CC)CC1 49661542 573028347 /nfs/dbraw/zinc/02/83/47/573028347.db2.gz AIBYVTNIMOMCKQ-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[C@@H]([NH3+])c1c[nH+]c(C)n1C 308477170 573028356 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CWQFVUNZEBPQNX-FOGDFJRCSA-N 2 2 190.290 2.231 10 0 AEAELP C[NH2+][C@@H]1CC[C@H](c2c[nH+]ccc2C)C1 85442790 573030463 /nfs/dbraw/zinc/03/04/63/573030463.db2.gz AGZJMBQTUFOEGF-WDEREUQCSA-N 2 2 190.290 2.246 10 0 AEAELP Cc1cc[nH+]cc1[C@@H](C)C[C@@H](C)[NH3+] 85442895 573030533 /nfs/dbraw/zinc/03/05/33/573030533.db2.gz MHHYUGIHFJGSGW-VHSXEESVSA-N 2 2 178.279 2.231 10 0 AEAELP CCC(CC)[N@@H+]1CC[NH2+][C@H](CC)CC1 49661540 573030839 /nfs/dbraw/zinc/03/08/39/573030839.db2.gz AIBYVTNIMOMCKQ-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@H+]1CC[NH2+][C@H](CC)CC1 49661540 573030843 /nfs/dbraw/zinc/03/08/43/573030843.db2.gz AIBYVTNIMOMCKQ-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+][C@H]1CC[C@@H](c2c[nH+]ccc2C)C1 85442785 573030867 /nfs/dbraw/zinc/03/08/67/573030867.db2.gz AGZJMBQTUFOEGF-MNOVXSKESA-N 2 2 190.290 2.246 10 0 AEAELP Cc1cc[nH+]cc1[C@H](C)C[C@@H](C)[NH3+] 85442897 573031347 /nfs/dbraw/zinc/03/13/47/573031347.db2.gz MHHYUGIHFJGSGW-NXEZZACHSA-N 2 2 178.279 2.231 10 0 AEAELP 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CC(C)CC[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C 308489673 573074225 /nfs/dbraw/zinc/07/42/25/573074225.db2.gz BARCMARFWMIAOC-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CC[NH2+][C@H]1CCC[N@H+](C)[C@H]1C 308489674 573074774 /nfs/dbraw/zinc/07/47/74/573074774.db2.gz BARCMARFWMIAOC-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CC[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C 308489674 573074779 /nfs/dbraw/zinc/07/47/79/573074779.db2.gz BARCMARFWMIAOC-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CC[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C 308489675 573075198 /nfs/dbraw/zinc/07/51/98/573075198.db2.gz BARCMARFWMIAOC-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CC[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C 308489675 573075201 /nfs/dbraw/zinc/07/52/01/573075201.db2.gz BARCMARFWMIAOC-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(C)(CC)[NH2+]CCn1cc[nH+]c1 308489057 573075342 /nfs/dbraw/zinc/07/53/42/573075342.db2.gz AWSCDDQCWDSWBK-UHFFFAOYSA-N 2 2 195.310 2.051 10 0 AEAELP CC(C)(C)CC1CC[NH+](CC[NH3+])CC1 259035317 573075679 /nfs/dbraw/zinc/07/56/79/573075679.db2.gz CAMKITRZYXYJLA-UHFFFAOYSA-N 2 2 198.354 2.093 10 0 AEAELP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@H](C)CC1 82491007 573076603 /nfs/dbraw/zinc/07/66/03/573076603.db2.gz JSVAUVBVOLRYNM-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C(C)(C)C[N@H+]1CCC[C@H](C)CC1 82491007 573076608 /nfs/dbraw/zinc/07/66/08/573076608.db2.gz JSVAUVBVOLRYNM-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C(C)(C)C[N@@H+]1CCC[C@@H](C)CC1 82491006 573077804 /nfs/dbraw/zinc/07/78/04/573077804.db2.gz JSVAUVBVOLRYNM-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C(C)(C)C[N@H+]1CCC[C@@H](C)CC1 82491006 573077809 /nfs/dbraw/zinc/07/78/09/573077809.db2.gz JSVAUVBVOLRYNM-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)[N@@H+]1C[C@@H]([NH2+]C)CCC1(C)C 259323849 573078442 /nfs/dbraw/zinc/07/84/42/573078442.db2.gz INISUHVQHPJEHP-MNOVXSKESA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](C)[N@H+]1C[C@@H]([NH2+]C)CCC1(C)C 259323849 573078446 /nfs/dbraw/zinc/07/84/46/573078446.db2.gz INISUHVQHPJEHP-MNOVXSKESA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](C)[N@@H+](CC)C[C@H]([NH3+])CC1CC1 308491710 573078769 /nfs/dbraw/zinc/07/87/69/573078769.db2.gz RDFUSBWLFFWRFD-ZYHUDNBSSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H](C)[N@H+](CC)C[C@H]([NH3+])CC1CC1 308491710 573078765 /nfs/dbraw/zinc/07/87/65/573078765.db2.gz RDFUSBWLFFWRFD-ZYHUDNBSSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C[N@@H+]1CCC[C@H](C)CC1)[NH2+]C 82495147 573078822 /nfs/dbraw/zinc/07/88/22/573078822.db2.gz ZACIOQFOWHLUDT-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C[N@H+]1CCC[C@H](C)CC1)[NH2+]C 82495147 573078831 /nfs/dbraw/zinc/07/88/31/573078831.db2.gz ZACIOQFOWHLUDT-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C)CC1 82491000 573080552 /nfs/dbraw/zinc/08/05/52/573080552.db2.gz KVDDDIQEPUGKSH-NEPJUHHUSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C)CC1 82491000 573080560 /nfs/dbraw/zinc/08/05/60/573080560.db2.gz KVDDDIQEPUGKSH-NEPJUHHUSA-N 2 2 198.354 2.092 10 0 AEAELP CC[C@H](C)[N@@H+]1C[C@@H]([NH2+]C)CCC1(C)C 259323852 573081089 /nfs/dbraw/zinc/08/10/89/573081089.db2.gz INISUHVQHPJEHP-QWRGUYRKSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C)[N@H+](CC)C[C@H]([NH3+])CC1CC1 308491707 573081512 /nfs/dbraw/zinc/08/15/12/573081512.db2.gz RDFUSBWLFFWRFD-CMPLNLGQSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[N@@H+](CC)C[C@H]([NH3+])CC1CC1 308491707 573081514 /nfs/dbraw/zinc/08/15/14/573081514.db2.gz RDFUSBWLFFWRFD-CMPLNLGQSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C)CC1 82491002 573081515 /nfs/dbraw/zinc/08/15/15/573081515.db2.gz KVDDDIQEPUGKSH-RYUDHWBXSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCC[C@H](C)CC1 82491002 573081520 /nfs/dbraw/zinc/08/15/20/573081520.db2.gz KVDDDIQEPUGKSH-RYUDHWBXSA-N 2 2 198.354 2.092 10 0 AEAELP CC[C@H](C)[N@H+](CC)C[C@@H]([NH3+])CC1CC1 308491708 573081591 /nfs/dbraw/zinc/08/15/91/573081591.db2.gz RDFUSBWLFFWRFD-JQWIXIFHSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[N@@H+](CC)C[C@@H]([NH3+])CC1CC1 308491708 573081596 /nfs/dbraw/zinc/08/15/96/573081596.db2.gz RDFUSBWLFFWRFD-JQWIXIFHSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H](C)[N@@H+]1C[C@H]([NH2+]C)CCC1(C)C 259323855 573082189 /nfs/dbraw/zinc/08/21/89/573082189.db2.gz INISUHVQHPJEHP-WDEREUQCSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C)[N@H+]1C[C@H]([NH2+]C)CCC1(C)C 259323855 573082194 /nfs/dbraw/zinc/08/21/94/573082194.db2.gz INISUHVQHPJEHP-WDEREUQCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@@H](C)[C@@H]([NH3+])c1c[nH+]c(C)n1C 308497073 573082863 /nfs/dbraw/zinc/08/28/63/573082863.db2.gz TYMPWBBEMOWPRI-LDYMZIIASA-N 2 2 195.310 2.165 10 0 AEAELP CC[C@@H](C)[C@@H](C)[N@H+](C)[C@@H]1CCC[NH2+]C1 82499197 573082982 /nfs/dbraw/zinc/08/29/82/573082982.db2.gz FYIMOBIAJIIISH-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[C@@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499197 573082986 /nfs/dbraw/zinc/08/29/86/573082986.db2.gz FYIMOBIAJIIISH-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)C[C@@H]([NH3+])c1c[nH+]c(C)n1C 308497665 573084740 /nfs/dbraw/zinc/08/47/40/573084740.db2.gz UKZZBNRJLNZHFC-WCBMZHEXSA-N 2 2 195.310 2.165 10 0 AEAELP CC[C@@H](C)[N@@H+]1C[C@H]([NH2+]C)CCC1(C)C 259323846 573084257 /nfs/dbraw/zinc/08/42/57/573084257.db2.gz INISUHVQHPJEHP-GHMZBOCLSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](C)[N@H+]1C[C@H]([NH2+]C)CCC1(C)C 259323846 573084266 /nfs/dbraw/zinc/08/42/66/573084266.db2.gz INISUHVQHPJEHP-GHMZBOCLSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H](C)[C@@H]([NH3+])c1c[nH+]c(C)n1C 308497069 573084396 /nfs/dbraw/zinc/08/43/96/573084396.db2.gz TYMPWBBEMOWPRI-GZMMTYOYSA-N 2 2 195.310 2.165 10 0 AEAELP C/C=C\C[N@H+](C[C@@H]1CCC[NH2+]1)C(C)C 308497480 573085301 /nfs/dbraw/zinc/08/53/01/573085301.db2.gz XOZPBGLVEYRRLQ-RXNFCKPNSA-N 2 2 196.338 2.025 10 0 AEAELP CCC[C@@H](C)[C@H]([NH3+])c1c[nH+]c(C)n1C 308497070 573085225 /nfs/dbraw/zinc/08/52/25/573085225.db2.gz TYMPWBBEMOWPRI-KCJUWKMLSA-N 2 2 195.310 2.165 10 0 AEAELP C/C=C\C[N@@H+](C[C@@H]1CCC[NH2+]1)C(C)C 308497480 573085306 /nfs/dbraw/zinc/08/53/06/573085306.db2.gz XOZPBGLVEYRRLQ-RXNFCKPNSA-N 2 2 196.338 2.025 10 0 AEAELP CCC[C@H](C)[C@H]([NH3+])c1c[nH+]c(C)n1C 308497071 573087284 /nfs/dbraw/zinc/08/72/84/573087284.db2.gz TYMPWBBEMOWPRI-KWQFWETISA-N 2 2 195.310 2.165 10 0 AEAELP CC[N@H+](CC(C)C)C[C@H]([NH3+])CC1CC1 308501949 573095611 /nfs/dbraw/zinc/09/56/11/573095611.db2.gz WZRGWBSAFDETEN-GFCCVEGCSA-N 2 2 198.354 2.092 10 0 AEAELP CC[N@@H+](CC(C)C)C[C@H]([NH3+])CC1CC1 308501949 573095617 /nfs/dbraw/zinc/09/56/17/573095617.db2.gz WZRGWBSAFDETEN-GFCCVEGCSA-N 2 2 198.354 2.092 10 0 AEAELP CCC1(CC)C[NH2+][C@@H]2CCCC[C@@H]2[NH2+]1 114596479 573096557 /nfs/dbraw/zinc/09/65/57/573096557.db2.gz LUYINHXADYQQNX-MNOVXSKESA-N 2 2 196.338 2.049 10 0 AEAELP Cc1ccc([N@H+](C)CCCC[NH3+])cc1 49806962 573096907 /nfs/dbraw/zinc/09/69/07/573096907.db2.gz BPPHXXJOPJZLJG-UHFFFAOYSA-N 2 2 192.306 2.170 10 0 AEAELP Cc1ccc([N@@H+](C)CCCC[NH3+])cc1 49806962 573096911 /nfs/dbraw/zinc/09/69/11/573096911.db2.gz BPPHXXJOPJZLJG-UHFFFAOYSA-N 2 2 192.306 2.170 10 0 AEAELP CCC1(CC)C[NH2+][C@@H]2CCCC[C@H]2[NH2+]1 114596474 573097812 /nfs/dbraw/zinc/09/78/12/573097812.db2.gz LUYINHXADYQQNX-GHMZBOCLSA-N 2 2 196.338 2.049 10 0 AEAELP CCC1(CC)C[NH2+][C@H]2CCCC[C@@H]2[NH2+]1 114596477 573097920 /nfs/dbraw/zinc/09/79/20/573097920.db2.gz LUYINHXADYQQNX-QWRGUYRKSA-N 2 2 196.338 2.049 10 0 AEAELP CCC1(CC)C[NH2+][C@H]2CCCC[C@H]2[NH2+]1 114596482 573099388 /nfs/dbraw/zinc/09/93/88/573099388.db2.gz LUYINHXADYQQNX-WDEREUQCSA-N 2 2 196.338 2.049 10 0 AEAELP CCC[C@@H]1[NH2+][C@H](C)CC(C)(C)[N@@H+]1C 238278246 573100465 /nfs/dbraw/zinc/10/04/65/573100465.db2.gz IQDALTRLOGNDNZ-NXEZZACHSA-N 2 2 184.327 2.205 10 0 AEAELP CC[N@H+](CC(C)C)C[C@@H]([NH3+])CC1CC1 308501950 573099889 /nfs/dbraw/zinc/09/98/89/573099889.db2.gz WZRGWBSAFDETEN-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP CC[N@@H+](CC(C)C)C[C@@H]([NH3+])CC1CC1 308501950 573099896 /nfs/dbraw/zinc/09/98/96/573099896.db2.gz WZRGWBSAFDETEN-LBPRGKRZSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@@H]1[NH2+][C@H](C)CC(C)(C)[N@H+]1C 238278246 573100471 /nfs/dbraw/zinc/10/04/71/573100471.db2.gz IQDALTRLOGNDNZ-NXEZZACHSA-N 2 2 184.327 2.205 10 0 AEAELP CCC[C@@H]1[NH2+][C@@H](C)CC(C)(C)[N@@H+]1C 238277978 573102092 /nfs/dbraw/zinc/10/20/92/573102092.db2.gz IQDALTRLOGNDNZ-VHSXEESVSA-N 2 2 184.327 2.205 10 0 AEAELP CCC[C@@H]1[NH2+][C@@H](C)CC(C)(C)[N@H+]1C 238277978 573102112 /nfs/dbraw/zinc/10/21/12/573102112.db2.gz IQDALTRLOGNDNZ-VHSXEESVSA-N 2 2 184.327 2.205 10 0 AEAELP CCCc1[nH+]c([C@H](CC)C[NH3+])[nH]c1C 258528897 573107095 /nfs/dbraw/zinc/10/70/95/573107095.db2.gz IBGJCWOTJSUQCI-SECBINFHSA-N 2 2 195.310 2.123 10 0 AEAELP CCCc1[nH]c([C@H](CC)C[NH3+])[nH+]c1C 258528897 573107100 /nfs/dbraw/zinc/10/71/00/573107100.db2.gz IBGJCWOTJSUQCI-SECBINFHSA-N 2 2 195.310 2.123 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H](C)C1 131904071 573111813 /nfs/dbraw/zinc/11/18/13/573111813.db2.gz LULBDZFNYBDAII-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CCC[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H](C)C1 131904071 573111816 /nfs/dbraw/zinc/11/18/16/573111816.db2.gz LULBDZFNYBDAII-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)([NH3+])[C@@H]([NH3+])c1ccc(Cl)cc1 259331352 573116799 /nfs/dbraw/zinc/11/67/99/573116799.db2.gz LFCAKMCYJAWHER-VIFPVBQESA-N 2 2 198.697 2.077 10 0 AEAELP CC(C)([NH3+])[C@H]([NH3+])c1ccc(Cl)cc1 259331348 573117445 /nfs/dbraw/zinc/11/74/45/573117445.db2.gz LFCAKMCYJAWHER-SECBINFHSA-N 2 2 198.697 2.077 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](C)[C@@H]1CCCC[C@@H]1C 42611113 573123536 /nfs/dbraw/zinc/12/35/36/573123536.db2.gz LWLVAHACTSUELT-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42611113 573123546 /nfs/dbraw/zinc/12/35/46/573123546.db2.gz LWLVAHACTSUELT-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCC[C@@H]1C 42611114 573124222 /nfs/dbraw/zinc/12/42/22/573124222.db2.gz LWLVAHACTSUELT-QJPTWQEYSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCC[C@@H]1C 42611114 573124227 /nfs/dbraw/zinc/12/42/27/573124227.db2.gz LWLVAHACTSUELT-QJPTWQEYSA-N 2 2 198.354 2.234 10 0 AEAELP CC[NH2+][C@@H](C)C(CC)(CC)[NH+](C)C 85750913 573132797 /nfs/dbraw/zinc/13/27/97/573132797.db2.gz HQSAOWLXPUYDRX-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC(C)[C@H]([NH3+])C1([NH+](C)C)CCCCC1 85753108 573132835 /nfs/dbraw/zinc/13/28/35/573132835.db2.gz DLYOPIHMWWTLOI-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@@H](C)C1([NH+]2CCCC2)CCCC1 85752574 573133351 /nfs/dbraw/zinc/13/33/51/573133351.db2.gz IRMBFKWLGKUUEB-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP C[C@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 85752693 573133364 /nfs/dbraw/zinc/13/33/64/573133364.db2.gz ZCOWUSFQRKINGC-NSHDSACASA-N 2 2 196.338 2.132 10 0 AEAELP C[C@@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 85752695 573133494 /nfs/dbraw/zinc/13/34/94/573133494.db2.gz ZCOWUSFQRKINGC-LLVKDONJSA-N 2 2 196.338 2.132 10 0 AEAELP CCC(CC)C[N@@H+]1CC[NH2+]CC[C@H]1C 128784439 573134160 /nfs/dbraw/zinc/13/41/60/573134160.db2.gz XBMGUFMBQGOLLU-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[N@H+]1CC[NH2+]CC[C@H]1C 128784439 573134169 /nfs/dbraw/zinc/13/41/69/573134169.db2.gz XBMGUFMBQGOLLU-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@H](C)C(C)(C)[NH+]1CCCCCC1 85742880 573134305 /nfs/dbraw/zinc/13/43/05/573134305.db2.gz MLVIZXGUMMQVFM-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+][C@H](C)C1([NH+](C)C)CCC(C)CC1 85753440 573134516 /nfs/dbraw/zinc/13/45/16/573134516.db2.gz IEAMHYVLHKEAAH-MOENNCHZSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH2+]C)C(C)(C)[NH+](CC)CC 85739259 573134549 /nfs/dbraw/zinc/13/45/49/573134549.db2.gz RSPFTAPXZYEZTP-JTQLQIEISA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H]([NH3+])[C@]1([NH+](C)C)CCC[C@H](C)C1 85753752 573134671 /nfs/dbraw/zinc/13/46/71/573134671.db2.gz XDEGZQQNFVGTOE-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)([C@H]([NH3+])C(C)C)[NH+](C)C 85750682 573134726 /nfs/dbraw/zinc/13/47/26/573134726.db2.gz AOPHOOCPSGWHTF-SNVBAGLBSA-N 2 2 186.343 2.090 10 0 AEAELP CC[NH+](CC)C1([C@@H](C)[NH2+]C)CCCC1 85752361 573135655 /nfs/dbraw/zinc/13/56/55/573135655.db2.gz NBCMSQUHPXCMOB-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH3+])[C@@]1([NH+](C)C)CCC[C@H](C)C1 85753756 573135282 /nfs/dbraw/zinc/13/52/82/573135282.db2.gz XDEGZQQNFVGTOE-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@H](C)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 85753913 573135429 /nfs/dbraw/zinc/13/54/29/573135429.db2.gz HLLKFAXADOIOBY-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@@H]([NH3+])C1([NH+](C)C)CCCCC1 85753110 573135818 /nfs/dbraw/zinc/13/58/18/573135818.db2.gz DLYOPIHMWWTLOI-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)C[N@@H+]1CCC[NH2+][C@@H](C)C1 128781392 573135891 /nfs/dbraw/zinc/13/58/91/573135891.db2.gz JPKVOFGZLSPRLJ-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[N@H+]1CCC[NH2+][C@@H](C)C1 128781392 573135894 /nfs/dbraw/zinc/13/58/94/573135894.db2.gz JPKVOFGZLSPRLJ-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@@H](C)C(C)(C)[NH+]1CCCCCC1 85742877 573135947 /nfs/dbraw/zinc/13/59/47/573135947.db2.gz MLVIZXGUMMQVFM-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)[C@H]([NH3+])C(C)(C)[NH+]1CCCCC1 85741447 573136143 /nfs/dbraw/zinc/13/61/43/573136143.db2.gz UANDIQMMNADJIC-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@H](C)[C@@]1([NH+](C)C)CCC[C@H](C)C1 85753915 573136224 /nfs/dbraw/zinc/13/62/24/573136224.db2.gz HLLKFAXADOIOBY-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)C[N@@H+]1CCC[NH2+][C@H](C)C1 128781173 573136260 /nfs/dbraw/zinc/13/62/60/573136260.db2.gz JPKVOFGZLSPRLJ-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[N@H+]1CCC[NH2+][C@H](C)C1 128781173 573136265 /nfs/dbraw/zinc/13/62/65/573136265.db2.gz JPKVOFGZLSPRLJ-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@H](C)[C@]1([NH+](C)C)CCC[C@H](C)C1 85753919 573136787 /nfs/dbraw/zinc/13/67/87/573136787.db2.gz HLLKFAXADOIOBY-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)C[N@@H+]1CC[NH2+]CC[C@@H]1C 128784196 573137122 /nfs/dbraw/zinc/13/71/22/573137122.db2.gz XBMGUFMBQGOLLU-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[N@H+]1CC[NH2+]CC[C@@H]1C 128784196 573137126 /nfs/dbraw/zinc/13/71/26/573137126.db2.gz XBMGUFMBQGOLLU-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)[C@@H]([NH3+])C(C)(C)[NH+]1CCCCC1 85741451 573137219 /nfs/dbraw/zinc/13/72/19/573137219.db2.gz UANDIQMMNADJIC-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@H](C)[C@]1([NH+](C)C)CCC[C@@H](C)C1 85753918 573138013 /nfs/dbraw/zinc/13/80/13/573138013.db2.gz HLLKFAXADOIOBY-UTUOFQBUSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H](C)C1([NH+]2CCCC2)CCCC1 85752575 573138307 /nfs/dbraw/zinc/13/83/07/573138307.db2.gz IRMBFKWLGKUUEB-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[NH2+][C@@H](C)C1([NH+](C)C)CCCCCC1 85754195 573138470 /nfs/dbraw/zinc/13/84/70/573138470.db2.gz KRXFHAYVJHMSEM-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH3+])C(CC)(CC)[NH+]1CCCC1 85751327 573138603 /nfs/dbraw/zinc/13/86/03/573138603.db2.gz SIGVOJDLMHCIMG-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CC[NH+](CC)C(C)(C)[C@H]([NH3+])C(C)C 85739196 573138650 /nfs/dbraw/zinc/13/86/50/573138650.db2.gz OMHQKJSUYVHQNU-SNVBAGLBSA-N 2 2 186.343 2.090 10 0 AEAELP Cc1[nH+]cc([C@H]([NH3+])CCC(C)C)n1C 308503456 573141609 /nfs/dbraw/zinc/14/16/09/573141609.db2.gz XSKRCTHIGHLCLE-SNVBAGLBSA-N 2 2 195.310 2.165 10 0 AEAELP C[NH2+][C@@H](C)c1c[nH+]c(CCC(C)C)[nH]1 308507962 573145731 /nfs/dbraw/zinc/14/57/31/573145731.db2.gz ARARMTHYJGCIKZ-VIFPVBQESA-N 2 2 195.310 2.279 10 0 AEAELP CCC(CC)[N@H+](C)C[C@@H]([NH3+])CC1CC1 308502721 573145967 /nfs/dbraw/zinc/14/59/67/573145967.db2.gz XGIASEUQRGUWRU-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@@H]([NH3+])CC1CC1 308502721 573145976 /nfs/dbraw/zinc/14/59/76/573145976.db2.gz XGIASEUQRGUWRU-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP Cc1[nH+]cc([C@@H]([NH3+])CCC(C)C)n1C 308503455 573147120 /nfs/dbraw/zinc/14/71/20/573147120.db2.gz XSKRCTHIGHLCLE-JTQLQIEISA-N 2 2 195.310 2.165 10 0 AEAELP CC(C)[C@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220552 573147365 /nfs/dbraw/zinc/14/73/65/573147365.db2.gz ISYADXGFBDLDMZ-JTQLQIEISA-N 2 2 189.262 2.219 10 0 AEAELP CC(C)c1[nH]c[nH+]c1C1CC[NH2+]CC1 258552455 573147908 /nfs/dbraw/zinc/14/79/08/573147908.db2.gz JFVLKQSZVGBEJQ-UHFFFAOYSA-N 2 2 193.294 2.000 10 0 AEAELP CCCCC[C@@H](C[NH+](C)C)[NH2+]CC 85799502 573148077 /nfs/dbraw/zinc/14/80/77/573148077.db2.gz LXGCFDAXTLLMMT-NSHDSACASA-N 2 2 186.343 2.106 10 0 AEAELP CCC[C@@H]([NH2+]CC)c1c[nH+]c(C)n1C 308504998 573148566 /nfs/dbraw/zinc/14/85/66/573148566.db2.gz YKVOISQUFQGPKJ-SNVBAGLBSA-N 2 2 195.310 2.179 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+]1C[C@@H](CC)CC[C@@H]1C 308504242 573148908 /nfs/dbraw/zinc/14/89/08/573148908.db2.gz XYIBJVIOCHTYNR-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@H+]1C[C@@H](CC)CC[C@@H]1C 308504242 573148915 /nfs/dbraw/zinc/14/89/15/573148915.db2.gz XYIBJVIOCHTYNR-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+]1C[C@H](CC)CC[C@@H]1C 308504243 573149541 /nfs/dbraw/zinc/14/95/41/573149541.db2.gz XYIBJVIOCHTYNR-TUAOUCFPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@H+]1C[C@H](CC)CC[C@@H]1C 308504243 573149545 /nfs/dbraw/zinc/14/95/45/573149545.db2.gz XYIBJVIOCHTYNR-TUAOUCFPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+]1C[C@@H](CC)CC[C@H]1C 308504245 573149380 /nfs/dbraw/zinc/14/93/80/573149380.db2.gz XYIBJVIOCHTYNR-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])C[N@H+]1C[C@@H](CC)CC[C@H]1C 308504245 573149385 /nfs/dbraw/zinc/14/93/85/573149385.db2.gz XYIBJVIOCHTYNR-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220565 573149591 /nfs/dbraw/zinc/14/95/91/573149591.db2.gz VXTSATDLSSBMKL-SECBINFHSA-N 2 2 189.262 2.363 10 0 AEAELP CC[C@H]1CC[C@@H](C)[N@H+](C[C@H]([NH3+])CC)C1 308504238 573149822 /nfs/dbraw/zinc/14/98/22/573149822.db2.gz XYIBJVIOCHTYNR-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]1CC[C@@H](C)[N@@H+](C[C@H]([NH3+])CC)C1 308504238 573149829 /nfs/dbraw/zinc/14/98/29/573149829.db2.gz XYIBJVIOCHTYNR-GRYCIOLGSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220555 573150354 /nfs/dbraw/zinc/15/03/54/573150354.db2.gz ISYADXGFBDLDMZ-SNVBAGLBSA-N 2 2 189.262 2.219 10 0 AEAELP CCC[C@@H]([NH3+])C[N@@H+]1[C@H](C)CC[C@H]1CC 308505049 573150702 /nfs/dbraw/zinc/15/07/02/573150702.db2.gz YMKZAFUZLFXVMW-IJLUTSLNSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@@H]([NH3+])C[N@H+]1[C@H](C)CC[C@H]1CC 308505049 573150708 /nfs/dbraw/zinc/15/07/08/573150708.db2.gz YMKZAFUZLFXVMW-IJLUTSLNSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@H]1CC[C@H](C)[N@H+](C[C@H]([NH3+])CC)C1 308504241 573151340 /nfs/dbraw/zinc/15/13/40/573151340.db2.gz XYIBJVIOCHTYNR-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]1CC[C@H](C)[N@@H+](C[C@H]([NH3+])CC)C1 308504241 573151343 /nfs/dbraw/zinc/15/13/43/573151343.db2.gz XYIBJVIOCHTYNR-SDDRHHMPSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H]([NH2+]CC)c1c[nH+]c(C)n1C 308504997 573151384 /nfs/dbraw/zinc/15/13/84/573151384.db2.gz YKVOISQUFQGPKJ-JTQLQIEISA-N 2 2 195.310 2.179 10 0 AEAELP CC(C)CC[N@@H+]1CC[NH2+]C(C)(C)CC1 259348440 573154604 /nfs/dbraw/zinc/15/46/04/573154604.db2.gz SVBVITJQTDDLQC-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[N@H+]1CC[NH2+]C(C)(C)CC1 259348440 573154609 /nfs/dbraw/zinc/15/46/09/573154609.db2.gz SVBVITJQTDDLQC-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)=CCC[NH2+]Cc1c[nH+]c(C)[nH]1 308511010 573160666 /nfs/dbraw/zinc/16/06/66/573160666.db2.gz KXYNMGUUAVLOTP-UHFFFAOYSA-N 2 2 193.294 2.164 10 0 AEAELP CC[C@H](C[NH2+]C(C)(C)C)[NH+]1CC=CC1 308513445 573165336 /nfs/dbraw/zinc/16/53/36/573165336.db2.gz LNRZGVBOQNYIFB-LLVKDONJSA-N 2 2 196.338 2.025 10 0 AEAELP Cc1cc(-c2c[nH+]ccc2N)cc(C)[nH+]1 308786157 573165465 /nfs/dbraw/zinc/16/54/65/573165465.db2.gz GCWPSJJPGKENGS-UHFFFAOYSA-N 2 2 199.257 2.343 10 0 AEAELP C[C@H]([NH3+])c1c[nH+]c(CCC(C)(C)C)[nH]1 308511543 573165726 /nfs/dbraw/zinc/16/57/26/573165726.db2.gz CJIADBSCMXHLDF-QMMMGPOBSA-N 2 2 195.310 2.408 10 0 AEAELP C[C@@H]([NH3+])c1c[nH+]c(CCC(C)(C)C)[nH]1 308511541 573165926 /nfs/dbraw/zinc/16/59/26/573165926.db2.gz CJIADBSCMXHLDF-MRVPVSSYSA-N 2 2 195.310 2.408 10 0 AEAELP CC[NH2+][C@H](C)c1c[nH+]c(C2CCC2)[nH]1 308511989 573166093 /nfs/dbraw/zinc/16/60/93/573166093.db2.gz CMPHBJUJHRDSQG-MRVPVSSYSA-N 2 2 193.294 2.348 10 0 AEAELP CC[NH2+][C@@H](C)c1c[nH+]c(C2CCC2)[nH]1 308511990 573167153 /nfs/dbraw/zinc/16/71/53/573167153.db2.gz CMPHBJUJHRDSQG-QMMMGPOBSA-N 2 2 193.294 2.348 10 0 AEAELP CCC[NH2+]C[C@@H](CCC)[NH+]1CC=CC1 308511402 573167216 /nfs/dbraw/zinc/16/72/16/573167216.db2.gz JXICDRVYXNQKPG-GFCCVEGCSA-N 2 2 196.338 2.027 10 0 AEAELP CC[C@@H](C[NH2+]C(C)(C)C)[NH+]1CC=CC1 308513446 573168863 /nfs/dbraw/zinc/16/88/63/573168863.db2.gz LNRZGVBOQNYIFB-NSHDSACASA-N 2 2 196.338 2.025 10 0 AEAELP Cc1ccc(C(C)C)cc1[C@H]([NH3+])C[NH3+] 104675522 573169743 /nfs/dbraw/zinc/16/97/43/573169743.db2.gz DRBGWLHMNCRQLT-GFCCVEGCSA-N 2 2 192.306 2.077 10 0 AEAELP Cc1ccc(C(C)C)cc1[C@@H]([NH3+])C[NH3+] 104676305 573169846 /nfs/dbraw/zinc/16/98/46/573169846.db2.gz DRBGWLHMNCRQLT-LBPRGKRZSA-N 2 2 192.306 2.077 10 0 AEAELP CC[C@](C)([C@@H](C)[NH2+]C)[N@H+](C)CC1CC1 308508554 573170228 /nfs/dbraw/zinc/17/02/28/573170228.db2.gz AXLRDSFVXKOCQG-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@](C)([C@@H](C)[NH2+]C)[N@@H+](C)CC1CC1 308508554 573170232 /nfs/dbraw/zinc/17/02/32/573170232.db2.gz AXLRDSFVXKOCQG-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1CCC[N@@H+]1[C@](C)(CC)[C@@H](C)[NH3+] 308508621 573173051 /nfs/dbraw/zinc/17/30/51/573173051.db2.gz BADNRLLUKZAORN-IJLUTSLNSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@H]1CCC[N@H+]1[C@](C)(CC)[C@@H](C)[NH3+] 308508621 573173057 /nfs/dbraw/zinc/17/30/57/573173057.db2.gz BADNRLLUKZAORN-IJLUTSLNSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@](C)([C@H](C)[NH2+]C)[N@H+](C)CC1CC1 308508551 573173635 /nfs/dbraw/zinc/17/36/35/573173635.db2.gz AXLRDSFVXKOCQG-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@](C)([C@H](C)[NH2+]C)[N@@H+](C)CC1CC1 308508551 573173640 /nfs/dbraw/zinc/17/36/40/573173640.db2.gz AXLRDSFVXKOCQG-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]1CCC[N@@H+]1[C@@](C)(CC)[C@@H](C)[NH3+] 308508624 573173887 /nfs/dbraw/zinc/17/38/87/573173887.db2.gz BADNRLLUKZAORN-UTUOFQBUSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@H]1CCC[N@H+]1[C@@](C)(CC)[C@@H](C)[NH3+] 308508624 573173893 /nfs/dbraw/zinc/17/38/93/573173893.db2.gz BADNRLLUKZAORN-UTUOFQBUSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH2+]C)[N@H+](C)CC1CC1 308508553 573174271 /nfs/dbraw/zinc/17/42/71/573174271.db2.gz AXLRDSFVXKOCQG-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH2+]C)[N@@H+](C)CC1CC1 308508553 573174279 /nfs/dbraw/zinc/17/42/79/573174279.db2.gz AXLRDSFVXKOCQG-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+](C1CC1)[C@@](C)(CC)[C@@H](C)[NH2+]C 308510479 573176104 /nfs/dbraw/zinc/17/61/04/573176104.db2.gz BSZIEXWASPIBRC-PWSUYJOCSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@@H+](C1CC1)[C@@](C)(CC)[C@@H](C)[NH2+]C 308510479 573176112 /nfs/dbraw/zinc/17/61/12/573176112.db2.gz BSZIEXWASPIBRC-PWSUYJOCSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](C1CC1)[C@](C)(CC)[C@@H](C)[NH2+]C 308510482 573176515 /nfs/dbraw/zinc/17/65/15/573176515.db2.gz BSZIEXWASPIBRC-ZYHUDNBSSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@@H+](C1CC1)[C@](C)(CC)[C@@H](C)[NH2+]C 308510482 573176521 /nfs/dbraw/zinc/17/65/21/573176521.db2.gz BSZIEXWASPIBRC-ZYHUDNBSSA-N 2 2 198.354 2.247 10 0 AEAELP C/C(=C/CC[NH3+])c1c[nH+]c(C)c(C)c1 308514312 573186111 /nfs/dbraw/zinc/18/61/11/573186111.db2.gz UGWGMVVEOHPNFQ-UITAMQMPSA-N 2 2 190.290 2.451 10 0 AEAELP CCn1c[nH+]c([C@H](C)C[C@H](C)[NH2+]C)c1 308516406 573192510 /nfs/dbraw/zinc/19/25/10/573192510.db2.gz FIQMVQXTPWTJBD-ZJUUUORDSA-N 2 2 195.310 2.005 10 0 AEAELP CCn1c[nH+]c([C@@H](C)C[C@@H](C)[NH2+]C)c1 308516405 573192353 /nfs/dbraw/zinc/19/23/53/573192353.db2.gz FIQMVQXTPWTJBD-VHSXEESVSA-N 2 2 195.310 2.005 10 0 AEAELP CCn1c[nH+]c([C@@H](C)C[C@H](C)[NH2+]C)c1 308516404 573194880 /nfs/dbraw/zinc/19/48/80/573194880.db2.gz FIQMVQXTPWTJBD-UWVGGRQHSA-N 2 2 195.310 2.005 10 0 AEAELP C[C@@H]1CC[N@@H+](C2(C)CCCC2)CC[NH2+]1 82785662 573195004 /nfs/dbraw/zinc/19/50/04/573195004.db2.gz HYPQNNZJKKHCSW-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[C@@H]1CC[N@H+](C2(C)CCCC2)CC[NH2+]1 82785662 573195010 /nfs/dbraw/zinc/19/50/10/573195010.db2.gz HYPQNNZJKKHCSW-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@@H+]1CCCC[C@H]1C1([NH3+])CCCC1 257966904 573197558 /nfs/dbraw/zinc/19/75/58/573197558.db2.gz JVKVZMHCNSAEKG-NSHDSACASA-N 2 2 196.338 2.132 10 0 AEAELP CC[N@H+]1CCCC[C@H]1C1([NH3+])CCCC1 257966904 573197563 /nfs/dbraw/zinc/19/75/63/573197563.db2.gz JVKVZMHCNSAEKG-NSHDSACASA-N 2 2 196.338 2.132 10 0 AEAELP Cc1ccc([C@H](C)C[C@H](C)[NH3+])c[nH+]1 82807969 573204049 /nfs/dbraw/zinc/20/40/49/573204049.db2.gz CMQBBUNSVIZQIF-BDAKNGLRSA-N 2 2 178.279 2.231 10 0 AEAELP Cc1ccc([C@@H](C)C[C@@H](C)[NH3+])c[nH+]1 82807963 573206271 /nfs/dbraw/zinc/20/62/71/573206271.db2.gz CMQBBUNSVIZQIF-DTWKUNHWSA-N 2 2 178.279 2.231 10 0 AEAELP CCC[C@H](CC)[N@H+](CC)[C@@H]1CC[NH2+]C1 233341775 573207611 /nfs/dbraw/zinc/20/76/11/573207611.db2.gz IDWKEDBIKIWRHF-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[N@@H+](CC)[C@@H]1CC[NH2+]C1 233341775 573207618 /nfs/dbraw/zinc/20/76/18/573207618.db2.gz IDWKEDBIKIWRHF-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP Cc1ccc(C(C)(C)C[C@H](C)[NH3+])c[nH+]1 82816365 573210648 /nfs/dbraw/zinc/21/06/48/573210648.db2.gz GEHMGNCMPDBCEX-VIFPVBQESA-N 2 2 192.306 2.405 10 0 AEAELP CC[NH+](CC)[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82829520 573214679 /nfs/dbraw/zinc/21/46/79/573214679.db2.gz FRCLNPIMQVZTCD-WHOHXGKFSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[N@H+](C)[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1[NH3+] 82829554 573215905 /nfs/dbraw/zinc/21/59/05/573215905.db2.gz PCOUXINTMWNQCH-KXNHARMFSA-N 2 2 198.354 2.089 10 0 AEAELP CC(C)[N@@H+](C)[C@H]1[C@@H](C)C[C@@H](C)C[C@H]1[NH3+] 82829554 573215912 /nfs/dbraw/zinc/21/59/12/573215912.db2.gz PCOUXINTMWNQCH-KXNHARMFSA-N 2 2 198.354 2.089 10 0 AEAELP Cc1ccc([C@H]([NH3+])C(C)(C)[NH3+])c(C)c1 259377148 573215925 /nfs/dbraw/zinc/21/59/25/573215925.db2.gz NAHOQAVZSMKKHO-NSHDSACASA-N 2 2 192.306 2.041 10 0 AEAELP CCCCC[N@@H+]1C[C@@H]([NH3+])CCC1(C)C 259378896 573219620 /nfs/dbraw/zinc/21/96/20/573219620.db2.gz LCJKBRHJGHQAMW-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCCCC[N@H+]1C[C@@H]([NH3+])CCC1(C)C 259378896 573219627 /nfs/dbraw/zinc/21/96/27/573219627.db2.gz LCJKBRHJGHQAMW-NSHDSACASA-N 2 2 198.354 2.378 10 0 AEAELP CCCCC[N@@H+]1C[C@H]([NH3+])CCC1(C)C 259378893 573219813 /nfs/dbraw/zinc/21/98/13/573219813.db2.gz LCJKBRHJGHQAMW-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCCCC[N@H+]1C[C@H]([NH3+])CCC1(C)C 259378893 573219818 /nfs/dbraw/zinc/21/98/18/573219818.db2.gz LCJKBRHJGHQAMW-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[N@H+](C1CC1)[C@@](C)(CC)[C@@H](C)[NH3+] 308518440 573220385 /nfs/dbraw/zinc/22/03/85/573220385.db2.gz GJWZAINLCMJYND-PWSUYJOCSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@@H+](C1CC1)[C@@](C)(CC)[C@@H](C)[NH3+] 308518440 573220392 /nfs/dbraw/zinc/22/03/92/573220392.db2.gz GJWZAINLCMJYND-PWSUYJOCSA-N 2 2 198.354 2.377 10 0 AEAELP C[NH+](C)C[C@@]1(C(C)(C)C)CCCC[NH2+]1 258488018 573221353 /nfs/dbraw/zinc/22/13/53/573221353.db2.gz AADOPZGAJUVHFS-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[N@H+](C1CC1)[C@](C)(CC)[C@H](C)[NH3+] 308518438 573221531 /nfs/dbraw/zinc/22/15/31/573221531.db2.gz GJWZAINLCMJYND-CMPLNLGQSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@@H+](C1CC1)[C@](C)(CC)[C@H](C)[NH3+] 308518438 573221536 /nfs/dbraw/zinc/22/15/36/573221536.db2.gz GJWZAINLCMJYND-CMPLNLGQSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@@H](C[NH2+]C(C)C)[NH+]1CC=CC1 308519516 573228320 /nfs/dbraw/zinc/22/83/20/573228320.db2.gz QPYZADSEORJOAT-LBPRGKRZSA-N 2 2 196.338 2.025 10 0 AEAELP CCCCCC[N@H+](C)CC[NH2+]C1CC1 42691190 573231029 /nfs/dbraw/zinc/23/10/29/573231029.db2.gz YHWGVHFFACHJJQ-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCCCCC[N@@H+](C)CC[NH2+]C1CC1 42691190 573231037 /nfs/dbraw/zinc/23/10/37/573231037.db2.gz YHWGVHFFACHJJQ-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP Cc1[nH+]cc(C[NH2+]C(C)C)n1C(C)C 258242495 573233999 /nfs/dbraw/zinc/23/39/99/573233999.db2.gz QSVNRBVEZSJLBP-UHFFFAOYSA-N 2 2 195.310 2.270 10 0 AEAELP CC[C@@H](C)C[N@H+](C)CC1([NH2+]C)CCC1 308528068 573238187 /nfs/dbraw/zinc/23/81/87/573238187.db2.gz PUPIDVPLFPRGTH-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)C[N@@H+](C)CC1([NH2+]C)CCC1 308528068 573238191 /nfs/dbraw/zinc/23/81/91/573238191.db2.gz PUPIDVPLFPRGTH-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP Cc1c[nH+]cc2cc(CC[NH3+])ccc12 257977160 573246233 /nfs/dbraw/zinc/24/62/33/573246233.db2.gz DKSGRANFJMJTER-UHFFFAOYSA-N 2 2 186.258 2.044 10 0 AEAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)[C@@H](C)C(C)(C)C 42747605 573253342 /nfs/dbraw/zinc/25/33/42/573253342.db2.gz NIITUMNHBFGDKL-GUBZILKMSA-N 2 2 186.343 2.089 10 0 AEAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@@H](C)C(C)(C)C 42747605 573253347 /nfs/dbraw/zinc/25/33/47/573253347.db2.gz NIITUMNHBFGDKL-GUBZILKMSA-N 2 2 186.343 2.089 10 0 AEAELP C[NH2+][C@H]1C[N@H+](C2CCCC2)C(C)(C)C1 259392264 573253414 /nfs/dbraw/zinc/25/34/14/573253414.db2.gz LVNRXACATRFRHF-SNVBAGLBSA-N 2 2 196.338 2.001 10 0 AEAELP C[NH2+][C@H]1C[N@@H+](C2CCCC2)C(C)(C)C1 259392264 573253420 /nfs/dbraw/zinc/25/34/20/573253420.db2.gz LVNRXACATRFRHF-SNVBAGLBSA-N 2 2 196.338 2.001 10 0 AEAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H](C)C(C)(C)C 42747608 573254592 /nfs/dbraw/zinc/25/45/92/573254592.db2.gz NIITUMNHBFGDKL-UTLUCORTSA-N 2 2 186.343 2.089 10 0 AEAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H](C)C(C)(C)C 42747608 573254600 /nfs/dbraw/zinc/25/46/00/573254600.db2.gz NIITUMNHBFGDKL-UTLUCORTSA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)(C)C 42781624 573255020 /nfs/dbraw/zinc/25/50/20/573255020.db2.gz MWFNPOGGLUHMDT-VHSXEESVSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)(C)C 42781624 573255024 /nfs/dbraw/zinc/25/50/24/573255024.db2.gz MWFNPOGGLUHMDT-VHSXEESVSA-N 2 2 186.343 2.090 10 0 AEAELP C[C@H]([N@@H+](C)[C@H](C)[C@@H](C)[NH3+])C(C)(C)C 42747601 573255286 /nfs/dbraw/zinc/25/52/86/573255286.db2.gz NIITUMNHBFGDKL-BBBLOLIVSA-N 2 2 186.343 2.089 10 0 AEAELP C[C@H]([N@H+](C)[C@H](C)[C@@H](C)[NH3+])C(C)(C)C 42747601 573255290 /nfs/dbraw/zinc/25/52/90/573255290.db2.gz NIITUMNHBFGDKL-BBBLOLIVSA-N 2 2 186.343 2.089 10 0 AEAELP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)(C)C 42781623 573256684 /nfs/dbraw/zinc/25/66/84/573256684.db2.gz MWFNPOGGLUHMDT-UWVGGRQHSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)(C)C 42781623 573256687 /nfs/dbraw/zinc/25/66/87/573256687.db2.gz MWFNPOGGLUHMDT-UWVGGRQHSA-N 2 2 186.343 2.090 10 0 AEAELP CCC[NH2+][C@@H](CC)C[N@@H+](CC)C1CC1 50179175 573270094 /nfs/dbraw/zinc/27/00/94/573270094.db2.gz WQAWKVHRHLLEGE-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](Cn1cc[nH+]c1C(C)C)[NH2+]C 50180407 573269187 /nfs/dbraw/zinc/26/91/87/573269187.db2.gz AWMSAJBOWVVHSJ-SNVBAGLBSA-N 2 2 195.310 2.005 10 0 AEAELP CC(C)[NH+](C(C)C)[C@]1(C)CCC[NH2+]C1 642885246 573268249 /nfs/dbraw/zinc/26/82/49/573268249.db2.gz ASOVEQRCZRPHJN-GFCCVEGCSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](C[NH+]1CCCCCCC1)[NH2+]C 50179147 573269319 /nfs/dbraw/zinc/26/93/19/573269319.db2.gz LASMGDZPXTXKOD-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CCC(CC)[N@@H+](C)C[C@@H](CC)[NH2+]C 50179321 573269520 /nfs/dbraw/zinc/26/95/20/573269520.db2.gz NVHHSAXWXBIIJU-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CCC(CC)[N@H+](C)C[C@@H](CC)[NH2+]C 50179321 573269539 /nfs/dbraw/zinc/26/95/39/573269539.db2.gz NVHHSAXWXBIIJU-SNVBAGLBSA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H](C[N@@H+](CC1CC1)C(C)C)[NH2+]C 50179776 573269653 /nfs/dbraw/zinc/26/96/53/573269653.db2.gz AMNHKARVEDTCBZ-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C[N@H+](CC1CC1)C(C)C)[NH2+]C 50179776 573269646 /nfs/dbraw/zinc/26/96/46/573269646.db2.gz AMNHKARVEDTCBZ-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[NH2+][C@@H](CC)C[N@H+](CC)C1CC1 50179175 573270090 /nfs/dbraw/zinc/27/00/90/573270090.db2.gz WQAWKVHRHLLEGE-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+](C[C@H](CC)[NH2+]C)C(C)C 50179208 573274938 /nfs/dbraw/zinc/27/49/38/573274938.db2.gz LMSMZIOPFYCWBQ-NSHDSACASA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@H]1CCCC[N@H+]1C[C@@H](CC)[NH2+]C 50179190 573272777 /nfs/dbraw/zinc/27/27/77/573272777.db2.gz BXTQWBLSBSDPCR-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1CCCC[N@@H+]1C[C@@H](CC)[NH2+]C 50179190 573272783 /nfs/dbraw/zinc/27/27/83/573272783.db2.gz BXTQWBLSBSDPCR-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](C[C@H](CC)[NH2+]C)C(C)C 50179208 573274941 /nfs/dbraw/zinc/27/49/41/573274941.db2.gz LMSMZIOPFYCWBQ-NSHDSACASA-N 2 2 186.343 2.105 10 0 AEAELP CC[C@@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C 50166467 573275033 /nfs/dbraw/zinc/27/50/33/573275033.db2.gz QGSQNDQWOXETKR-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@@H](C[NH2+]C)[N@@H+]1CCC(C)(C)C1 213145106 573275234 /nfs/dbraw/zinc/27/52/34/573275234.db2.gz SMOINAKBPZWJQG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C[NH2+]C)[N@H+]1CCC(C)(C)C1 213145106 573275238 /nfs/dbraw/zinc/27/52/38/573275238.db2.gz SMOINAKBPZWJQG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 40672496 573280078 /nfs/dbraw/zinc/28/00/78/573280078.db2.gz DVGGTAZTYUNPDD-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 40672496 573280079 /nfs/dbraw/zinc/28/00/79/573280079.db2.gz DVGGTAZTYUNPDD-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH2+][C@H](CCC)C[N@H+](C)C1CC1 50184746 573281413 /nfs/dbraw/zinc/28/14/13/573281413.db2.gz JKAYWUAXSGVEBR-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH2+][C@H](CCC)C[N@@H+](C)C1CC1 50184746 573281419 /nfs/dbraw/zinc/28/14/19/573281419.db2.gz JKAYWUAXSGVEBR-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH2+][C@@H](CCC)Cn1cc[nH+]c1 50185868 573282525 /nfs/dbraw/zinc/28/25/25/573282525.db2.gz JVEZTYDYYWRNKH-NSHDSACASA-N 2 2 195.310 2.051 10 0 AEAELP CCC[NH2+][C@@H](CCC)C[N@H+](C)CC 50184725 573282633 /nfs/dbraw/zinc/28/26/33/573282633.db2.gz FTTMTRIHFLSFRQ-NSHDSACASA-N 2 2 186.343 2.106 10 0 AEAELP CCC[NH2+][C@@H](CCC)C[N@@H+](C)CC 50184725 573282637 /nfs/dbraw/zinc/28/26/37/573282637.db2.gz FTTMTRIHFLSFRQ-NSHDSACASA-N 2 2 186.343 2.106 10 0 AEAELP CCC[C@H]1C[N@H+](CCC)[C@@H](C)CC[NH2+]1 224381014 573282866 /nfs/dbraw/zinc/28/28/66/573282866.db2.gz SCZKPRJQDXUBEI-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H]1C[N@@H+](CCC)[C@@H](C)CC[NH2+]1 224381014 573282874 /nfs/dbraw/zinc/28/28/74/573282874.db2.gz SCZKPRJQDXUBEI-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP Cn1c[nH+]cc1[C@H]([NH3+])CC1CCCC1 74247553 573286610 /nfs/dbraw/zinc/28/66/10/573286610.db2.gz ZMQSFPRUVKYMJG-SNVBAGLBSA-N 2 2 193.294 2.000 10 0 AEAELP Cn1c[nH+]cc1[C@@H]([NH3+])CC1CCCC1 74247554 573287403 /nfs/dbraw/zinc/28/74/03/573287403.db2.gz ZMQSFPRUVKYMJG-JTQLQIEISA-N 2 2 193.294 2.000 10 0 AEAELP CCC[NH2+][C@@H](C)c1c[nH+]c(C2CC2)[nH]1 308541692 573287681 /nfs/dbraw/zinc/28/76/81/573287681.db2.gz MUVHVSYVMCXRRN-QMMMGPOBSA-N 2 2 193.294 2.348 10 0 AEAELP C[NH2+][C@@H]1CCC(C)(C)[N@@H+](C(C)(C)C)C1 259404908 573291132 /nfs/dbraw/zinc/29/11/32/573291132.db2.gz MLTPYPCHMWOOQT-SNVBAGLBSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@@H]1CCC(C)(C)[N@H+](C(C)(C)C)C1 259404908 573291136 /nfs/dbraw/zinc/29/11/36/573291136.db2.gz MLTPYPCHMWOOQT-SNVBAGLBSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@H]1CCC(C)(C)[N@@H+](C(C)(C)C)C1 259404906 573291189 /nfs/dbraw/zinc/29/11/89/573291189.db2.gz MLTPYPCHMWOOQT-JTQLQIEISA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@H]1CCC(C)(C)[N@H+](C(C)(C)C)C1 259404906 573291192 /nfs/dbraw/zinc/29/11/92/573291192.db2.gz MLTPYPCHMWOOQT-JTQLQIEISA-N 2 2 198.354 2.247 10 0 AEAELP Cc1c[nH+]ccc1C[C@@H]1CCCC[NH2+]1 259406313 573292357 /nfs/dbraw/zinc/29/23/57/573292357.db2.gz SBPHOZNEULLKCN-LBPRGKRZSA-N 2 2 190.290 2.075 10 0 AEAELP CC[C@H](C)c1ccc([C@@H]([NH3+])C[NH3+])cc1 259071251 573292418 /nfs/dbraw/zinc/29/24/18/573292418.db2.gz NKSMIOJVUCZMJU-CABZTGNLSA-N 2 2 192.306 2.159 10 0 AEAELP CC[C@@H]1C[N@H+](C)C2(CCCCC2)C[NH2+]1 82936901 573292664 /nfs/dbraw/zinc/29/26/64/573292664.db2.gz COIUBQIMZYADOZ-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@H]1C[N@@H+](C)C2(CCCCC2)C[NH2+]1 82936901 573292669 /nfs/dbraw/zinc/29/26/69/573292669.db2.gz COIUBQIMZYADOZ-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP Cc1c[nH+]ccc1C[C@H]1CCCC[NH2+]1 259406311 573292798 /nfs/dbraw/zinc/29/27/98/573292798.db2.gz SBPHOZNEULLKCN-GFCCVEGCSA-N 2 2 190.290 2.075 10 0 AEAELP CC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]CC1(C)C 82937095 573293419 /nfs/dbraw/zinc/29/34/19/573293419.db2.gz JFCIJWWKPBVMDU-SNVBAGLBSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1C[C@H](C(C)(C)C)[NH2+]CC1(C)C 82937095 573293428 /nfs/dbraw/zinc/29/34/28/573293428.db2.gz JFCIJWWKPBVMDU-SNVBAGLBSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1C[C@@H](C)[NH2+]CC12CCCCC2 82935476 573295101 /nfs/dbraw/zinc/29/51/01/573295101.db2.gz AKFFESNAJRSZFQ-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1C[C@@H](C)[NH2+]CC12CCCCC2 82935476 573295106 /nfs/dbraw/zinc/29/51/06/573295106.db2.gz AKFFESNAJRSZFQ-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[N@@H+]1C[C@@H](C)[NH2+]CC12CCCC2 82935466 573295323 /nfs/dbraw/zinc/29/53/23/573295323.db2.gz FUFMMQMSWTZHKY-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[N@H+]1C[C@@H](C)[NH2+]CC12CCCC2 82935466 573295329 /nfs/dbraw/zinc/29/53/29/573295329.db2.gz FUFMMQMSWTZHKY-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[N@@H+]1CC(C)(C)[NH2+]CC12CCCCC2 82936367 573296186 /nfs/dbraw/zinc/29/61/86/573296186.db2.gz 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AEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1C 82938086 573299562 /nfs/dbraw/zinc/29/95/62/573299562.db2.gz KUZCDAMOJJWMJD-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1C 82938086 573299568 /nfs/dbraw/zinc/29/95/68/573299568.db2.gz KUZCDAMOJJWMJD-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H](C)[C@@H]1C[N@H+](C)[C@@](C)(CC)C[NH2+]1 82937624 573300821 /nfs/dbraw/zinc/30/08/21/573300821.db2.gz JYRULIGAGNMRLX-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H]1C[N@@H+](C)[C@@](C)(CC)C[NH2+]1 82937624 573300824 /nfs/dbraw/zinc/30/08/24/573300824.db2.gz JYRULIGAGNMRLX-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC2(CCCC2)[NH2+]CC1(C)C 82938069 573300940 /nfs/dbraw/zinc/30/09/40/573300940.db2.gz LMQYOXXRWNRIGS-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CC2(CCCC2)[NH2+]CC1(C)C 82938069 573300947 /nfs/dbraw/zinc/30/09/47/573300947.db2.gz LMQYOXXRWNRIGS-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CC(C)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C 82937980 573301952 /nfs/dbraw/zinc/30/19/52/573301952.db2.gz AWZHNPDTPWZRSJ-NSHDSACASA-N 2 2 196.338 2.001 10 0 AEAELP CC(C)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C 82937980 573301957 /nfs/dbraw/zinc/30/19/57/573301957.db2.gz AWZHNPDTPWZRSJ-NSHDSACASA-N 2 2 196.338 2.001 10 0 AEAELP CCC(CC)[N@H+](C)CC1([NH2+]C)CCC1 308547656 573304026 /nfs/dbraw/zinc/30/40/26/573304026.db2.gz WGLLSBVENRBRGU-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[N@@H+](C)CC1([NH2+]C)CCC1 308547656 573304032 /nfs/dbraw/zinc/30/40/32/573304032.db2.gz WGLLSBVENRBRGU-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C 82938021 573304450 /nfs/dbraw/zinc/30/44/50/573304450.db2.gz XWXBPYDJIGMDSB-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C 82938021 573304454 /nfs/dbraw/zinc/30/44/54/573304454.db2.gz XWXBPYDJIGMDSB-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H](C)[C@H]1C[N@H+](C)[C@@](C)(CC)C[NH2+]1 82937626 573304709 /nfs/dbraw/zinc/30/47/09/573304709.db2.gz JYRULIGAGNMRLX-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H]1C[N@@H+](C)[C@@](C)(CC)C[NH2+]1 82937626 573304714 /nfs/dbraw/zinc/30/47/14/573304714.db2.gz JYRULIGAGNMRLX-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1C 82937979 573304978 /nfs/dbraw/zinc/30/49/78/573304978.db2.gz AWZHNPDTPWZRSJ-LLVKDONJSA-N 2 2 196.338 2.001 10 0 AEAELP CC(C)[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1C 82937979 573304982 /nfs/dbraw/zinc/30/49/82/573304982.db2.gz AWZHNPDTPWZRSJ-LLVKDONJSA-N 2 2 196.338 2.001 10 0 AEAELP CC[C@]1(C)C[N@H+](C)C2(CCCC2)C[NH2+]1 82937949 573305189 /nfs/dbraw/zinc/30/51/89/573305189.db2.gz SGTHGTBBMKDDHF-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@]1(C)C[N@@H+](C)C2(CCCC2)C[NH2+]1 82937949 573305196 /nfs/dbraw/zinc/30/51/96/573305196.db2.gz SGTHGTBBMKDDHF-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[N@@H+]1CC2(CCCCC2)[NH2+]CC1(C)C 82938165 573305226 /nfs/dbraw/zinc/30/52/26/573305226.db2.gz 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/nfs/dbraw/zinc/40/18/55/573401855.db2.gz KIQNHNFDVVSBFF-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)[N@@H+]1CC[NH2+]CC12CCCC2 86394457 573402080 /nfs/dbraw/zinc/40/20/80/573402080.db2.gz IVUPXAMTSHZBPW-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H](C)[N@H+]1CC[NH2+]CC12CCCC2 86394457 573402086 /nfs/dbraw/zinc/40/20/86/573402086.db2.gz IVUPXAMTSHZBPW-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC(C)[C@@H](C)[N@@H+]1CCC[NH2+]C(C)(C)C1 83104990 573402311 /nfs/dbraw/zinc/40/23/11/573402311.db2.gz IIRSDQAVDGCEIQ-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 83104990 573402317 /nfs/dbraw/zinc/40/23/17/573402317.db2.gz IIRSDQAVDGCEIQ-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@]1(C)C[N@@H+](C2CCC2)CCC[NH2+]1 83106103 573402426 /nfs/dbraw/zinc/40/24/26/573402426.db2.gz FKLOZDYKYOPYTQ-GFCCVEGCSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@]1(C)C[N@H+](C2CCC2)CCC[NH2+]1 83106103 573402430 /nfs/dbraw/zinc/40/24/30/573402430.db2.gz FKLOZDYKYOPYTQ-GFCCVEGCSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H](C)[N@@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 86394712 573402570 /nfs/dbraw/zinc/40/25/70/573402570.db2.gz CQPDYTAJQKPHPP-QWRGUYRKSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C)[N@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 86394712 573402578 /nfs/dbraw/zinc/40/25/78/573402578.db2.gz CQPDYTAJQKPHPP-QWRGUYRKSA-N 2 2 198.354 2.247 10 0 AEAELP CC(C)C[C@]1(C[NH+](C)C)CCCC[NH2+]1 258643737 573403398 /nfs/dbraw/zinc/40/33/98/573403398.db2.gz KIQNHNFDVVSBFF-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@]1(C)C[N@@H+](C2CCC2)CCC[NH2+]1 83106106 573404648 /nfs/dbraw/zinc/40/46/48/573404648.db2.gz FKLOZDYKYOPYTQ-LBPRGKRZSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1(C)C[N@H+](C2CCC2)CCC[NH2+]1 83106106 573404652 /nfs/dbraw/zinc/40/46/52/573404652.db2.gz FKLOZDYKYOPYTQ-LBPRGKRZSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1[NH+](C)C 308578607 573409694 /nfs/dbraw/zinc/40/96/94/573409694.db2.gz FOLHWQNXJLOMFU-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1[NH+](C)C 308578605 573411194 /nfs/dbraw/zinc/41/11/94/573411194.db2.gz FOLHWQNXJLOMFU-QJPTWQEYSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1[NH+](C)C 308578609 573411404 /nfs/dbraw/zinc/41/14/04/573411404.db2.gz FOLHWQNXJLOMFU-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH3+])c1c[nH+]cn1CCC(C)C 129966862 573414498 /nfs/dbraw/zinc/41/44/98/573414498.db2.gz LFBAXKJEWJQQAS-SNVBAGLBSA-N 2 2 195.310 2.339 10 0 AEAELP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])C1(C)C 308577338 573413899 /nfs/dbraw/zinc/41/38/99/573413899.db2.gz NIBJWUSNBZVQHF-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CCC(CC)C[N@H+]1CC[C@@H]([NH3+])C1(C)C 308577338 573413903 /nfs/dbraw/zinc/41/39/03/573413903.db2.gz NIBJWUSNBZVQHF-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 129896867 573415967 /nfs/dbraw/zinc/41/59/67/573415967.db2.gz KRNIWEZYYHQNEB-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 129896867 573415974 /nfs/dbraw/zinc/41/59/74/573415974.db2.gz KRNIWEZYYHQNEB-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 129897262 573418513 /nfs/dbraw/zinc/41/85/13/573418513.db2.gz KRNIWEZYYHQNEB-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 129897262 573418519 /nfs/dbraw/zinc/41/85/19/573418519.db2.gz KRNIWEZYYHQNEB-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 126227462 573437779 /nfs/dbraw/zinc/43/77/79/573437779.db2.gz SEHYUGXFGTUAON-SRVKXCTJSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 126227462 573437785 /nfs/dbraw/zinc/43/77/85/573437785.db2.gz SEHYUGXFGTUAON-SRVKXCTJSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 126227934 573438322 /nfs/dbraw/zinc/43/83/22/573438322.db2.gz SEHYUGXFGTUAON-SDDRHHMPSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 126227934 573438326 /nfs/dbraw/zinc/43/83/26/573438326.db2.gz SEHYUGXFGTUAON-SDDRHHMPSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 126227261 573438798 /nfs/dbraw/zinc/43/87/98/573438798.db2.gz SEHYUGXFGTUAON-TUAOUCFPSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 126227261 573438808 /nfs/dbraw/zinc/43/88/08/573438808.db2.gz SEHYUGXFGTUAON-TUAOUCFPSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 126227741 573439125 /nfs/dbraw/zinc/43/91/25/573439125.db2.gz SEHYUGXFGTUAON-QJPTWQEYSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 126227741 573439131 /nfs/dbraw/zinc/43/91/31/573439131.db2.gz SEHYUGXFGTUAON-QJPTWQEYSA-N 2 2 198.354 2.103 10 0 AEAELP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1(C)C 308582390 573440096 /nfs/dbraw/zinc/44/00/96/573440096.db2.gz PYRDWIKUDRJTPI-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C1(C)C 308582390 573440100 /nfs/dbraw/zinc/44/01/00/573440100.db2.gz PYRDWIKUDRJTPI-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1(C)C 308582389 573440826 /nfs/dbraw/zinc/44/08/26/573440826.db2.gz PYRDWIKUDRJTPI-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1(C)C 308582389 573440828 /nfs/dbraw/zinc/44/08/28/573440828.db2.gz PYRDWIKUDRJTPI-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1(C)C 308582388 573440873 /nfs/dbraw/zinc/44/08/73/573440873.db2.gz PYRDWIKUDRJTPI-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1(C)C 308582388 573440878 /nfs/dbraw/zinc/44/08/78/573440878.db2.gz PYRDWIKUDRJTPI-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCCn1c[nH+]cc1[C@H]([NH3+])CC(C)C 130054482 573444555 /nfs/dbraw/zinc/44/45/55/573444555.db2.gz GIAGTQVGQMOHRM-SNVBAGLBSA-N 2 2 195.310 2.339 10 0 AEAELP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCCC1 130074193 573450034 /nfs/dbraw/zinc/45/00/34/573450034.db2.gz KJWZYQCUUOLWSG-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH+](C)CC[NH2+]C(C)(C)C1CCCC1 308587850 573450287 /nfs/dbraw/zinc/45/02/87/573450287.db2.gz JDIOQVVDLIWOJD-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)c1[nH]c(CC[NH3+])[nH+]c1C(C)C 257816828 573450700 /nfs/dbraw/zinc/45/07/00/573450700.db2.gz DPNZMMWRDIABMC-UHFFFAOYSA-N 2 2 195.310 2.158 10 0 AEAELP CC(C)(C)[C@H]([NH3+])[C@@H]([NH3+])c1ccccc1 83261796 573452556 /nfs/dbraw/zinc/45/25/56/573452556.db2.gz CWOBHRRVNKFADD-WDEREUQCSA-N 2 2 192.306 2.060 10 0 AEAELP C[C@H]([NH2+][C@H](C)C[NH+](C)C)C1CCCC1 130073738 573453018 /nfs/dbraw/zinc/45/30/18/573453018.db2.gz KJWZYQCUUOLWSG-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CCCCC[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 259455421 573455883 /nfs/dbraw/zinc/45/58/83/573455883.db2.gz PSIBCOCXEHLIEZ-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CCCCC[N@H+]1CCC[C@@H]([NH3+])C1(C)C 259455421 573455888 /nfs/dbraw/zinc/45/58/88/573455888.db2.gz PSIBCOCXEHLIEZ-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC1=[NH+][C@H](C)C[NH2+][C@H](C(C)(C)C)C1 238405351 573461656 /nfs/dbraw/zinc/46/16/56/573461656.db2.gz JZCFIWIAWFJNMA-ZJUUUORDSA-N 2 2 182.311 2.244 10 0 AEAELP CCC[C@H](C[NH2+]C)[N@@H+]1C[C@H](C)C[C@@H]1C 158277499 573462161 /nfs/dbraw/zinc/46/21/61/573462161.db2.gz BWRCDCGVWCQAPP-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C[NH2+]C)[N@H+]1C[C@H](C)C[C@@H]1C 158277499 573462165 /nfs/dbraw/zinc/46/21/65/573462165.db2.gz BWRCDCGVWCQAPP-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CC1=[NH+][C@H](C)C[NH2+][C@@H](C(C)(C)C)C1 238404353 573465994 /nfs/dbraw/zinc/46/59/94/573465994.db2.gz JZCFIWIAWFJNMA-NXEZZACHSA-N 2 2 182.311 2.244 10 0 AEAELP CCCC[C@H](C)[NH2+][C@H](C)C[NH+](C)C 130106791 573471036 /nfs/dbraw/zinc/47/10/36/573471036.db2.gz DIUXIYKQVHFHCD-WDEREUQCSA-N 2 2 186.343 2.105 10 0 AEAELP C[NH2+][C@@H](C)c1c[nH+]c(CC2CCC2)[nH]1 308585470 573476260 /nfs/dbraw/zinc/47/62/60/573476260.db2.gz MBUMZCHPNXGDTI-QMMMGPOBSA-N 2 2 193.294 2.033 10 0 AEAELP C[NH2+][C@H](C)c1c[nH+]c(CC2CCC2)[nH]1 308585468 573476903 /nfs/dbraw/zinc/47/69/03/573476903.db2.gz MBUMZCHPNXGDTI-MRVPVSSYSA-N 2 2 193.294 2.033 10 0 AEAELP CCCC1CC[NH+](C[C@@H](C)[NH2+]C)CC1 50893473 573480202 /nfs/dbraw/zinc/48/02/02/573480202.db2.gz YADADLISMCTEFV-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 130194332 573482052 /nfs/dbraw/zinc/48/20/52/573482052.db2.gz VOSAEMGQGAICIE-MOENNCHZSA-N 2 2 198.354 2.105 10 0 AEAELP C[C@H](C[NH+](C)C)[NH2+]C1CCCCCC1 130195179 573482875 /nfs/dbraw/zinc/48/28/75/573482875.db2.gz QPLLFPQFIPZUGN-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+]C[C@@]1(CC(C)C)CCCC[N@@H+]1C 258695923 573491557 /nfs/dbraw/zinc/49/15/57/573491557.db2.gz MZRPHLHIINPFAR-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C[C@@]1(CC(C)C)CCCC[N@H+]1C 258695923 573491562 /nfs/dbraw/zinc/49/15/62/573491562.db2.gz MZRPHLHIINPFAR-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 130228599 573492122 /nfs/dbraw/zinc/49/21/22/573492122.db2.gz KLBJPTZXJRHDGD-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+]C[C@]1(CC(C)C)CCCC[N@@H+]1C 258695918 573492692 /nfs/dbraw/zinc/49/26/92/573492692.db2.gz MZRPHLHIINPFAR-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C[C@]1(CC(C)C)CCCC[N@H+]1C 258695918 573492697 /nfs/dbraw/zinc/49/26/97/573492697.db2.gz MZRPHLHIINPFAR-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC1CC[NH+](CC[NH2+]CC)CC1 50893600 573498723 /nfs/dbraw/zinc/49/87/23/573498723.db2.gz QKADYIULQUAXCI-UHFFFAOYSA-N 2 2 198.354 2.108 10 0 AEAELP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)C1 130190466 573511462 /nfs/dbraw/zinc/51/14/62/573511462.db2.gz LZLXKAQIMHPTFB-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCC1(C)C 130385800 573512657 /nfs/dbraw/zinc/51/26/57/573512657.db2.gz SDOYXUKKHZGVEN-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCC1(C)C 130385434 573513667 /nfs/dbraw/zinc/51/36/67/573513667.db2.gz SDOYXUKKHZGVEN-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)(CCC[NH3+])Nc1cccc[nH+]1 308605421 573514990 /nfs/dbraw/zinc/51/49/90/573514990.db2.gz HKXSQJWRMWMUFV-UHFFFAOYSA-N 2 2 193.294 2.011 10 0 AEAELP CC(C)[C@@H](C)[NH2+]C1(C[NH+](C)C)CCC1 393566181 573518432 /nfs/dbraw/zinc/51/84/32/573518432.db2.gz QAGLCCWHEPRCRW-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC(C)(C)[N@@H+]1CCC[C@@H]([NH2+]C)C1 126356204 573520135 /nfs/dbraw/zinc/52/01/35/573520135.db2.gz RNGIVBCVJCTYSI-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC(C)(C)[N@H+]1CCC[C@@H]([NH2+]C)C1 126356204 573520141 /nfs/dbraw/zinc/52/01/41/573520141.db2.gz RNGIVBCVJCTYSI-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+]CC(C)(C)[N@H+](C)C1CCCCC1 258747933 573526074 /nfs/dbraw/zinc/52/60/74/573526074.db2.gz GEAXTUWLLBBFTP-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP C[NH2+]CC(C)(C)[N@@H+](C)C1CCCCC1 258747933 573526076 /nfs/dbraw/zinc/52/60/76/573526076.db2.gz GEAXTUWLLBBFTP-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CC[N@@H+]1CCCC[C@H]1[C@@]1(C)CCC[NH2+]1 258051566 573527686 /nfs/dbraw/zinc/52/76/86/573527686.db2.gz DCMFLISDVAQRTG-NWDGAFQWSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CCCC[C@H]1[C@@]1(C)CCC[NH2+]1 258051566 573527693 /nfs/dbraw/zinc/52/76/93/573527693.db2.gz DCMFLISDVAQRTG-NWDGAFQWSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@@H+]1CCCC[C@H]1[C@]1(C)CCC[NH2+]1 258051569 573527717 /nfs/dbraw/zinc/52/77/17/573527717.db2.gz DCMFLISDVAQRTG-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CCCC[C@H]1[C@]1(C)CCC[NH2+]1 258051569 573527724 /nfs/dbraw/zinc/52/77/24/573527724.db2.gz DCMFLISDVAQRTG-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP C[C@H]1C[N@@H+](C2CCCC2)CCCC[NH2+]1 259491639 573528394 /nfs/dbraw/zinc/52/83/94/573528394.db2.gz SEHONAQIMXUSTH-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP C[C@H]1C[N@H+](C2CCCC2)CCCC[NH2+]1 259491639 573528398 /nfs/dbraw/zinc/52/83/98/573528398.db2.gz SEHONAQIMXUSTH-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP C[C@@H]1C[N@@H+](C2CCCC2)CCCC[NH2+]1 259491636 573528927 /nfs/dbraw/zinc/52/89/27/573528927.db2.gz SEHONAQIMXUSTH-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP C[C@@H]1C[N@H+](C2CCCC2)CCCC[NH2+]1 259491636 573528933 /nfs/dbraw/zinc/52/89/33/573528933.db2.gz SEHONAQIMXUSTH-LLVKDONJSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@@H+]1CCCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258051573 573529488 /nfs/dbraw/zinc/52/94/88/573529488.db2.gz DCMFLISDVAQRTG-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CCCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258051573 573529492 /nfs/dbraw/zinc/52/94/92/573529492.db2.gz DCMFLISDVAQRTG-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@@H+]1CCCC[C@@H]1[C@]1(C)CCC[NH2+]1 258051563 573529614 /nfs/dbraw/zinc/52/96/14/573529614.db2.gz DCMFLISDVAQRTG-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CCCC[C@@H]1[C@]1(C)CCC[NH2+]1 258051563 573529621 /nfs/dbraw/zinc/52/96/21/573529621.db2.gz DCMFLISDVAQRTG-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP C[NH+](C)[C@@H](c1cccs1)C(C)(C)[NH3+] 259494070 573538444 /nfs/dbraw/zinc/53/84/44/573538444.db2.gz LIIGQXGQYAVWLR-VIFPVBQESA-N 2 2 198.335 2.088 10 0 AEAELP CCC1(C[NH2+]C[C@@H](C)[NH+](C)C)CCC1 308615783 573539264 /nfs/dbraw/zinc/53/92/64/573539264.db2.gz QFFSAXRHSMXCBL-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC1(C[NH2+]C[C@H](C)[NH+](C)C)CCC1 308615787 573540619 /nfs/dbraw/zinc/54/06/19/573540619.db2.gz QFFSAXRHSMXCBL-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)c1c[nH+]cc(CCC[NH3+])c1 259501114 573543436 /nfs/dbraw/zinc/54/34/36/573543436.db2.gz YVCARFDDNSQLFJ-UHFFFAOYSA-N 2 2 178.279 2.096 10 0 AEAELP CC(C)CC[N@@H+]1CCC[C@H]([NH3+])C1(C)C 258767099 573545324 /nfs/dbraw/zinc/54/53/24/573545324.db2.gz KYORTUJFAKXWPF-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@H+]1CCC[C@H]([NH3+])C1(C)C 258767099 573545328 /nfs/dbraw/zinc/54/53/28/573545328.db2.gz KYORTUJFAKXWPF-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 258767096 573545349 /nfs/dbraw/zinc/54/53/49/573545349.db2.gz KYORTUJFAKXWPF-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@H+]1CCC[C@@H]([NH3+])C1(C)C 258767096 573545353 /nfs/dbraw/zinc/54/53/53/573545353.db2.gz KYORTUJFAKXWPF-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H]1C 308630913 573547880 /nfs/dbraw/zinc/54/78/80/573547880.db2.gz YWRYFITXIXKVHO-QJPTWQEYSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@H]1C 308630915 573547053 /nfs/dbraw/zinc/54/70/53/573547053.db2.gz YWRYFITXIXKVHO-SRVKXCTJSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H]1C 308630915 573547059 /nfs/dbraw/zinc/54/70/59/573547059.db2.gz YWRYFITXIXKVHO-SRVKXCTJSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@@H]1C 308630916 573549030 /nfs/dbraw/zinc/54/90/30/573549030.db2.gz YWRYFITXIXKVHO-TUAOUCFPSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@@H]1C 308630913 573547873 /nfs/dbraw/zinc/54/78/73/573547873.db2.gz YWRYFITXIXKVHO-QJPTWQEYSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)C[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H]1C 308630916 573549034 /nfs/dbraw/zinc/54/90/34/573549034.db2.gz YWRYFITXIXKVHO-TUAOUCFPSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)CC[N@@H+]1C[C@@H]([NH3+])CCC1(C)C 258770276 573548270 /nfs/dbraw/zinc/54/82/70/573548270.db2.gz LGFFKASALORHOX-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)CC[N@H+]1C[C@@H]([NH3+])CCC1(C)C 258770276 573548275 /nfs/dbraw/zinc/54/82/75/573548275.db2.gz LGFFKASALORHOX-NSHDSACASA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1sccc1C 259503824 573550723 /nfs/dbraw/zinc/55/07/23/573550723.db2.gz UQBHZNKOVDCCOM-VIFPVBQESA-N 2 2 198.335 2.054 10 0 AEAELP C/C=C\C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 308629122 573551316 /nfs/dbraw/zinc/55/13/16/573551316.db2.gz YFAGUBYLNSMLIX-QMAVJUDZSA-N 2 2 196.338 2.025 10 0 AEAELP C/C=C\C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 308629122 573551321 /nfs/dbraw/zinc/55/13/21/573551321.db2.gz YFAGUBYLNSMLIX-QMAVJUDZSA-N 2 2 196.338 2.025 10 0 AEAELP CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 126515569 573552319 /nfs/dbraw/zinc/55/23/19/573552319.db2.gz QTNDHWUQFXRKBQ-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 126515122 573552889 /nfs/dbraw/zinc/55/28/89/573552889.db2.gz QTNDHWUQFXRKBQ-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 126515349 573553289 /nfs/dbraw/zinc/55/32/89/573553289.db2.gz QTNDHWUQFXRKBQ-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 126515794 573554177 /nfs/dbraw/zinc/55/41/77/573554177.db2.gz QTNDHWUQFXRKBQ-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCCC1(CCC)C[NH+]([C@@H](C)C[NH3+])C1 86678916 573557978 /nfs/dbraw/zinc/55/79/78/573557978.db2.gz AIBVAOOGWWHKNT-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP Cc1[nH]c(CC(C)(C)[NH3+])[nH+]c1C(C)C 258774297 573559235 /nfs/dbraw/zinc/55/92/35/573559235.db2.gz UHALEQYYBISISU-UHFFFAOYSA-N 2 2 195.310 2.121 10 0 AEAELP Cc1[nH+]c(CC(C)(C)[NH3+])[nH]c1C(C)C 258774297 573559240 /nfs/dbraw/zinc/55/92/40/573559240.db2.gz UHALEQYYBISISU-UHFFFAOYSA-N 2 2 195.310 2.121 10 0 AEAELP C[NH2+]C(C)(C)[C@H](C1CCCC1)[NH+](C)C 259509253 573561638 /nfs/dbraw/zinc/56/16/38/573561638.db2.gz MCUKOVYGBYEKNC-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCCC[NH2+]1 238440300 573560744 /nfs/dbraw/zinc/56/07/44/573560744.db2.gz IATFARALGBNTBE-UTUOFQBUSA-N 2 2 196.338 2.001 10 0 AEAELP C[NH2+][C@H](C[NH2+]C(C)C)c1cccs1 259509213 573560991 /nfs/dbraw/zinc/56/09/91/573560991.db2.gz SOJHEGUQQCIVRG-SECBINFHSA-N 2 2 198.335 2.007 10 0 AEAELP Cc1[nH+]c(C2CCCCC2)[nH]c1C[NH3+] 75407061 573561450 /nfs/dbraw/zinc/56/14/50/573561450.db2.gz PLKYGRIKPXAWGN-UHFFFAOYSA-N 2 2 193.294 2.225 10 0 AEAELP C[NH2+]C(C)(C)[C@@H](C1CCCC1)[NH+](C)C 259509250 573561897 /nfs/dbraw/zinc/56/18/97/573561897.db2.gz MCUKOVYGBYEKNC-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)(C)c1[nH+]c(C2CC2)[nH]c1C[NH3+] 75407097 573561984 /nfs/dbraw/zinc/56/19/84/573561984.db2.gz FTUKDBFOCPSNDG-UHFFFAOYSA-N 2 2 193.294 2.043 10 0 AEAELP CC[N@H+]1C[C@@H]([NH2+]C(C)(C)CC)[C@H](C)C1 308624483 573566329 /nfs/dbraw/zinc/56/63/29/573566329.db2.gz VJIIRLHUUNHSFS-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1C[C@@H]([NH2+]C(C)(C)CC)[C@H](C)C1 308624483 573566335 /nfs/dbraw/zinc/56/63/35/573566335.db2.gz VJIIRLHUUNHSFS-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C(C)(C)CC)C1 308624487 573566354 /nfs/dbraw/zinc/56/63/54/573566354.db2.gz VJIIRLHUUNHSFS-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C(C)(C)CC)C1 308624487 573566360 /nfs/dbraw/zinc/56/63/60/573566360.db2.gz VJIIRLHUUNHSFS-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C(C)(C)CC)C1 308624484 573567002 /nfs/dbraw/zinc/56/70/02/573567002.db2.gz VJIIRLHUUNHSFS-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C(C)(C)CC)C1 308624484 573567007 /nfs/dbraw/zinc/56/70/07/573567007.db2.gz VJIIRLHUUNHSFS-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CCc1cc[nH+]cc1CCC1([NH3+])CC1 257831876 573568021 /nfs/dbraw/zinc/56/80/21/573568021.db2.gz JOLAWKISQUQFTJ-UHFFFAOYSA-N 2 2 190.290 2.068 10 0 AEAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C(C)(C)CC)C1 308624486 573570457 /nfs/dbraw/zinc/57/04/57/573570457.db2.gz VJIIRLHUUNHSFS-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]C(C)(C)CC)C1 308624486 573570461 /nfs/dbraw/zinc/57/04/61/573570461.db2.gz VJIIRLHUUNHSFS-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C[NH2+][C@@H](C)C1CCC1)[NH+](C)C 308625534 573570513 /nfs/dbraw/zinc/57/05/13/573570513.db2.gz VWILEJDYDFLMFC-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C[NH2+][C@@H](C)C1CCC1)[NH+](C)C 308625535 573570576 /nfs/dbraw/zinc/57/05/76/573570576.db2.gz VWILEJDYDFLMFC-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)=CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 308636494 573576462 /nfs/dbraw/zinc/57/64/62/573576462.db2.gz CLWCVIZJPNNFNK-VXGBXAGGSA-N 2 2 196.338 2.025 10 0 AEAELP CC(C)=CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 308636494 573576468 /nfs/dbraw/zinc/57/64/68/573576468.db2.gz CLWCVIZJPNNFNK-VXGBXAGGSA-N 2 2 196.338 2.025 10 0 AEAELP CC(C)=CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 308636491 573577885 /nfs/dbraw/zinc/57/78/85/573577885.db2.gz CLWCVIZJPNNFNK-NWDGAFQWSA-N 2 2 196.338 2.025 10 0 AEAELP CC(C)=CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 308636491 573577889 /nfs/dbraw/zinc/57/78/89/573577889.db2.gz CLWCVIZJPNNFNK-NWDGAFQWSA-N 2 2 196.338 2.025 10 0 AEAELP CC[N@H+](CC1([NH2+]C)CCCC1)C(C)C 308636846 573578206 /nfs/dbraw/zinc/57/82/06/573578206.db2.gz BFKBBUOWSFCAHN-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CC[N@@H+](CC1([NH2+]C)CCCC1)C(C)C 308636846 573578215 /nfs/dbraw/zinc/57/82/15/573578215.db2.gz BFKBBUOWSFCAHN-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)(C[NH2+]C[NH3+])C1CCCCC1 258791186 573580177 /nfs/dbraw/zinc/58/01/77/573580177.db2.gz CMMQBSAQXAVVPW-UHFFFAOYSA-N 2 2 184.327 2.099 10 0 AEAELP Cc1[nH]c(C(C)(C)C[NH3+])[nH+]c1C(C)C 258786453 573580210 /nfs/dbraw/zinc/58/02/10/573580210.db2.gz VHPMOEIUUVGKRR-UHFFFAOYSA-N 2 2 195.310 2.078 10 0 AEAELP Cc1[nH+]c(C(C)(C)C[NH3+])[nH]c1C(C)C 258786453 573580214 /nfs/dbraw/zinc/58/02/14/573580214.db2.gz VHPMOEIUUVGKRR-UHFFFAOYSA-N 2 2 195.310 2.078 10 0 AEAELP CCCC[N@@H+]1CCCC[NH2+]C(C)(C)C1 259517484 573580356 /nfs/dbraw/zinc/58/03/56/573580356.db2.gz VAOFALAPPGHGQM-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCCC[N@H+]1CCCC[NH2+]C(C)(C)C1 259517484 573580359 /nfs/dbraw/zinc/58/03/59/573580359.db2.gz VAOFALAPPGHGQM-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP C[NH+](C)CC(C)(C)[NH2+]CC1(C)CCC1 308637250 573580730 /nfs/dbraw/zinc/58/07/30/573580730.db2.gz PYYMQURPFDVZBB-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP C[C@@H](C[NH3+])c1[nH]cc(C2CCCC2)[nH+]1 259115714 573581540 /nfs/dbraw/zinc/58/15/40/573581540.db2.gz PNAHGPJLJRFAFY-QMMMGPOBSA-N 2 2 193.294 2.130 10 0 AEAELP CCCCC[N@@H+]1CCCC[NH2+][C@H](C)C1 259519312 573586884 /nfs/dbraw/zinc/58/68/84/573586884.db2.gz VFMJSTRHIBKDOU-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCCCC[N@H+]1CCCC[NH2+][C@H](C)C1 259519312 573586889 /nfs/dbraw/zinc/58/68/89/573586889.db2.gz VFMJSTRHIBKDOU-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83680408 573589487 /nfs/dbraw/zinc/58/94/87/573589487.db2.gz SPDMTBSUXLELGF-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 83680408 573589480 /nfs/dbraw/zinc/58/94/80/573589480.db2.gz SPDMTBSUXLELGF-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCCC(C)(C)CC1 83680412 573589705 /nfs/dbraw/zinc/58/97/05/573589705.db2.gz SPDMTBSUXLELGF-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCCC(C)(C)CC1 83680412 573589712 /nfs/dbraw/zinc/58/97/12/573589712.db2.gz SPDMTBSUXLELGF-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+]C[C@H](C)[N@@H+]1CCCC(C)(C)CC1 83681166 573591307 /nfs/dbraw/zinc/59/13/07/573591307.db2.gz ZWKFBANXMCMKKG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@H](C)C[N@@H+]1CCCC(C)(C)CC1 83680362 573590994 /nfs/dbraw/zinc/59/09/94/573590994.db2.gz DZBNRLVQBXTROP-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@H](C)C[N@H+]1CCCC(C)(C)CC1 83680362 573590999 /nfs/dbraw/zinc/59/09/99/573590999.db2.gz DZBNRLVQBXTROP-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+]C[C@H](C)[N@H+]1CCCC(C)(C)CC1 83681166 573591308 /nfs/dbraw/zinc/59/13/08/573591308.db2.gz ZWKFBANXMCMKKG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 83680407 573591616 /nfs/dbraw/zinc/59/16/16/573591616.db2.gz SPDMTBSUXLELGF-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCC(C)(C)CC1 83680407 573591619 /nfs/dbraw/zinc/59/16/19/573591619.db2.gz SPDMTBSUXLELGF-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+][C@@H](C)C[N@@H+]1CCCC(C)(C)CC1 83680360 573593695 /nfs/dbraw/zinc/59/36/95/573593695.db2.gz DZBNRLVQBXTROP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@@H](C)C[N@H+]1CCCC(C)(C)CC1 83680360 573593698 /nfs/dbraw/zinc/59/36/98/573593698.db2.gz DZBNRLVQBXTROP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@H+](C[C@]1(CC)CCC[NH2+]1)C(C)C 215405158 573595700 /nfs/dbraw/zinc/59/57/00/573595700.db2.gz DKLJMMYGUCJZSV-LBPRGKRZSA-N 2 2 198.354 2.249 10 0 AEAELP CC[N@@H+](C[C@]1(CC)CCC[NH2+]1)C(C)C 215405158 573595714 /nfs/dbraw/zinc/59/57/14/573595714.db2.gz DKLJMMYGUCJZSV-LBPRGKRZSA-N 2 2 198.354 2.249 10 0 AEAELP C/C=C\C[NH2+][C@@H](CC(C)C)C[NH+](C)C 308405498 573595872 /nfs/dbraw/zinc/59/58/72/573595872.db2.gz MKXKVRNDWUNUJB-DGMVEKRQSA-N 2 2 198.354 2.128 10 0 AEAELP CCC[N@H+](CC)C[C@@]1(CC)CCC[NH2+]1 215364237 573596539 /nfs/dbraw/zinc/59/65/39/573596539.db2.gz YNRQEOBNBLPYAV-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCC[N@@H+](CC)C[C@@]1(CC)CCC[NH2+]1 215364237 573596544 /nfs/dbraw/zinc/59/65/44/573596544.db2.gz YNRQEOBNBLPYAV-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CC[C@]1(C[N@H+](C)CC(C)C)CCC[NH2+]1 215370630 573597703 /nfs/dbraw/zinc/59/77/03/573597703.db2.gz SIMMSASNJLGPNA-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@]1(C[N@@H+](C)CC(C)C)CCC[NH2+]1 215370630 573597706 /nfs/dbraw/zinc/59/77/06/573597706.db2.gz SIMMSASNJLGPNA-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@]1(C[N@H+](C)CC(C)C)CCC[NH2+]1 215370675 573601635 /nfs/dbraw/zinc/60/16/35/573601635.db2.gz SIMMSASNJLGPNA-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@]1(C[N@@H+](C)CC(C)C)CCC[NH2+]1 215370675 573601640 /nfs/dbraw/zinc/60/16/40/573601640.db2.gz SIMMSASNJLGPNA-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[N@H+](CC)CC1([NH2+]C)CCCC1 308648231 573606407 /nfs/dbraw/zinc/60/64/07/573606407.db2.gz IMCWDIVRDAVGKW-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCC[N@@H+](CC)CC1([NH2+]C)CCCC1 308648231 573606410 /nfs/dbraw/zinc/60/64/10/573606410.db2.gz IMCWDIVRDAVGKW-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CC[C@@H](C[NH3+])c1[nH]cc(CC(C)C)[nH+]1 259129528 573609304 /nfs/dbraw/zinc/60/93/04/573609304.db2.gz QULBORUWUZHRSR-VIFPVBQESA-N 2 2 195.310 2.061 10 0 AEAELP CCCc1c[nH+]c(CCC(C)(C)[NH3+])[nH]1 259129373 573608530 /nfs/dbraw/zinc/60/85/30/573608530.db2.gz QTEKJYQGIXUQBF-UHFFFAOYSA-N 2 2 195.310 2.032 10 0 AEAELP CC(C)=C[NH2+]CC[NH2+]C=C(C)C 142708980 573610473 /nfs/dbraw/zinc/61/04/73/573610473.db2.gz AXNSCCUFUGJNCX-UHFFFAOYSA-N 2 2 168.284 2.013 10 0 AEAELP C/C=C\C[N@@H+]1CCC[C@H]1C[NH2+]C(C)C 308407180 573612298 /nfs/dbraw/zinc/61/22/98/573612298.db2.gz AJUSNBQKWXIQGB-RXNFCKPNSA-N 2 2 196.338 2.025 10 0 AEAELP C/C=C\C[N@H+]1CCC[C@H]1C[NH2+]C(C)C 308407180 573612307 /nfs/dbraw/zinc/61/23/07/573612307.db2.gz AJUSNBQKWXIQGB-RXNFCKPNSA-N 2 2 196.338 2.025 10 0 AEAELP CC[C@H](C[NH3+])c1[nH]cc(CC(C)C)[nH+]1 259129524 573612079 /nfs/dbraw/zinc/61/20/79/573612079.db2.gz QULBORUWUZHRSR-SECBINFHSA-N 2 2 195.310 2.061 10 0 AEAELP CC(C)c1c[nH+]c(CC(C)(C)C[NH3+])[nH]1 259129176 573612489 /nfs/dbraw/zinc/61/24/89/573612489.db2.gz QRLJMNUMAXECFU-UHFFFAOYSA-N 2 2 195.310 2.061 10 0 AEAELP C[NH2+][C@@H]1CCC(C)(C)[N@H+](CC(C)C)C1 259530629 573619299 /nfs/dbraw/zinc/61/92/99/573619299.db2.gz VXYQBORMESKVCD-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP C/C=C\C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]C 308407363 573619142 /nfs/dbraw/zinc/61/91/42/573619142.db2.gz UPXNYIGZWWFBFB-XLMCQVRKSA-N 2 2 196.338 2.025 10 0 AEAELP C[NH2+][C@@H]1CCC(C)(C)[N@@H+](CC(C)C)C1 259530629 573619306 /nfs/dbraw/zinc/61/93/06/573619306.db2.gz VXYQBORMESKVCD-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP C/C=C\C[N@H+]1CCCC[C@@H]1[C@H](C)[NH2+]C 308407361 573617939 /nfs/dbraw/zinc/61/79/39/573617939.db2.gz UPXNYIGZWWFBFB-KBIXYVOKSA-N 2 2 196.338 2.025 10 0 AEAELP C/C=C\C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH2+]C 308407361 573617945 /nfs/dbraw/zinc/61/79/45/573617945.db2.gz UPXNYIGZWWFBFB-KBIXYVOKSA-N 2 2 196.338 2.025 10 0 AEAELP C/C=C\C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]C 308407363 573619148 /nfs/dbraw/zinc/61/91/48/573619148.db2.gz UPXNYIGZWWFBFB-XLMCQVRKSA-N 2 2 196.338 2.025 10 0 AEAELP C[NH2+][C@H]1CCC(C)(C)[N@H+](CC(C)C)C1 259530634 573619244 /nfs/dbraw/zinc/61/92/44/573619244.db2.gz VXYQBORMESKVCD-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@H]1CCC(C)(C)[N@@H+](CC(C)C)C1 259530634 573619251 /nfs/dbraw/zinc/61/92/51/573619251.db2.gz VXYQBORMESKVCD-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+][C@@H]1CC[N@H+](CCCCC(C)C)C1 147569161 573620599 /nfs/dbraw/zinc/62/05/99/573620599.db2.gz PDNLVATVFRANJZ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@@H]1CC[N@@H+](CCCCC(C)C)C1 147569161 573620613 /nfs/dbraw/zinc/62/06/13/573620613.db2.gz PDNLVATVFRANJZ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[N@@H+]1CC[NH2+][C@@H](C)CC1 130517587 573621265 /nfs/dbraw/zinc/62/12/65/573621265.db2.gz IFXWHWBQXDTICI-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[N@H+]1CC[NH2+][C@@H](C)CC1 130517587 573621267 /nfs/dbraw/zinc/62/12/67/573621267.db2.gz IFXWHWBQXDTICI-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 126669879 573623432 /nfs/dbraw/zinc/62/34/32/573623432.db2.gz LNHOEOBBHPQBFV-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 126669879 573623435 /nfs/dbraw/zinc/62/34/35/573623435.db2.gz LNHOEOBBHPQBFV-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@H]1CC[N@H+](CCCCC(C)C)C1 147568969 573623742 /nfs/dbraw/zinc/62/37/42/573623742.db2.gz PDNLVATVFRANJZ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP C[NH2+][C@H]1CC[N@@H+](CCCCC(C)C)C1 147568969 573623747 /nfs/dbraw/zinc/62/37/47/573623747.db2.gz PDNLVATVFRANJZ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 126665177 573625156 /nfs/dbraw/zinc/62/51/56/573625156.db2.gz WVKGCTYNQJHKNY-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 126665177 573625159 /nfs/dbraw/zinc/62/51/59/573625159.db2.gz WVKGCTYNQJHKNY-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 126670453 573624810 /nfs/dbraw/zinc/62/48/10/573624810.db2.gz LNHOEOBBHPQBFV-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 126670453 573624815 /nfs/dbraw/zinc/62/48/15/573624815.db2.gz LNHOEOBBHPQBFV-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 126665651 573626370 /nfs/dbraw/zinc/62/63/70/573626370.db2.gz WVKGCTYNQJHKNY-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 126665651 573626379 /nfs/dbraw/zinc/62/63/79/573626379.db2.gz WVKGCTYNQJHKNY-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1[NH3+] 308650081 573626867 /nfs/dbraw/zinc/62/68/67/573626867.db2.gz JPMXSDWTVSSIFA-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@@H]1[NH3+] 308650081 573626870 /nfs/dbraw/zinc/62/68/70/573626870.db2.gz JPMXSDWTVSSIFA-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@H+](CC(C)(C)C)CC1([NH3+])CCC1 308650105 573628027 /nfs/dbraw/zinc/62/80/27/573628027.db2.gz JQFPKSGMFYIHMW-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[N@@H+](CC(C)(C)C)CC1([NH3+])CCC1 308650105 573628033 /nfs/dbraw/zinc/62/80/33/573628033.db2.gz JQFPKSGMFYIHMW-UHFFFAOYSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@](C)([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 86808862 573631355 /nfs/dbraw/zinc/63/13/55/573631355.db2.gz IZIMRTFZKWVWPG-TUAOUCFPSA-N 2 2 198.354 2.092 10 0 AEAELP CC[N@H+](CC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] 308650076 573630960 /nfs/dbraw/zinc/63/09/60/573630960.db2.gz JPMXSDWTVSSIFA-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@@H+](CC(C)(C)C)[C@@H]1CCC[C@H]1[NH3+] 308650076 573630965 /nfs/dbraw/zinc/63/09/65/573630965.db2.gz JPMXSDWTVSSIFA-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+]Cc1c[nH+]c([C@@H]2CC[C@H](C)C2)[nH]1 83790702 573632951 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DFXJXVGLPXDCQC-JTQLQIEISA-N 2 2 186.343 2.234 10 0 AEAELP CCC([NH3+])(CC)C[NH+]1CCCCCC1 86814264 573633849 /nfs/dbraw/zinc/63/38/49/573633849.db2.gz JGYJRINZXCDAQI-UHFFFAOYSA-N 2 2 198.354 2.380 10 0 AEAELP CC[C@](C)([NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1C 86810155 573633930 /nfs/dbraw/zinc/63/39/30/573633930.db2.gz NZFCWTKIPMTEDZ-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@](C)([NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1C 86810155 573633935 /nfs/dbraw/zinc/63/39/35/573633935.db2.gz NZFCWTKIPMTEDZ-SRVKXCTJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@](C)([NH3+])C[N@@H+]1[C@@H](C)CCC[C@H]1C 86808907 573634038 /nfs/dbraw/zinc/63/40/38/573634038.db2.gz WAMBGTJEFZNNPW-GRYCIOLGSA-N 2 2 198.354 2.377 10 0 AEAELP CC[C@@](C)([NH3+])C[N@H+]1[C@@H](C)CCC[C@H]1C 86808907 573634041 /nfs/dbraw/zinc/63/40/41/573634041.db2.gz WAMBGTJEFZNNPW-GRYCIOLGSA-N 2 2 198.354 2.377 10 0 AEAELP C[NH2+]Cc1c[nH+]c([C@H]2CC[C@@H](C)C2)[nH]1 83790691 573634089 /nfs/dbraw/zinc/63/40/89/573634089.db2.gz UNHWMUSRGMPXTQ-BDAKNGLRSA-N 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QAGLCCWHEPRCRW-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP Cc1ccc([C@H]([NH3+])C(C)(C)[NH3+])cc1C 259213313 573859537 /nfs/dbraw/zinc/85/95/37/573859537.db2.gz GNLOWMUOIOIDTJ-NSHDSACASA-N 2 2 192.306 2.041 10 0 AEAELP Cc1ccc([C@@H]([NH3+])C(C)(C)[NH3+])cc1C 259213303 573859859 /nfs/dbraw/zinc/85/98/59/573859859.db2.gz GNLOWMUOIOIDTJ-LLVKDONJSA-N 2 2 192.306 2.041 10 0 AEAELP CC[C@H]([NH2+]C)[C@@H](C)[NH+]1CCC(C)CC1 43806359 573863421 /nfs/dbraw/zinc/86/34/21/573863421.db2.gz RTBKRASKDITNND-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C 43808843 573864083 /nfs/dbraw/zinc/86/40/83/573864083.db2.gz APTRJDJHQNOLCM-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP C[C@H]([NH3+])C1([NH+]2CCCC2)CCCCC1 258165510 573862378 /nfs/dbraw/zinc/86/23/78/573862378.db2.gz TZQFCTSELPYNLL-NSHDSACASA-N 2 2 196.338 2.132 10 0 AEAELP CCC[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 43806881 573862549 /nfs/dbraw/zinc/86/25/49/573862549.db2.gz CDZQBNJZXUSTHF-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH+](CC)[C@@H]1CCCCC[C@@H]1[NH2+]C 43808855 573862814 /nfs/dbraw/zinc/86/28/14/573862814.db2.gz SSCPCBWVIYBZBA-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)C[C@@]1(C)[NH2+][C@@H](C)CC(C)(C)[NH2+]1 238170946 573863343 /nfs/dbraw/zinc/86/33/43/573863343.db2.gz JUUPOOUSUFLZCW-JQWIXIFHSA-N 2 2 198.354 2.499 10 0 AEAELP CC[NH+](CC)[C@H]1CCCCC[C@@H]1[NH2+]C 43808857 573863036 /nfs/dbraw/zinc/86/30/36/573863036.db2.gz SSCPCBWVIYBZBA-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[NH2+][C@H](C)C[NH+]1CCC(C)CC1 43806883 573863524 /nfs/dbraw/zinc/86/35/24/573863524.db2.gz CDZQBNJZXUSTHF-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH+](CC)[C@@H]1CCCCC[C@H]1[NH2+]C 43808859 573863661 /nfs/dbraw/zinc/86/36/61/573863661.db2.gz SSCPCBWVIYBZBA-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH+](CC)[C@H]1C[C@H](C)CC[C@@H]1[NH2+]C 43808841 573863911 /nfs/dbraw/zinc/86/39/11/573863911.db2.gz APTRJDJHQNOLCM-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCCC[C@@H]1C 43810208 573864043 /nfs/dbraw/zinc/86/40/43/573864043.db2.gz HKNPFLVAUCNFRE-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCCC[C@@H]1C 43810208 573864049 /nfs/dbraw/zinc/86/40/49/573864049.db2.gz HKNPFLVAUCNFRE-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[N@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC 43886176 573867972 /nfs/dbraw/zinc/86/79/72/573867972.db2.gz FAUWANWBHQCWOC-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@H+](CC)[C@H]1CCCC[C@@H]1[NH2+]C 43884447 573868535 /nfs/dbraw/zinc/86/85/35/573868535.db2.gz UKFVMOAJIWRGER-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](CC)[C@H]1CCCC[C@@H]1[NH2+]C 43884447 573868542 /nfs/dbraw/zinc/86/85/42/573868542.db2.gz UKFVMOAJIWRGER-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[NH+]1CCCCCC1 43812029 573868983 /nfs/dbraw/zinc/86/89/83/573868983.db2.gz ZTFSMSDNLVDYSZ-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC 43886176 573867978 /nfs/dbraw/zinc/86/79/78/573867978.db2.gz FAUWANWBHQCWOC-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)[NH2+]C)C1 43896734 573868070 /nfs/dbraw/zinc/86/80/70/573868070.db2.gz KOGYXDNLZKXJIP-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1CCC[N@H+]([C@@H](C)[C@@H](C)[NH2+]C)C1 43896734 573868075 /nfs/dbraw/zinc/86/80/75/573868075.db2.gz KOGYXDNLZKXJIP-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)C1CC1 43823599 573868245 /nfs/dbraw/zinc/86/82/45/573868245.db2.gz RKYDNYWJURLMBZ-JQWIXIFHSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)C1CC1 43823599 573868253 /nfs/dbraw/zinc/86/82/53/573868253.db2.gz RKYDNYWJURLMBZ-JQWIXIFHSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)C1CC1 43823593 573868437 /nfs/dbraw/zinc/86/84/37/573868437.db2.gz RKYDNYWJURLMBZ-PWSUYJOCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)C1CC1 43823593 573868443 /nfs/dbraw/zinc/86/84/43/573868443.db2.gz RKYDNYWJURLMBZ-PWSUYJOCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[N@H+](CC)[C@@H]1CCC[C@@H]1[NH2+]CC 43884545 573868606 /nfs/dbraw/zinc/86/86/06/573868606.db2.gz KWFKKHIATDWDAX-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1[NH2+]CC 43884545 573868613 /nfs/dbraw/zinc/86/86/13/573868613.db2.gz KWFKKHIATDWDAX-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](CC)[NH2+]C 43887231 573868701 /nfs/dbraw/zinc/86/87/01/573868701.db2.gz NTEDYLRGMNQCGV-GARJFASQSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](CC)[NH2+]C 43887231 573868707 /nfs/dbraw/zinc/86/87/07/573868707.db2.gz NTEDYLRGMNQCGV-GARJFASQSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)[NH2+]C 43883377 573869019 /nfs/dbraw/zinc/86/90/19/573869019.db2.gz UEERZDMMTWKEFU-GRYCIOLGSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)[NH2+]C 43883377 573869024 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CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](CC)C(C)C 43824049 573873617 /nfs/dbraw/zinc/87/36/17/573873617.db2.gz UNPBBSMHXQPPDQ-GHMZBOCLSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](CC)C(C)C 43824049 573873621 /nfs/dbraw/zinc/87/36/21/573873621.db2.gz UNPBBSMHXQPPDQ-GHMZBOCLSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@H](C)[N@H+](CC)[C@@H](C)[C@@H](C)[NH2+]C 43888721 573873648 /nfs/dbraw/zinc/87/36/48/573873648.db2.gz IKAIKJILPRNFGI-MXWKQRLJSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)[NH2+]C 43888721 573873653 /nfs/dbraw/zinc/87/36/53/573873653.db2.gz IKAIKJILPRNFGI-MXWKQRLJSA-N 2 2 186.343 2.103 10 0 AEAELP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@@H]1[NH2+]C 43888478 573873719 /nfs/dbraw/zinc/87/37/19/573873719.db2.gz HNGUKYSGESALPV-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@@H]1[NH2+]C 43888478 573873723 /nfs/dbraw/zinc/87/37/23/573873723.db2.gz HNGUKYSGESALPV-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[NH+](CCC)[C@@H](C)[C@H](C)[NH2+]C 43814751 573874801 /nfs/dbraw/zinc/87/48/01/573874801.db2.gz WNYMGQGEBWWHPZ-QWRGUYRKSA-N 2 2 186.343 2.105 10 0 AEAELP CCC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH2+]C 43967419 573876856 /nfs/dbraw/zinc/87/68/56/573876856.db2.gz KYWVQKYLIYQTMO-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH2+]C 43967419 573876860 /nfs/dbraw/zinc/87/68/60/573876860.db2.gz KYWVQKYLIYQTMO-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+](CC1CC1)[C@H](C)[C@@H](C)[NH2+]C 43967420 573876887 /nfs/dbraw/zinc/87/68/87/573876887.db2.gz KYWVQKYLIYQTMO-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)[NH2+]C 43967420 573876894 /nfs/dbraw/zinc/87/68/94/573876894.db2.gz KYWVQKYLIYQTMO-GHMZBOCLSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[NH2+][C@H](CC)[C@H](C)n1cc[nH+]c1 43992672 573878877 /nfs/dbraw/zinc/87/88/77/573878877.db2.gz MACXVRKKHXLOTC-WDEREUQCSA-N 2 2 195.310 2.222 10 0 AEAELP CCC[NH2+][C@H](CC)[C@@H](C)n1cc[nH+]c1 43992668 573879003 /nfs/dbraw/zinc/87/90/03/573879003.db2.gz MACXVRKKHXLOTC-GHMZBOCLSA-N 2 2 195.310 2.222 10 0 AEAELP C[C@H](CC[NH3+])c1[nH]c(C2CCC2)c[nH+]1 258989211 573894195 /nfs/dbraw/zinc/89/41/95/573894195.db2.gz AVAACGMPAZWCRV-MRVPVSSYSA-N 2 2 193.294 2.130 10 0 AEAELP [NH3+]C1(c2ccccc2-c2c[nH]c[nH+]2)CC1 258178269 573903657 /nfs/dbraw/zinc/90/36/57/573903657.db2.gz UWBCSVVXUFPVNS-UHFFFAOYSA-N 2 2 199.257 2.025 10 0 AEAELP CCC[NH2+]CC[N@@H+]1CCC[C@@H](CC)C1 44380940 573906025 /nfs/dbraw/zinc/90/60/25/573906025.db2.gz CLTNXMOEKYJGPF-GFCCVEGCSA-N 2 2 198.354 2.108 10 0 AEAELP CCC[NH2+]CC[N@H+]1CCC[C@@H](CC)C1 44380940 573906028 /nfs/dbraw/zinc/90/60/28/573906028.db2.gz CLTNXMOEKYJGPF-GFCCVEGCSA-N 2 2 198.354 2.108 10 0 AEAELP CCC[NH2+]CC[N@H+]1CCC[C@H](CC)C1 44380935 573908281 /nfs/dbraw/zinc/90/82/81/573908281.db2.gz CLTNXMOEKYJGPF-LBPRGKRZSA-N 2 2 198.354 2.108 10 0 AEAELP CC[NH2+][C@@H](C)C[N@H+](CC)C1CCCC1 44471986 573907917 /nfs/dbraw/zinc/90/79/17/573907917.db2.gz 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/nfs/dbraw/zinc/91/76/73/573917673.db2.gz QZNGJBSKIAHWPB-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCCCC[NH2+]C[C@H]1CCCC[N@H+]1C 44561506 573917678 /nfs/dbraw/zinc/91/76/78/573917678.db2.gz QZNGJBSKIAHWPB-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CC(C)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C 44562012 573917802 /nfs/dbraw/zinc/91/78/02/573917802.db2.gz GGRCYSXQLSWXGQ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[NH2+]C[C@@H]1CCCC[N@H+]1C 44562012 573917803 /nfs/dbraw/zinc/91/78/03/573917803.db2.gz GGRCYSXQLSWXGQ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](CC)[N@H+](C)C[C@@H]1CCC[NH2+]1 233283772 573917862 /nfs/dbraw/zinc/91/78/62/573917862.db2.gz RHYRDWAOLNVLEW-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[N@@H+](C)C[C@@H]1CCC[NH2+]1 233283772 573917866 /nfs/dbraw/zinc/91/78/66/573917866.db2.gz RHYRDWAOLNVLEW-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@]1([C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 258180656 573918056 /nfs/dbraw/zinc/91/80/56/573918056.db2.gz 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10 0 AEAELP CC(C)C[N@@H+](C(C)C)[C@H]1CCC[NH2+]C1 42584385 573977441 /nfs/dbraw/zinc/97/74/41/573977441.db2.gz OCOPDFFSBQBNHL-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[N@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 42581672 573981581 /nfs/dbraw/zinc/98/15/81/573981581.db2.gz AMUYSUJROPFIDH-NWDGAFQWSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 42581672 573981584 /nfs/dbraw/zinc/98/15/84/573981584.db2.gz AMUYSUJROPFIDH-NWDGAFQWSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](CC1CC1)C(C)C 42581911 573982182 /nfs/dbraw/zinc/98/21/82/573982182.db2.gz XWXBHFFOMATGCG-ZYHUDNBSSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](CC1CC1)C(C)C 42581911 573982187 /nfs/dbraw/zinc/98/21/87/573982187.db2.gz XWXBHFFOMATGCG-ZYHUDNBSSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC1CC1)C(C)C 42581908 573982269 /nfs/dbraw/zinc/98/22/69/573982269.db2.gz XWXBHFFOMATGCG-PWSUYJOCSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC1CC1)C(C)C 42581908 573982271 /nfs/dbraw/zinc/98/22/71/573982271.db2.gz XWXBHFFOMATGCG-PWSUYJOCSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 45655383 573992147 /nfs/dbraw/zinc/99/21/47/573992147.db2.gz IGLHXTCMWVLXFP-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 45655383 573992152 /nfs/dbraw/zinc/99/21/52/573992152.db2.gz IGLHXTCMWVLXFP-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45651173 573992374 /nfs/dbraw/zinc/99/23/74/573992374.db2.gz ZBSRCQPUZIJUPG-RYUDHWBXSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 45651173 573992379 /nfs/dbraw/zinc/99/23/79/573992379.db2.gz ZBSRCQPUZIJUPG-RYUDHWBXSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45651171 573992251 /nfs/dbraw/zinc/99/22/51/573992251.db2.gz ZBSRCQPUZIJUPG-NEPJUHHUSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 45651171 573992256 /nfs/dbraw/zinc/99/22/56/573992256.db2.gz ZBSRCQPUZIJUPG-NEPJUHHUSA-N 2 2 198.354 2.103 10 0 AEAELP CCCCC[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649972 573992271 /nfs/dbraw/zinc/99/22/71/573992271.db2.gz PGEHRTHSVXEIMC-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CCCCC[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649972 573992277 /nfs/dbraw/zinc/99/22/77/573992277.db2.gz PGEHRTHSVXEIMC-GFCCVEGCSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)CC[NH2+][C@H]1CC[N@H+](C(C)C)C1 45650215 573994385 /nfs/dbraw/zinc/99/43/85/573994385.db2.gz SFYSAOURJOHSGS-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@@H](C)[NH2+]CC[N@H+](C)C1CCC1 127925900 573994109 /nfs/dbraw/zinc/99/41/09/573994109.db2.gz GZIIIGJEMMGBFQ-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@@H](C)[NH2+]CC[N@@H+](C)C1CCC1 127925900 573994110 /nfs/dbraw/zinc/99/41/10/573994110.db2.gz GZIIIGJEMMGBFQ-LLVKDONJSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45651167 573994130 /nfs/dbraw/zinc/99/41/30/573994130.db2.gz ZBSRCQPUZIJUPG-VXGBXAGGSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45651167 573994134 /nfs/dbraw/zinc/99/41/34/573994134.db2.gz ZBSRCQPUZIJUPG-VXGBXAGGSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[N@@H+]1CCCC[C@H]1C1([NH3+])CCC1 258197172 573994364 /nfs/dbraw/zinc/99/43/64/573994364.db2.gz YZMGMPBMTKXJBF-NSHDSACASA-N 2 2 196.338 2.131 10 0 AEAELP CC(C)[N@H+]1CCCC[C@H]1C1([NH3+])CCC1 258197172 573994369 /nfs/dbraw/zinc/99/43/69/573994369.db2.gz YZMGMPBMTKXJBF-NSHDSACASA-N 2 2 196.338 2.131 10 0 AEAELP CC(C)CC[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45650215 573994381 /nfs/dbraw/zinc/99/43/81/573994381.db2.gz SFYSAOURJOHSGS-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@@H](C)[NH2+]CC[N@H+](C)C1CCC1 127945309 573994474 /nfs/dbraw/zinc/99/44/74/573994474.db2.gz YHFVGEXYRFPBQP-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCC1 127945309 573994481 /nfs/dbraw/zinc/99/44/81/573994481.db2.gz YHFVGEXYRFPBQP-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[NH2+]CC[N@H+](C)C1CCC1 127942726 573996965 /nfs/dbraw/zinc/99/69/65/573996965.db2.gz IUCWDJDLQXAZHH-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[NH2+]CC[N@@H+](C)C1CCC1 127942726 573996970 /nfs/dbraw/zinc/99/69/70/573996970.db2.gz IUCWDJDLQXAZHH-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[NH2+]CC[N@@H+](C)C1CCC1 127925141 573996092 /nfs/dbraw/zinc/99/60/92/573996092.db2.gz VPZSLCIPIPPVAH-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)[NH2+]CC[N@H+](C)C1CCC1 127925141 573996087 /nfs/dbraw/zinc/99/60/87/573996087.db2.gz VPZSLCIPIPPVAH-UHFFFAOYSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+]C[C@H](C(C)C)[N@H+](C)C1CCC1 127906765 573997082 /nfs/dbraw/zinc/99/70/82/573997082.db2.gz BHCPRWZEKJSJBY-GFCCVEGCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](C)C1CCC1 127906765 573997088 /nfs/dbraw/zinc/99/70/88/573997088.db2.gz BHCPRWZEKJSJBY-GFCCVEGCSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[N@H+](C[C@@H]1CCC[NH2+]1)C(C)C 42593425 573999300 /nfs/dbraw/zinc/99/93/00/573999300.db2.gz FVCGLDSDLKPZMD-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] 42592994 573998396 /nfs/dbraw/zinc/99/83/96/573998396.db2.gz DBVDGQGGHFSTPW-SNVBAGLBSA-N 2 2 186.343 2.090 10 0 AEAELP CC(C)C[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] 42592994 573998403 /nfs/dbraw/zinc/99/84/03/573998403.db2.gz DBVDGQGGHFSTPW-SNVBAGLBSA-N 2 2 186.343 2.090 10 0 AEAELP CC(C)C[N@@H+](C[C@@H]1CCC[NH2+]1)C(C)C 42593425 573999305 /nfs/dbraw/zinc/99/93/05/573999305.db2.gz FVCGLDSDLKPZMD-LBPRGKRZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@@H]([NH3+])c1ccc2[nH+]ccn2c1 104488334 574004531 /nfs/dbraw/zinc/00/45/31/574004531.db2.gz FRUOCUUUNASADE-SNVBAGLBSA-N 2 2 189.262 2.134 10 0 AEAELP Cc1[nH+]cccc1[C@H]1CC[NH2+]C[C@@H]1C 715226207 574035937 /nfs/dbraw/zinc/03/59/37/574035937.db2.gz JNZAHCHWJSOVMX-ONGXEEELSA-N 2 2 190.290 2.103 10 0 AEAELP CCCC[N@@H+]1CCC[C@H]([NH2+]C)C1(C)C 259291330 574037237 /nfs/dbraw/zinc/03/72/37/574037237.db2.gz HCGGTLRCINBIIX-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+]1CCC[C@H]([NH2+]C)C1(C)C 259291330 574037240 /nfs/dbraw/zinc/03/72/40/574037240.db2.gz HCGGTLRCINBIIX-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1(C)C 259291327 574037449 /nfs/dbraw/zinc/03/74/49/574037449.db2.gz HCGGTLRCINBIIX-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+]1CCC[C@@H]([NH2+]C)C1(C)C 259291327 574037452 /nfs/dbraw/zinc/03/74/52/574037452.db2.gz HCGGTLRCINBIIX-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(CC)C[C@H]([NH3+])c1c[nH+]cn1C 128249783 574042851 /nfs/dbraw/zinc/04/28/51/574042851.db2.gz DCPOMIGZPIVLPJ-JTQLQIEISA-N 2 2 195.310 2.246 10 0 AEAELP CCC(CC)C[C@@H]([NH3+])c1c[nH+]cn1C 128250033 574043087 /nfs/dbraw/zinc/04/30/87/574043087.db2.gz DCPOMIGZPIVLPJ-SNVBAGLBSA-N 2 2 195.310 2.246 10 0 AEAELP CC(C)(C)C(C)(C)[N@@H+]1CCC[NH2+]CC1 113105920 574045687 /nfs/dbraw/zinc/04/56/87/574045687.db2.gz SZFQAGPEHBKPPW-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)(C)C(C)(C)[N@H+]1CCC[NH2+]CC1 113105920 574045689 /nfs/dbraw/zinc/04/56/89/574045689.db2.gz SZFQAGPEHBKPPW-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCCCCC1 20071966 486713373 /nfs/dbraw/zinc/71/33/73/486713373.db2.gz HFTLELDGGLCTQT-GFCCVEGCSA-N 2 2 198.354 2.236 10 0 AEAELP CC(C)C[C@H]([NH3+])C[NH+]1CCCCCC1 20071968 486714268 /nfs/dbraw/zinc/71/42/68/486714268.db2.gz HFTLELDGGLCTQT-LBPRGKRZSA-N 2 2 198.354 2.236 10 0 AEAELP CC(C)C[NH2+]CC[N@@H+]1CCCC[C@H]1C 52378606 486745904 /nfs/dbraw/zinc/74/59/04/486745904.db2.gz FBXVLGNEKWIWGJ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)C[NH2+]CC[N@H+]1CCCC[C@H]1C 52378606 486745906 /nfs/dbraw/zinc/74/59/06/486745906.db2.gz FBXVLGNEKWIWGJ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)C[NH2+]CC[N@@H+]1CCCC[C@@H]1C 52378608 486746608 /nfs/dbraw/zinc/74/66/08/486746608.db2.gz FBXVLGNEKWIWGJ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)C[NH2+]CC[N@H+]1CCCC[C@@H]1C 52378608 486746614 /nfs/dbraw/zinc/74/66/14/486746614.db2.gz FBXVLGNEKWIWGJ-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP C[N@@H+]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 61839592 486763326 /nfs/dbraw/zinc/76/33/26/486763326.db2.gz XOJBFQAXLUBZRG-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[N@H+]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 61839592 486763331 /nfs/dbraw/zinc/76/33/31/486763331.db2.gz XOJBFQAXLUBZRG-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP C[N@@H+]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 61839593 486763373 /nfs/dbraw/zinc/76/33/73/486763373.db2.gz XOJBFQAXLUBZRG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[N@H+]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 61839593 486763377 /nfs/dbraw/zinc/76/33/77/486763377.db2.gz XOJBFQAXLUBZRG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCCC1 69804412 486775611 /nfs/dbraw/zinc/77/56/11/486775611.db2.gz AWUQCZNEUQNCMP-SECBINFHSA-N 2 2 193.294 2.078 10 0 AEAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCCC1 69804410 486775977 /nfs/dbraw/zinc/77/59/77/486775977.db2.gz AWUQCZNEUQNCMP-VIFPVBQESA-N 2 2 193.294 2.078 10 0 AEAELP C[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)CC1 83426980 486834602 /nfs/dbraw/zinc/83/46/02/486834602.db2.gz IKINFKIFGYFOLZ-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP C[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)CC1 83426983 486834898 /nfs/dbraw/zinc/83/48/98/486834898.db2.gz IKINFKIFGYFOLZ-NWDGAFQWSA-N 2 2 198.354 2.106 10 0 AEAELP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)CC1 83426982 486834915 /nfs/dbraw/zinc/83/49/15/486834915.db2.gz IKINFKIFGYFOLZ-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP C[C@H]1CCC[C@H]([NH2+]CC[NH+](C)C)CC1 83426981 486835052 /nfs/dbraw/zinc/83/50/52/486835052.db2.gz IKINFKIFGYFOLZ-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[NH+](C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC 680986336 487002415 /nfs/dbraw/zinc/00/24/15/487002415.db2.gz AEQYOBYCBZORQM-VXGBXAGGSA-N 2 2 198.354 2.201 10 0 AEAELP CC[NH+](C)[C@@H]1CCCC[C@H]1[N@H+](C)CC 680986336 487002419 /nfs/dbraw/zinc/00/24/19/487002419.db2.gz AEQYOBYCBZORQM-VXGBXAGGSA-N 2 2 198.354 2.201 10 0 AEAELP CC[NH+](C)[C@H]1CCCC[C@@H]1[N@@H+](C)CC 213013412 487023535 /nfs/dbraw/zinc/02/35/35/487023535.db2.gz AEQYOBYCBZORQM-RYUDHWBXSA-N 2 2 198.354 2.201 10 0 AEAELP CC[NH+](C)[C@H]1CCCC[C@@H]1[N@H+](C)CC 213013412 487023538 /nfs/dbraw/zinc/02/35/38/487023538.db2.gz AEQYOBYCBZORQM-RYUDHWBXSA-N 2 2 198.354 2.201 10 0 AEAELP C[N@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C 220636059 487030894 /nfs/dbraw/zinc/03/08/94/487030894.db2.gz BKJSGZCHAKLKDA-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[N@@H+]1CCC[C@H]1C[NH2+]CCC(C)(C)C 220636059 487030886 /nfs/dbraw/zinc/03/08/86/487030886.db2.gz BKJSGZCHAKLKDA-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@H+](C)CCCc1ccc(C)[nH+]c1 684356365 487118372 /nfs/dbraw/zinc/11/83/72/487118372.db2.gz YGJWSNXXLFXZCJ-UHFFFAOYSA-N 2 2 192.306 2.274 10 0 AEAELP CC[N@@H+](C)CCCc1ccc(C)[nH+]c1 684356365 487118374 /nfs/dbraw/zinc/11/83/74/487118374.db2.gz YGJWSNXXLFXZCJ-UHFFFAOYSA-N 2 2 192.306 2.274 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 328326350 487226966 /nfs/dbraw/zinc/22/69/66/487226966.db2.gz GDRPIRKCWYZSKQ-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 328326350 487226970 /nfs/dbraw/zinc/22/69/70/487226970.db2.gz GDRPIRKCWYZSKQ-QJPTWQEYSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 328326351 487227318 /nfs/dbraw/zinc/22/73/18/487227318.db2.gz GDRPIRKCWYZSKQ-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 328326351 487227323 /nfs/dbraw/zinc/22/73/23/487227323.db2.gz GDRPIRKCWYZSKQ-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 328196585 487227355 /nfs/dbraw/zinc/22/73/55/487227355.db2.gz QUFGNGRHOHBOGO-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 328196585 487227358 /nfs/dbraw/zinc/22/73/58/487227358.db2.gz QUFGNGRHOHBOGO-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 328326353 487227570 /nfs/dbraw/zinc/22/75/70/487227570.db2.gz GDRPIRKCWYZSKQ-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 328326353 487227572 /nfs/dbraw/zinc/22/75/72/487227572.db2.gz GDRPIRKCWYZSKQ-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)C)C1 328196584 487227598 /nfs/dbraw/zinc/22/75/98/487227598.db2.gz QUFGNGRHOHBOGO-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)C)C1 328196584 487227600 /nfs/dbraw/zinc/22/76/00/487227600.db2.gz QUFGNGRHOHBOGO-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 328326354 487227634 /nfs/dbraw/zinc/22/76/34/487227634.db2.gz GDRPIRKCWYZSKQ-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 328326354 487227637 /nfs/dbraw/zinc/22/76/37/487227637.db2.gz GDRPIRKCWYZSKQ-TUAOUCFPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)C)C1 328196586 487227659 /nfs/dbraw/zinc/22/76/59/487227659.db2.gz QUFGNGRHOHBOGO-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)C)C1 328196586 487227662 /nfs/dbraw/zinc/22/76/62/487227662.db2.gz QUFGNGRHOHBOGO-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)C)C1 328196587 487227666 /nfs/dbraw/zinc/22/76/66/487227666.db2.gz QUFGNGRHOHBOGO-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)C)C1 328196587 487227669 /nfs/dbraw/zinc/22/76/69/487227669.db2.gz QUFGNGRHOHBOGO-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C1 328529106 487227999 /nfs/dbraw/zinc/22/79/99/487227999.db2.gz WGTSSWFXIQXOIU-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C)C1 328529106 487228001 /nfs/dbraw/zinc/22/80/01/487228001.db2.gz WGTSSWFXIQXOIU-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP 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CC(C)CCCCC[N@@H+]1CC[C@H]1C[NH3+] 757144372 582943763 /nfs/dbraw/zinc/94/37/63/582943763.db2.gz JRDRSSWQZCLREN-LBPRGKRZSA-N 2 2 198.354 2.236 10 0 AEAELP CC(C)CCCCC[N@H+]1CC[C@H]1C[NH3+] 757144372 582943764 /nfs/dbraw/zinc/94/37/64/582943764.db2.gz JRDRSSWQZCLREN-LBPRGKRZSA-N 2 2 198.354 2.236 10 0 AEAELP CC[N@H+](C)CCCc1c[nH+]ccc1C 809543582 582961544 /nfs/dbraw/zinc/96/15/44/582961544.db2.gz RVOMVJIBVYYWNI-UHFFFAOYSA-N 2 2 192.306 2.274 10 0 AEAELP CC[N@@H+](C)CCCc1c[nH+]ccc1C 809543582 582961545 /nfs/dbraw/zinc/96/15/45/582961545.db2.gz RVOMVJIBVYYWNI-UHFFFAOYSA-N 2 2 192.306 2.274 10 0 AEAELP CC(C)CCCC[NH2+][C@@H]1CC[N@H+](C)C1 132002826 583466720 /nfs/dbraw/zinc/46/67/20/583466720.db2.gz PQLYUULOGALZSC-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CCCC[NH2+][C@@H]1CC[N@@H+](C)C1 132002826 583466724 /nfs/dbraw/zinc/46/67/24/583466724.db2.gz PQLYUULOGALZSC-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CCCC[NH2+][C@H]1CC[N@H+](C)C1 132003015 583467605 /nfs/dbraw/zinc/46/76/05/583467605.db2.gz PQLYUULOGALZSC-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CCCC[NH2+][C@H]1CC[N@@H+](C)C1 132003015 583467607 /nfs/dbraw/zinc/46/76/07/583467607.db2.gz PQLYUULOGALZSC-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCCCC[N@@H+]1CC[NH2+]CCC1(C)C 219729214 583499634 /nfs/dbraw/zinc/49/96/34/583499634.db2.gz SRUAHVCCRISEEG-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CCCCC[N@H+]1CC[NH2+]CCC1(C)C 219729214 583499639 /nfs/dbraw/zinc/49/96/39/583499639.db2.gz SRUAHVCCRISEEG-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CC(C)CC[N@@H+]1CC[NH2+]CCC1(C)C 219729115 583499735 /nfs/dbraw/zinc/49/97/35/583499735.db2.gz JZFIWGMEYMQOEG-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[N@H+]1CC[NH2+]CCC1(C)C 219729115 583499736 /nfs/dbraw/zinc/49/97/36/583499736.db2.gz JZFIWGMEYMQOEG-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 134281620 491038796 /nfs/dbraw/zinc/03/87/96/491038796.db2.gz YIXRSLIHTLJSKU-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 134281694 491038673 /nfs/dbraw/zinc/03/86/73/491038673.db2.gz YIXRSLIHTLJSKU-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 134281694 491038674 /nfs/dbraw/zinc/03/86/74/491038674.db2.gz YIXRSLIHTLJSKU-RYUDHWBXSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 134281644 491038662 /nfs/dbraw/zinc/03/86/62/491038662.db2.gz YIXRSLIHTLJSKU-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 134281644 491038663 /nfs/dbraw/zinc/03/86/63/491038663.db2.gz YIXRSLIHTLJSKU-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 134281668 491038698 /nfs/dbraw/zinc/03/86/98/491038698.db2.gz YIXRSLIHTLJSKU-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 134281668 491038699 /nfs/dbraw/zinc/03/86/99/491038699.db2.gz YIXRSLIHTLJSKU-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 134281620 491038797 /nfs/dbraw/zinc/03/87/97/491038797.db2.gz YIXRSLIHTLJSKU-VXGBXAGGSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308595588 491113695 /nfs/dbraw/zinc/11/36/95/491113695.db2.gz MFTCINYBRYWKOA-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C 308566003 491111857 /nfs/dbraw/zinc/11/18/57/491111857.db2.gz AQUDUAQPBZWPOQ-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C 308566003 491111858 /nfs/dbraw/zinc/11/18/58/491111858.db2.gz AQUDUAQPBZWPOQ-JQWIXIFHSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 308565994 491111889 /nfs/dbraw/zinc/11/18/89/491111889.db2.gz AQUDUAQPBZWPOQ-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C 308565994 491111890 /nfs/dbraw/zinc/11/18/90/491111890.db2.gz AQUDUAQPBZWPOQ-CMPLNLGQSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C 308566014 491111896 /nfs/dbraw/zinc/11/18/96/491111896.db2.gz AQUDUAQPBZWPOQ-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C 308566014 491111897 /nfs/dbraw/zinc/11/18/97/491111897.db2.gz AQUDUAQPBZWPOQ-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C 308566026 491111958 /nfs/dbraw/zinc/11/19/58/491111958.db2.gz AQUDUAQPBZWPOQ-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CCC(CC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C 308566026 491111961 /nfs/dbraw/zinc/11/19/61/491111961.db2.gz AQUDUAQPBZWPOQ-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH+](C)C(C)(C)C[NH2+]CC1(C)CCC1 308578230 491112466 /nfs/dbraw/zinc/11/24/66/491112466.db2.gz NSKAENMRLNBNDS-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 308595587 491113616 /nfs/dbraw/zinc/11/36/16/491113616.db2.gz MFTCINYBRYWKOA-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 308595587 491113617 /nfs/dbraw/zinc/11/36/17/491113617.db2.gz MFTCINYBRYWKOA-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308595585 491113630 /nfs/dbraw/zinc/11/36/30/491113630.db2.gz MFTCINYBRYWKOA-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308595585 491113631 /nfs/dbraw/zinc/11/36/31/491113631.db2.gz MFTCINYBRYWKOA-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](CC)[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308595588 491113693 /nfs/dbraw/zinc/11/36/93/491113693.db2.gz MFTCINYBRYWKOA-WOPDTQHZSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308595584 491113704 /nfs/dbraw/zinc/11/37/04/491113704.db2.gz MFTCINYBRYWKOA-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](CC)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308595584 491113706 /nfs/dbraw/zinc/11/37/06/491113706.db2.gz MFTCINYBRYWKOA-GRYCIOLGSA-N 2 2 198.354 2.105 10 0 AEAELP C[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1 227597776 1188788760 /nfs/dbraw/zinc/78/87/60/1188788760.db2.gz OAZWLOJISPSAHZ-IJLUTSLNSA-N 2 2 198.354 2.105 10 0 AEAELP C[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+](C)C)C1 227597783 1188789366 /nfs/dbraw/zinc/78/93/66/1188789366.db2.gz OAZWLOJISPSAHZ-UTUOFQBUSA-N 2 2 198.354 2.105 10 0 AEAELP Cc1cc(C2=CCC[NH2+]C2)cc(C)[nH+]1 306544116 1188799633 /nfs/dbraw/zinc/79/96/33/1188799633.db2.gz UIOZWCSEZUADBW-UHFFFAOYSA-N 2 2 188.274 2.075 10 0 AEAELP C[C@@H](C[NH2+]CC1(C)CCCC1)[NH+](C)C 379566421 697899627 /nfs/dbraw/zinc/89/96/27/697899627.db2.gz CPKOTHJAMWLEHG-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP C[C@H](C[NH2+]CC1(C)CCCC1)[NH+](C)C 379566417 697899724 /nfs/dbraw/zinc/89/97/24/697899724.db2.gz CPKOTHJAMWLEHG-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH+](CCC)[C@@H]1CCCC[C@H]1[NH3+] 19396948 343053971 /nfs/dbraw/zinc/05/39/71/343053971.db2.gz ZMRBYUCFPRTGMI-VXGBXAGGSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@H+](C)C(C)C)C1 22564393 343081925 /nfs/dbraw/zinc/08/19/25/343081925.db2.gz RXZOIICJDTZVTB-UTUOFQBUSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@@H+](C)C(C)C)C1 22564393 343081926 /nfs/dbraw/zinc/08/19/26/343081926.db2.gz RXZOIICJDTZVTB-UTUOFQBUSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+](C)C(C)C)C1 22564402 343081937 /nfs/dbraw/zinc/08/19/37/343081937.db2.gz RXZOIICJDTZVTB-WOPDTQHZSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+](C)C(C)C)C1 22564402 343081938 /nfs/dbraw/zinc/08/19/38/343081938.db2.gz RXZOIICJDTZVTB-WOPDTQHZSA-N 2 2 198.354 2.233 10 0 AEAELP C[N@H+](C1CCCC1)[C@@H]1CCCC[C@@H]1[NH3+] 37084350 343159188 /nfs/dbraw/zinc/15/91/88/343159188.db2.gz PLUYMGXIPOZQNC-NWDGAFQWSA-N 2 2 196.338 2.131 10 0 AEAELP C[N@@H+](C1CCCC1)[C@@H]1CCCC[C@@H]1[NH3+] 37084350 343159189 /nfs/dbraw/zinc/15/91/89/343159189.db2.gz PLUYMGXIPOZQNC-NWDGAFQWSA-N 2 2 196.338 2.131 10 0 AEAELP C[N@H+](C1CCCC1)[C@H]1CCCC[C@@H]1[NH3+] 37084351 343159196 /nfs/dbraw/zinc/15/91/96/343159196.db2.gz PLUYMGXIPOZQNC-RYUDHWBXSA-N 2 2 196.338 2.131 10 0 AEAELP C[N@@H+](C1CCCC1)[C@H]1CCCC[C@@H]1[NH3+] 37084351 343159197 /nfs/dbraw/zinc/15/91/97/343159197.db2.gz PLUYMGXIPOZQNC-RYUDHWBXSA-N 2 2 196.338 2.131 10 0 AEAELP CC[C@@H]1CCC[N@@H+]1CC1([NH3+])CCCC1 37914225 343181018 /nfs/dbraw/zinc/18/10/18/343181018.db2.gz DXKZONNWPYWVKX-LLVKDONJSA-N 2 2 196.338 2.132 10 0 AEAELP CC[C@@H]1CCC[N@H+]1CC1([NH3+])CCCC1 37914225 343181019 /nfs/dbraw/zinc/18/10/19/343181019.db2.gz DXKZONNWPYWVKX-LLVKDONJSA-N 2 2 196.338 2.132 10 0 AEAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 37913604 343180969 /nfs/dbraw/zinc/18/09/69/343180969.db2.gz DVTYOOUILGORNG-GRYCIOLGSA-N 2 2 196.338 2.131 10 0 AEAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 37913604 343180970 /nfs/dbraw/zinc/18/09/70/343180970.db2.gz DVTYOOUILGORNG-GRYCIOLGSA-N 2 2 196.338 2.131 10 0 AEAELP CCC(CC)C[NH2+][C@H]1CCC[N@H+](C)C1 40671786 343220906 /nfs/dbraw/zinc/22/09/06/343220906.db2.gz HAEMAAYCAHYCBG-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)C[NH2+][C@H]1CCC[N@@H+](C)C1 40671786 343220907 /nfs/dbraw/zinc/22/09/07/343220907.db2.gz HAEMAAYCAHYCBG-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)C1CCCCCC1 41053870 343228541 /nfs/dbraw/zinc/22/85/41/343228541.db2.gz JGJFTQUZGRINMK-QWRGUYRKSA-N 2 2 198.354 2.377 10 0 AEAELP C[C@H]1CCCC[C@H]1[N@H+](C)CC(C)(C)[NH3+] 42611035 343248286 /nfs/dbraw/zinc/24/82/86/343248286.db2.gz IHVIOCCASACVFU-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@H]1CCCC[C@H]1[N@@H+](C)CC(C)(C)[NH3+] 42611035 343248287 /nfs/dbraw/zinc/24/82/87/343248287.db2.gz IHVIOCCASACVFU-WDEREUQCSA-N 2 2 198.354 2.234 10 0 AEAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[NH+](C)C 43247508 343250818 /nfs/dbraw/zinc/25/08/18/343250818.db2.gz YKVGEDYGVNLHBL-DTWKUNHWSA-N 2 2 198.335 2.006 10 0 AEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)s1 43239349 343250820 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CCC[NH2+][C@H](CCC)C[N@H+](C)CC 50184726 167000310 /nfs/dbraw/zinc/00/03/10/167000310.db2.gz FTTMTRIHFLSFRQ-LLVKDONJSA-N 2 2 186.343 2.106 10 0 AEAELP CCC[NH2+][C@H](CCC)C[N@@H+](C)CC 50184726 167000312 /nfs/dbraw/zinc/00/03/12/167000312.db2.gz FTTMTRIHFLSFRQ-LLVKDONJSA-N 2 2 186.343 2.106 10 0 AEAELP CCC[NH2+][C@H](C)CCCn1cc[nH+]c1 45603831 167000849 /nfs/dbraw/zinc/00/08/49/167000849.db2.gz PZUOSOZMUFOKAN-LLVKDONJSA-N 2 2 195.310 2.051 10 0 AEAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)C1CC1 43823596 167000940 /nfs/dbraw/zinc/00/09/40/167000940.db2.gz RKYDNYWJURLMBZ-ZYHUDNBSSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)C1CC1 43823596 167000943 /nfs/dbraw/zinc/00/09/43/167000943.db2.gz RKYDNYWJURLMBZ-ZYHUDNBSSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[NH2+][C@H](C[NH3+])c1sccc1C 50270487 167001981 /nfs/dbraw/zinc/00/19/81/167001981.db2.gz SOIAFYNGOVUFMH-SECBINFHSA-N 2 2 198.335 2.056 10 0 AEAELP CCC[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 40494677 167003585 /nfs/dbraw/zinc/00/35/85/167003585.db2.gz KCAJDPSZRKRLNP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 40494677 167003587 /nfs/dbraw/zinc/00/35/87/167003587.db2.gz KCAJDPSZRKRLNP-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 40672497 167030173 /nfs/dbraw/zinc/03/01/73/167030173.db2.gz DVGGTAZTYUNPDD-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 40672497 167030176 /nfs/dbraw/zinc/03/01/76/167030176.db2.gz DVGGTAZTYUNPDD-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 40672495 167030246 /nfs/dbraw/zinc/03/02/46/167030246.db2.gz DVGGTAZTYUNPDD-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 40672495 167030249 /nfs/dbraw/zinc/03/02/49/167030249.db2.gz DVGGTAZTYUNPDD-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43896260 167031525 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167082675 /nfs/dbraw/zinc/08/26/75/167082675.db2.gz ANCKKLCFOASPNK-LBPRGKRZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H]([NH3+])C[N@@H+](CC1CC1)C(C)C 42593646 167082678 /nfs/dbraw/zinc/08/26/78/167082678.db2.gz ANCKKLCFOASPNK-LBPRGKRZSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[C@H]([NH3+])[C@@H](CC)[NH+](CC)CC 19262731 167082937 /nfs/dbraw/zinc/08/29/37/167082937.db2.gz ZCCQMMYLFSJOKI-WDEREUQCSA-N 2 2 186.343 2.234 10 0 AEAELP CCC[C@H]([NH3+])[C@@H](CC)[NH+]1CCCCC1 19273744 167083569 /nfs/dbraw/zinc/08/35/69/167083569.db2.gz FEPBPXNGPOMACQ-NWDGAFQWSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@](C)([NH3+])C[N@@H+]1CCCC[C@@H]1C 37480789 167092672 /nfs/dbraw/zinc/09/26/72/167092672.db2.gz SMKKIESSCALMGE-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@](C)([NH3+])C[N@H+]1CCCC[C@@H]1C 37480789 167092673 /nfs/dbraw/zinc/09/26/73/167092673.db2.gz SMKKIESSCALMGE-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CCC[C@](C)([NH3+])C[N@@H+]1CCC[C@H](C)C1 37480809 167093777 /nfs/dbraw/zinc/09/37/77/167093777.db2.gz 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AEAELP CC[N@@H+](C(C)C)[C@H]1CCCCC[C@@H]1[NH3+] 37082070 167130678 /nfs/dbraw/zinc/13/06/78/167130678.db2.gz KQWZECZMYDOGGL-RYUDHWBXSA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1[NH2+]C 43824237 167131449 /nfs/dbraw/zinc/13/14/49/167131449.db2.gz DGNQPMPZYSNEIL-NWDGAFQWSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1[NH2+]C 43824237 167131451 /nfs/dbraw/zinc/13/14/51/167131451.db2.gz DGNQPMPZYSNEIL-NWDGAFQWSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1[NH2+]C 43824240 167131746 /nfs/dbraw/zinc/13/17/46/167131746.db2.gz DGNQPMPZYSNEIL-RYUDHWBXSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1[NH2+]C 43824240 167131748 /nfs/dbraw/zinc/13/17/48/167131748.db2.gz DGNQPMPZYSNEIL-RYUDHWBXSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](C)CC[NH2+]C1CCCCCC1 49938237 167141566 /nfs/dbraw/zinc/14/15/66/167141566.db2.gz UWDSAPQWYSQIQM-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CC[N@@H+](C)CC[NH2+]C1CCCCCC1 49938237 167141569 /nfs/dbraw/zinc/14/15/69/167141569.db2.gz UWDSAPQWYSQIQM-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CC[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] 42901056 167144013 /nfs/dbraw/zinc/14/40/13/167144013.db2.gz DHRZWOVMFJGDBK-ZYHUDNBSSA-N 2 2 192.306 2.027 10 0 AEAELP CC[N@@H+](C)[C@@H](c1ccccc1)[C@@H](C)[NH3+] 42901056 167144018 /nfs/dbraw/zinc/14/40/18/167144018.db2.gz DHRZWOVMFJGDBK-ZYHUDNBSSA-N 2 2 192.306 2.027 10 0 AEAELP CC[N@H+](C)[C@@H](C[NH3+])c1sccc1C 37078412 167144316 /nfs/dbraw/zinc/14/43/16/167144316.db2.gz KUVHVCSZRGSWKD-VIFPVBQESA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@@H+](C)[C@@H](C[NH3+])c1sccc1C 37078412 167144320 /nfs/dbraw/zinc/14/43/20/167144320.db2.gz KUVHVCSZRGSWKD-VIFPVBQESA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@H+](C)[C@@H](c1cccs1)[C@@H](C)[NH3+] 43103303 167146111 /nfs/dbraw/zinc/14/61/11/167146111.db2.gz PKWSGKPKGPBULE-PSASIEDQSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@@H+](C)[C@@H](c1cccs1)[C@@H](C)[NH3+] 43103303 167146113 /nfs/dbraw/zinc/14/61/13/167146113.db2.gz PKWSGKPKGPBULE-PSASIEDQSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccc(C)s1 37078442 167146788 /nfs/dbraw/zinc/14/67/88/167146788.db2.gz FYDLAPKOOSTIOW-VIFPVBQESA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccc(C)s1 37078442 167146790 /nfs/dbraw/zinc/14/67/90/167146790.db2.gz FYDLAPKOOSTIOW-VIFPVBQESA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@H+](C)[C@@H](c1ccsc1)[C@@H](C)[NH3+] 43116476 167147687 /nfs/dbraw/zinc/14/76/87/167147687.db2.gz LFWXHLJCTAJXPS-PSASIEDQSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@@H+](C)[C@@H](c1ccsc1)[C@@H](C)[NH3+] 43116476 167147690 /nfs/dbraw/zinc/14/76/90/167147690.db2.gz LFWXHLJCTAJXPS-PSASIEDQSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@H+](C)[C@H](C[NH3+])c1sccc1C 37078413 167149021 /nfs/dbraw/zinc/14/90/21/167149021.db2.gz KUVHVCSZRGSWKD-SECBINFHSA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@@H+](C)[C@H](C[NH3+])c1sccc1C 37078413 167149026 /nfs/dbraw/zinc/14/90/26/167149026.db2.gz KUVHVCSZRGSWKD-SECBINFHSA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@@H+](C1CC1)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43292094 167150068 /nfs/dbraw/zinc/15/00/68/167150068.db2.gz FLMRINHNSKHEFO-KOLCDFICSA-N 2 2 198.354 2.233 10 0 AEAELP CC[N@H+](C1CC1)[C@@H]([C@@H](C)[NH3+])C(C)(C)C 43292094 167150070 /nfs/dbraw/zinc/15/00/70/167150070.db2.gz FLMRINHNSKHEFO-KOLCDFICSA-N 2 2 198.354 2.233 10 0 AEAELP CC[N@H+](C)[C@H](c1ccsc1)[C@@H](C)[NH3+] 43116480 167150520 /nfs/dbraw/zinc/15/05/20/167150520.db2.gz LFWXHLJCTAJXPS-SCZZXKLOSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@@H+](C)[C@H](c1ccsc1)[C@@H](C)[NH3+] 43116480 167150524 /nfs/dbraw/zinc/15/05/24/167150524.db2.gz LFWXHLJCTAJXPS-SCZZXKLOSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@H+](C)[C@H](C[NH3+])c1ccc(C)s1 37078443 167150955 /nfs/dbraw/zinc/15/09/55/167150955.db2.gz FYDLAPKOOSTIOW-SECBINFHSA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccc(C)s1 37078443 167150957 /nfs/dbraw/zinc/15/09/57/167150957.db2.gz FYDLAPKOOSTIOW-SECBINFHSA-N 2 2 198.335 2.008 10 0 AEAELP CC[N@H+](C)[C@H](c1cccs1)[C@@H](C)[NH3+] 43103307 167151420 /nfs/dbraw/zinc/15/14/20/167151420.db2.gz PKWSGKPKGPBULE-SCZZXKLOSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@@H+](C)[C@H](c1cccs1)[C@@H](C)[NH3+] 43103307 167151425 /nfs/dbraw/zinc/15/14/25/167151425.db2.gz PKWSGKPKGPBULE-SCZZXKLOSA-N 2 2 198.335 2.088 10 0 AEAELP CC[N@H+](C)[C@H](c1ccccc1)[C@@H](C)[NH3+] 42901059 167152018 /nfs/dbraw/zinc/15/20/18/167152018.db2.gz DHRZWOVMFJGDBK-PWSUYJOCSA-N 2 2 192.306 2.027 10 0 AEAELP CC[N@@H+](C)[C@H](c1ccccc1)[C@@H](C)[NH3+] 42901059 167152021 /nfs/dbraw/zinc/15/20/21/167152021.db2.gz DHRZWOVMFJGDBK-PWSUYJOCSA-N 2 2 192.306 2.027 10 0 AEAELP CC[N@@H+](C1CCCC1)[C@@H](C)[C@@H](C)[NH2+]C 43890629 167152917 /nfs/dbraw/zinc/15/29/17/167152917.db2.gz DTAIBZSWDVNREU-MNOVXSKESA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](C1CCCC1)[C@@H](C)[C@@H](C)[NH2+]C 43890629 167152920 /nfs/dbraw/zinc/15/29/20/167152920.db2.gz DTAIBZSWDVNREU-MNOVXSKESA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 35765966 167153080 /nfs/dbraw/zinc/15/30/80/167153080.db2.gz MNRUYVRKENYGOG-NWDGAFQWSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 35765966 167153085 /nfs/dbraw/zinc/15/30/85/167153085.db2.gz MNRUYVRKENYGOG-NWDGAFQWSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@@H+](C1CC1)[C@H]([C@@H](C)[NH3+])C(C)(C)C 43292096 167153253 /nfs/dbraw/zinc/15/32/53/167153253.db2.gz FLMRINHNSKHEFO-MWLCHTKSSA-N 2 2 198.354 2.233 10 0 AEAELP CC[N@H+](C1CC1)[C@H]([C@@H](C)[NH3+])C(C)(C)C 43292096 167153255 /nfs/dbraw/zinc/15/32/55/167153255.db2.gz FLMRINHNSKHEFO-MWLCHTKSSA-N 2 2 198.354 2.233 10 0 AEAELP CC[N@H+](C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] 35765967 167153581 /nfs/dbraw/zinc/15/35/81/167153581.db2.gz MNRUYVRKENYGOG-RYUDHWBXSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] 35765967 167153584 /nfs/dbraw/zinc/15/35/84/167153584.db2.gz MNRUYVRKENYGOG-RYUDHWBXSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@@H+](C1CCCC1)[C@H](C)[C@@H](C)[NH2+]C 43890631 167154661 /nfs/dbraw/zinc/15/46/61/167154661.db2.gz DTAIBZSWDVNREU-GHMZBOCLSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@H+](C1CCCC1)[C@H](C)[C@@H](C)[NH2+]C 43890631 167154664 /nfs/dbraw/zinc/15/46/64/167154664.db2.gz DTAIBZSWDVNREU-GHMZBOCLSA-N 2 2 198.354 2.247 10 0 AEAELP CC[N@@H+](C1CCCCC1)[C@H](C)[C@@H](C)[NH3+] 41053693 167154825 /nfs/dbraw/zinc/15/48/25/167154825.db2.gz FTWMZPQWWZNTDV-GHMZBOCLSA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@H+](C1CCCCC1)[C@H](C)[C@@H](C)[NH3+] 41053693 167154828 /nfs/dbraw/zinc/15/48/28/167154828.db2.gz FTWMZPQWWZNTDV-GHMZBOCLSA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@@H+](C1CCCCC1)[C@@H](C)[C@@H](C)[NH3+] 41053692 167155678 /nfs/dbraw/zinc/15/56/78/167155678.db2.gz FTWMZPQWWZNTDV-MNOVXSKESA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@H+](C1CCCCC1)[C@@H](C)[C@@H](C)[NH3+] 41053692 167155679 /nfs/dbraw/zinc/15/56/79/167155679.db2.gz FTWMZPQWWZNTDV-MNOVXSKESA-N 2 2 198.354 2.377 10 0 AEAELP CC[N@H+](CC(C)(C)[NH3+])C1CCCCC1 40925801 167156244 /nfs/dbraw/zinc/15/62/44/167156244.db2.gz KYCZRUBNSCFWPX-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CC[N@@H+](CC(C)(C)[NH3+])C1CCCCC1 40925801 167156246 /nfs/dbraw/zinc/15/62/46/167156246.db2.gz KYCZRUBNSCFWPX-UHFFFAOYSA-N 2 2 198.354 2.378 10 0 AEAELP CC[N@H+](CC(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 37111456 167156835 /nfs/dbraw/zinc/15/68/35/167156835.db2.gz IJAWZQFELXQIOV-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@@H+](CC(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 37111456 167156838 /nfs/dbraw/zinc/15/68/38/167156838.db2.gz IJAWZQFELXQIOV-NWDGAFQWSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@H+](CC(C)C)[C@@H]1CCCC[NH2+]C1 54134971 167157011 /nfs/dbraw/zinc/15/70/11/167157011.db2.gz RFKMDQRBBGPNGW-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+](CC(C)C)[C@@H]1CCCC[NH2+]C1 54134971 167157015 /nfs/dbraw/zinc/15/70/15/167157015.db2.gz RFKMDQRBBGPNGW-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@H+](CC(C)C)[C@H]1CCC[C@@H]1[NH2+]C 43887878 167157086 /nfs/dbraw/zinc/15/70/86/167157086.db2.gz AGWIODAJZAXFRR-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1[NH2+]C 43887878 167157089 /nfs/dbraw/zinc/15/70/89/167157089.db2.gz AGWIODAJZAXFRR-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@H+](CC(C)C)[C@H]1CCCC[C@@H]1[NH3+] 37111458 167158043 /nfs/dbraw/zinc/15/80/43/167158043.db2.gz IJAWZQFELXQIOV-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@@H+](CC(C)C)[C@H]1CCCC[C@@H]1[NH3+] 37111458 167158045 /nfs/dbraw/zinc/15/80/45/167158045.db2.gz IJAWZQFELXQIOV-RYUDHWBXSA-N 2 2 198.354 2.234 10 0 AEAELP CC[N@H+](CC(C)C)[C@H]1CCCC[NH2+]C1 54134973 167158086 /nfs/dbraw/zinc/15/80/86/167158086.db2.gz RFKMDQRBBGPNGW-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@@H+](CC(C)C)[C@H]1CCCC[NH2+]C1 54134973 167158089 /nfs/dbraw/zinc/15/80/89/167158089.db2.gz RFKMDQRBBGPNGW-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[N@H+](CC(C)C)[C@@H]1CCC[C@@H]1[NH2+]C 43887877 167158901 /nfs/dbraw/zinc/15/89/01/167158901.db2.gz AGWIODAJZAXFRR-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H]1[NH2+]C 43887877 167158903 /nfs/dbraw/zinc/15/89/03/167158903.db2.gz AGWIODAJZAXFRR-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH+](CC)CCCCc1c[nH]c[nH+]1 13685860 167166489 /nfs/dbraw/zinc/16/64/89/167166489.db2.gz CSDCGOJSTHVMSW-UHFFFAOYSA-N 2 2 195.310 2.074 10 0 AEAELP CC[NH+](CC)CCCCc1c[nH+]c[nH]1 13685860 167166493 /nfs/dbraw/zinc/16/64/93/167166493.db2.gz CSDCGOJSTHVMSW-UHFFFAOYSA-N 2 2 195.310 2.074 10 0 AEAELP CC[NH+](CC)CC[NH2+]C1(C)CCCC1 42187261 167167039 /nfs/dbraw/zinc/16/70/39/167167039.db2.gz UUJDNMPINCXKTN-UHFFFAOYSA-N 2 2 198.354 2.251 10 0 AEAELP CC[NH+](CC)CC[NH2+]C(C)(C)CC 20035917 167167619 /nfs/dbraw/zinc/16/76/19/167167619.db2.gz KSLRMPDIJWRLPA-UHFFFAOYSA-N 2 2 186.343 2.106 10 0 AEAELP CC[NH+](CC)[C@H](c1ccco1)[C@@H](C)[NH3+] 43334318 167171885 /nfs/dbraw/zinc/17/18/85/167171885.db2.gz DEZBZLRCFRROAX-KOLCDFICSA-N 2 2 196.294 2.010 10 0 AEAELP 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/nfs/dbraw/zinc/40/57/15/343405715.db2.gz GCKKRFBKQSLZEK-CMPLNLGQSA-N 2 2 196.338 2.131 10 0 AEAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC(C)(C)C 63192082 343405746 /nfs/dbraw/zinc/40/57/46/343405746.db2.gz PAUZOGPCXRBCDD-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC(C)(C)C 63192082 343405750 /nfs/dbraw/zinc/40/57/50/343405750.db2.gz PAUZOGPCXRBCDD-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 68997058 343419944 /nfs/dbraw/zinc/41/99/44/343419944.db2.gz CLXRRVWFIMFJMM-QWRGUYRKSA-N 2 2 198.354 2.377 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 68997058 343419946 /nfs/dbraw/zinc/41/99/46/343419946.db2.gz CLXRRVWFIMFJMM-QWRGUYRKSA-N 2 2 198.354 2.377 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 68997056 343420021 /nfs/dbraw/zinc/42/00/21/343420021.db2.gz CLXRRVWFIMFJMM-WDEREUQCSA-N 2 2 198.354 2.377 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 68997056 343420022 /nfs/dbraw/zinc/42/00/22/343420022.db2.gz CLXRRVWFIMFJMM-WDEREUQCSA-N 2 2 198.354 2.377 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@@H]1CCCC[NH2+]C1 69012650 343420475 /nfs/dbraw/zinc/42/04/75/343420475.db2.gz UPWOODVLXORCEH-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 69012650 343420476 /nfs/dbraw/zinc/42/04/76/343420476.db2.gz UPWOODVLXORCEH-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@@H]1CC[C@H](C)[NH2+]C1 68999024 343420546 /nfs/dbraw/zinc/42/05/46/343420546.db2.gz FNCTYBKCIDTEDP-WDEREUQCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@H](C)[NH2+]C1 68999024 343420550 /nfs/dbraw/zinc/42/05/50/343420550.db2.gz FNCTYBKCIDTEDP-WDEREUQCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@H]1CCCC[NH2+]C1 69012652 343420872 /nfs/dbraw/zinc/42/08/72/343420872.db2.gz UPWOODVLXORCEH-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@H]1CCCC[NH2+]C1 69012652 343420875 /nfs/dbraw/zinc/42/08/75/343420875.db2.gz UPWOODVLXORCEH-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@H]1CC[C@H](C)[NH2+]C1 68999025 343420884 /nfs/dbraw/zinc/42/08/84/343420884.db2.gz FNCTYBKCIDTEDP-QWRGUYRKSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(C)(C)[N@@H+](C)[C@H]1CC[C@H](C)[NH2+]C1 68999025 343420886 /nfs/dbraw/zinc/42/08/86/343420886.db2.gz FNCTYBKCIDTEDP-QWRGUYRKSA-N 2 2 198.354 2.247 10 0 AEAELP C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1[NH3+] 69718576 343435526 /nfs/dbraw/zinc/43/55/26/343435526.db2.gz GVIUWMACOPWEDT-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1[NH3+] 69718576 343435527 /nfs/dbraw/zinc/43/55/27/343435527.db2.gz GVIUWMACOPWEDT-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP CC[C@H](C(C)C)[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718413 343435583 /nfs/dbraw/zinc/43/55/83/343435583.db2.gz BCZNEXBXXWYUDO-QJPTWQEYSA-N 2 2 198.354 2.090 10 0 AEAELP CC[C@H](C(C)C)[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718413 343435584 /nfs/dbraw/zinc/43/55/84/343435584.db2.gz 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/nfs/dbraw/zinc/62/95/27/344629527.db2.gz VBXFQRWNFFSJLB-GARJFASQSA-N 2 2 198.354 2.090 10 0 AEAELP CCC(C)(CC)[N@@H+]1CCC[NH2+][C@@H](C)C1 230963562 344646636 /nfs/dbraw/zinc/64/66/36/344646636.db2.gz BJHKXYXFCMRQSU-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(CC)[N@H+]1CCC[NH2+][C@@H](C)C1 230963562 344646637 /nfs/dbraw/zinc/64/66/37/344646637.db2.gz BJHKXYXFCMRQSU-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(CC)[N@@H+]1CCC[NH2+][C@H](C)C1 230963565 344646758 /nfs/dbraw/zinc/64/67/58/344646758.db2.gz BJHKXYXFCMRQSU-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(CC)[N@H+]1CCC[NH2+][C@H](C)C1 230963565 344646759 /nfs/dbraw/zinc/64/67/59/344646759.db2.gz BJHKXYXFCMRQSU-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC(C)(C)C[N@@H+]1CC[NH2+][C@H](C)CC1 232861180 344695224 /nfs/dbraw/zinc/69/52/24/344695224.db2.gz WIMMTPUVBGOWKL-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(C)(C)C[N@H+]1CC[NH2+][C@H](C)CC1 232861180 344695226 /nfs/dbraw/zinc/69/52/26/344695226.db2.gz 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2.377 10 0 AEAELP CC[N@H+](C1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 249988420 344828876 /nfs/dbraw/zinc/82/88/76/344828876.db2.gz MNRUYVRKENYGOG-VXGBXAGGSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@@H+](C1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 249988420 344828877 /nfs/dbraw/zinc/82/88/77/344828877.db2.gz MNRUYVRKENYGOG-VXGBXAGGSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@H+](C1CCCC1)[C@H]1CCC[C@H]1[NH3+] 249988417 344828899 /nfs/dbraw/zinc/82/88/99/344828899.db2.gz MNRUYVRKENYGOG-NEPJUHHUSA-N 2 2 196.338 2.131 10 0 AEAELP CC[N@@H+](C1CCCC1)[C@H]1CCC[C@H]1[NH3+] 249988417 344828900 /nfs/dbraw/zinc/82/89/00/344828900.db2.gz MNRUYVRKENYGOG-NEPJUHHUSA-N 2 2 196.338 2.131 10 0 AEAELP CCC[N@H+](C)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 249995661 344829340 /nfs/dbraw/zinc/82/93/40/344829340.db2.gz GDNHOLUOPXFOSW-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](C)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 249995661 344829342 /nfs/dbraw/zinc/82/93/42/344829342.db2.gz GDNHOLUOPXFOSW-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](C)[C@H]1CC(C)(C)CC[C@H]1[NH3+] 249995664 344829622 /nfs/dbraw/zinc/82/96/22/344829622.db2.gz GDNHOLUOPXFOSW-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](C)[C@H]1CC(C)(C)CC[C@H]1[NH3+] 249995664 344829623 /nfs/dbraw/zinc/82/96/23/344829623.db2.gz GDNHOLUOPXFOSW-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](C)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1[NH3+] 250118426 344830481 /nfs/dbraw/zinc/83/04/81/344830481.db2.gz URJNUSBJJZIEPI-IRCOFANPSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[N@@H+](C)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1[NH3+] 250118426 344830482 /nfs/dbraw/zinc/83/04/82/344830482.db2.gz URJNUSBJJZIEPI-IRCOFANPSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[N@H+](C)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1[NH3+] 250118423 344830514 /nfs/dbraw/zinc/83/05/14/344830514.db2.gz URJNUSBJJZIEPI-DDHJBXDOSA-N 2 2 198.354 2.090 10 0 AEAELP CCC[N@H+](C)[C@H]1[C@@H]([NH3+])C[C@H](C)C[C@H]1C 250118429 344830509 /nfs/dbraw/zinc/83/05/09/344830509.db2.gz URJNUSBJJZIEPI-WISYIIOYSA-N 2 2 198.354 2.090 10 0 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C[N@@H+](C1CCCC1)[C@H]1CCCC[C@H]1[NH3+] 250422532 344833853 /nfs/dbraw/zinc/83/38/53/344833853.db2.gz PLUYMGXIPOZQNC-NEPJUHHUSA-N 2 2 196.338 2.131 10 0 AEAELP C[N@@H+](C1CCCCC1)[C@@H]1CCC[C@H]1[NH3+] 250431425 344833884 /nfs/dbraw/zinc/83/38/84/344833884.db2.gz RDDFZKSWFFBFJQ-VXGBXAGGSA-N 2 2 196.338 2.131 10 0 AEAELP C[N@H+](CC(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] 250718944 344840018 /nfs/dbraw/zinc/84/00/18/344840018.db2.gz UXEMIUXMOWDZRP-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[N@@H+](CC(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] 250718944 344840019 /nfs/dbraw/zinc/84/00/19/344840019.db2.gz UXEMIUXMOWDZRP-MNOVXSKESA-N 2 2 198.354 2.234 10 0 AEAELP C[N@H+](CC(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] 250718942 344840081 /nfs/dbraw/zinc/84/00/81/344840081.db2.gz UXEMIUXMOWDZRP-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP C[N@@H+](CC(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] 250718942 344840083 /nfs/dbraw/zinc/84/00/83/344840083.db2.gz UXEMIUXMOWDZRP-GHMZBOCLSA-N 2 2 198.354 2.234 10 0 AEAELP CC1(C)CCC[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 250796952 344841572 /nfs/dbraw/zinc/84/15/72/344841572.db2.gz MIHTYISBJCIJEA-GHMZBOCLSA-N 2 2 196.338 2.131 10 0 AEAELP CC1(C)CCC[N@H+]1[C@@H]1CCCC[C@H]1[NH3+] 250796952 344841575 /nfs/dbraw/zinc/84/15/75/344841575.db2.gz MIHTYISBJCIJEA-GHMZBOCLSA-N 2 2 196.338 2.131 10 0 AEAELP CC[C@@]1(C[N@@H+]2CCC[C@H]2C)CCC[NH2+]1 251186813 344848453 /nfs/dbraw/zinc/84/84/53/344848453.db2.gz DSVZOGKOCOJBNN-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1(C[N@H+]2CCC[C@H]2C)CCC[NH2+]1 251186813 344848457 /nfs/dbraw/zinc/84/84/57/344848457.db2.gz DSVZOGKOCOJBNN-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@]1(C[N@@H+]2CCC[C@H]2C)CCC[NH2+]1 251186817 344848555 /nfs/dbraw/zinc/84/85/55/344848555.db2.gz DSVZOGKOCOJBNN-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@]1(C[N@H+]2CCC[C@H]2C)CCC[NH2+]1 251186817 344848557 /nfs/dbraw/zinc/84/85/57/344848557.db2.gz DSVZOGKOCOJBNN-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CCC(C)(C)[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 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CCC[N@@H+](CC1CC1)C[C@H](CC)[NH2+]C 50179573 573271736 /nfs/dbraw/zinc/27/17/36/573271736.db2.gz XRENOEPHZADHQI-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[N@H+](CC1CC1)C[C@H](CC)[NH2+]C 50179573 573271743 /nfs/dbraw/zinc/27/17/43/573271743.db2.gz XRENOEPHZADHQI-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)[NH2+]C 50166469 573271880 /nfs/dbraw/zinc/27/18/80/573271880.db2.gz QGSQNDQWOXETKR-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH3+])C(C)(C)[NH+]1CCCCCC1 74236688 573271911 /nfs/dbraw/zinc/27/19/11/573271911.db2.gz AJMBFQJUPDOWFE-LLVKDONJSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@H](C[N@H+](C)C1CCCCC1)[NH2+]C 50166445 573271944 /nfs/dbraw/zinc/27/19/44/573271944.db2.gz IXCRUZGLOHATNH-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C[N@@H+](C)C1CCCCC1)[NH2+]C 50166445 573271951 /nfs/dbraw/zinc/27/19/51/573271951.db2.gz IXCRUZGLOHATNH-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]([NH3+])C1([NH+](C)C)CCC(C)CC1 74236728 573272024 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LNPPLTTVLVBYPO-NSHDSACASA-N 2 2 186.343 2.106 10 0 AEAELP CC[C@@H](C[N@@H+]1[C@@H](C)CCC[C@H]1C)[NH2+]C 50166463 573273988 /nfs/dbraw/zinc/27/39/88/573273988.db2.gz QGSQNDQWOXETKR-TUAOUCFPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](C[N@H+]1[C@@H](C)CCC[C@H]1C)[NH2+]C 50166463 573273994 /nfs/dbraw/zinc/27/39/94/573273994.db2.gz QGSQNDQWOXETKR-TUAOUCFPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H](Cn1cc[nH+]c1C(C)C)[NH2+]C 50180406 573274174 /nfs/dbraw/zinc/27/41/74/573274174.db2.gz AWMSAJBOWVVHSJ-JTQLQIEISA-N 2 2 195.310 2.005 10 0 AEAELP CC[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 74240829 573274630 /nfs/dbraw/zinc/27/46/30/573274630.db2.gz AQCHULDSUVVHJI-NSHDSACASA-N 2 2 196.338 2.132 10 0 AEAELP CC[C@H](C[NH+]1CCCCCCC1)[NH2+]C 50179148 573274631 /nfs/dbraw/zinc/27/46/31/573274631.db2.gz LASMGDZPXTXKOD-GFCCVEGCSA-N 2 2 198.354 2.251 10 0 AEAELP CCC(C)(C)C[NH2+]CC[N@H+](C)C1CC1 308536649 573276397 /nfs/dbraw/zinc/27/63/97/573276397.db2.gz STERBVPMWCCKBS-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(C)(C)C[NH2+]CC[N@@H+](C)C1CC1 308536649 573276403 /nfs/dbraw/zinc/27/64/03/573276403.db2.gz STERBVPMWCCKBS-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)[N@@H+]1C[C@@H](C)[NH2+]CC12CCCC2 82935451 573291975 /nfs/dbraw/zinc/29/19/75/573291975.db2.gz YUWQSYCVKKMUGZ-LLVKDONJSA-N 2 2 196.338 2.001 10 0 AEAELP CC(C)[N@H+]1C[C@@H](C)[NH2+]CC12CCCC2 82935451 573291980 /nfs/dbraw/zinc/29/19/80/573291980.db2.gz YUWQSYCVKKMUGZ-LLVKDONJSA-N 2 2 196.338 2.001 10 0 AEAELP CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C 82937124 573292047 /nfs/dbraw/zinc/29/20/47/573292047.db2.gz XKXINBQKSHYTBB-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@]1(C)C[NH2+][C@@H](C(C)(C)C)C[N@H+]1C 82937124 573292051 /nfs/dbraw/zinc/29/20/51/573292051.db2.gz XKXINBQKSHYTBB-PWSUYJOCSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)c1ccc([C@H]([NH3+])C[NH3+])cc1 259071256 573292067 /nfs/dbraw/zinc/29/20/67/573292067.db2.gz NKSMIOJVUCZMJU-JOYOIKCWSA-N 2 2 192.306 2.159 10 0 AEAELP CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)C[N@H+]1C 82937123 573294865 /nfs/dbraw/zinc/29/48/65/573294865.db2.gz XKXINBQKSHYTBB-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1C[N@H+](C)C2(CCCCC2)C[NH2+]1 82936902 573294553 /nfs/dbraw/zinc/29/45/53/573294553.db2.gz COIUBQIMZYADOZ-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@H]1C[N@@H+](C)C2(CCCCC2)C[NH2+]1 82936902 573294560 /nfs/dbraw/zinc/29/45/60/573294560.db2.gz COIUBQIMZYADOZ-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@]1(C)C[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C 82937123 573294855 /nfs/dbraw/zinc/29/48/55/573294855.db2.gz XKXINBQKSHYTBB-ZYHUDNBSSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1C[C@H](C)[NH2+]CC12CCCCC2 82935475 573295669 /nfs/dbraw/zinc/29/56/69/573295669.db2.gz AKFFESNAJRSZFQ-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1C[C@H](C)[NH2+]CC12CCCCC2 82935475 573295671 /nfs/dbraw/zinc/29/56/71/573295671.db2.gz AKFFESNAJRSZFQ-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@@H+]1CC(C)(C)[NH2+]CC12CCCC2 82936354 573295781 /nfs/dbraw/zinc/29/57/81/573295781.db2.gz PLLXMJAWJQAYFK-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CC(C)(C)[NH2+]CC12CCCC2 82936354 573295787 /nfs/dbraw/zinc/29/57/87/573295787.db2.gz PLLXMJAWJQAYFK-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CCCC[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 50890853 573298998 /nfs/dbraw/zinc/29/89/98/573298998.db2.gz MQZHXSMDONEJGF-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 50890853 573298999 /nfs/dbraw/zinc/29/89/99/573298999.db2.gz MQZHXSMDONEJGF-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@]1(C)C[N@H+](C)C2(CCCC2)C[NH2+]1 82937950 573302587 /nfs/dbraw/zinc/30/25/87/573302587.db2.gz SGTHGTBBMKDDHF-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1(C)C[N@@H+](C)C2(CCCC2)C[NH2+]1 82937950 573302590 /nfs/dbraw/zinc/30/25/90/573302590.db2.gz SGTHGTBBMKDDHF-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1C 82938087 573302923 /nfs/dbraw/zinc/30/29/23/573302923.db2.gz KUZCDAMOJJWMJD-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP 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/nfs/dbraw/zinc/30/33/62/573303362.db2.gz UQHQVBQJWIRCIC-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CC)C(C)(C)C[NH2+]1 82937579 573303365 /nfs/dbraw/zinc/30/33/65/573303365.db2.gz UQHQVBQJWIRCIC-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H]1C[N@H+](CC)C(C)(C)C[NH2+]1 82937580 573303451 /nfs/dbraw/zinc/30/34/51/573303451.db2.gz UQHQVBQJWIRCIC-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)[C@@H]1C[N@@H+](CC)C(C)(C)C[NH2+]1 82937580 573303459 /nfs/dbraw/zinc/30/34/59/573303459.db2.gz UQHQVBQJWIRCIC-QWRGUYRKSA-N 2 2 198.354 2.105 10 0 AEAELP CC[N@@H+]1CC(CC)(CC)[NH2+]CC[C@H]1C 82943646 573313917 /nfs/dbraw/zinc/31/39/17/573313917.db2.gz BYUNJEIFPDVCAG-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[N@H+]1CC(CC)(CC)[NH2+]CC[C@H]1C 82943646 573313920 /nfs/dbraw/zinc/31/39/20/573313920.db2.gz BYUNJEIFPDVCAG-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCC[C@H]1C[N@H+](C(C)C)[C@H](C)CC[NH2+]1 82943085 573313354 /nfs/dbraw/zinc/31/33/54/573313354.db2.gz LQRGDMGURGSBKJ-NEPJUHHUSA-N 2 2 198.354 2.247 10 0 AEAELP CCC[C@H]1C[N@@H+](C(C)C)[C@H](C)CC[NH2+]1 82943085 573313360 /nfs/dbraw/zinc/31/33/60/573313360.db2.gz LQRGDMGURGSBKJ-NEPJUHHUSA-N 2 2 198.354 2.247 10 0 AEAELP CCCC[N@@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82942950 573313638 /nfs/dbraw/zinc/31/36/38/573313638.db2.gz CDRHEOFZCIDSQV-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CCCC[N@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82942950 573313644 /nfs/dbraw/zinc/31/36/44/573313644.db2.gz CDRHEOFZCIDSQV-LLVKDONJSA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H]1C[N@H+](CC(C)C)[C@H](C)CC[NH2+]1 82943341 573313751 /nfs/dbraw/zinc/31/37/51/573313751.db2.gz LQKTYXFSDYPNKW-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]1C[N@@H+](CC(C)C)[C@H](C)CC[NH2+]1 82943341 573313758 /nfs/dbraw/zinc/31/37/58/573313758.db2.gz LQKTYXFSDYPNKW-NEPJUHHUSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@]1(C)C[N@H+](C(C)C)[C@H](C)CC[NH2+]1 82943603 573314614 /nfs/dbraw/zinc/31/46/14/573314614.db2.gz CFZZPNPSPQUYLB-VXGBXAGGSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@]1(C)C[N@@H+](C(C)C)[C@H](C)CC[NH2+]1 82943603 573314620 /nfs/dbraw/zinc/31/46/20/573314620.db2.gz CFZZPNPSPQUYLB-VXGBXAGGSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH3+])[C@@H](c1cccs1)[NH+](C)C 43102753 573314636 /nfs/dbraw/zinc/31/46/36/573314636.db2.gz HFFTXNCTFXRPPW-SCZZXKLOSA-N 2 2 198.335 2.088 10 0 AEAELP CCC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C 82942281 573314688 /nfs/dbraw/zinc/31/46/88/573314688.db2.gz UUIHSTWQPMEILQ-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+]1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C 82942281 573314690 /nfs/dbraw/zinc/31/46/90/573314690.db2.gz UUIHSTWQPMEILQ-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[C@H](C)C[C@H]([NH3+])c1c[nH+]cn1C 126078765 573324515 /nfs/dbraw/zinc/32/45/15/573324515.db2.gz WJFOLKXOEYRZNG-UWVGGRQHSA-N 2 2 195.310 2.246 10 0 AEAELP CCCCCC[C@H]([NH3+])c1c[nH+]cn1C 126077571 573324610 /nfs/dbraw/zinc/32/46/10/573324610.db2.gz JRWZCTJPQBBDRQ-JTQLQIEISA-N 2 2 195.310 2.390 10 0 AEAELP CCC[C@@H](C)C[C@@H]([NH3+])c1c[nH+]cn1C 126079031 573324692 /nfs/dbraw/zinc/32/46/92/573324692.db2.gz WJFOLKXOEYRZNG-NXEZZACHSA-N 2 2 195.310 2.246 10 0 AEAELP CC[C@@H](C[NH2+]CC1CCCC1)[NH+](C)C 132618994 573325082 /nfs/dbraw/zinc/32/50/82/573325082.db2.gz YDEZWTKQLKTWJS-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@](C)([C@H](C)[NH3+])[N@H+](C)CC1CCC1 308553624 573325577 /nfs/dbraw/zinc/32/55/77/573325577.db2.gz RDEGJIGTTDNNBB-JQWIXIFHSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@](C)([C@H](C)[NH3+])[N@@H+](C)CC1CCC1 308553624 573325582 /nfs/dbraw/zinc/32/55/82/573325582.db2.gz RDEGJIGTTDNNBB-JQWIXIFHSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH3+])[N@H+](C)CC1CCC1 308553625 573325899 /nfs/dbraw/zinc/32/58/99/573325899.db2.gz RDEGJIGTTDNNBB-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@@](C)([C@@H](C)[NH3+])[N@@H+](C)CC1CCC1 308553625 573325904 /nfs/dbraw/zinc/32/59/04/573325904.db2.gz RDEGJIGTTDNNBB-PWSUYJOCSA-N 2 2 198.354 2.234 10 0 AEAELP 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/nfs/dbraw/zinc/58/80/59/573588059.db2.gz KBKZBCFJYOUEGE-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H]([NH3+])C[N@@H+]1CCCC(C)(C)CC1 83680440 573590417 /nfs/dbraw/zinc/59/04/17/573590417.db2.gz OEBAAKNKWZBULM-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@H]([NH3+])C[N@H+]1CCCC(C)(C)CC1 83680440 573590422 /nfs/dbraw/zinc/59/04/22/573590422.db2.gz OEBAAKNKWZBULM-NSHDSACASA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@@H]([NH3+])C[N@@H+]1CCCC(C)(C)CC1 83680442 573590873 /nfs/dbraw/zinc/59/08/73/573590873.db2.gz OEBAAKNKWZBULM-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP CC[C@@H]([NH3+])C[N@H+]1CCCC(C)(C)CC1 83680442 573590874 /nfs/dbraw/zinc/59/08/74/573590874.db2.gz OEBAAKNKWZBULM-LLVKDONJSA-N 2 2 198.354 2.236 10 0 AEAELP C/C=C\C[NH2+][C@H](CC(C)C)C[NH+](C)C 308405499 573594660 /nfs/dbraw/zinc/59/46/60/573594660.db2.gz MKXKVRNDWUNUJB-ZHRWSRJISA-N 2 2 198.354 2.128 10 0 AEAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC(C)(C)CC1 83680410 573594667 /nfs/dbraw/zinc/59/46/67/573594667.db2.gz SPDMTBSUXLELGF-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCC(C)(C)CC1 83680410 573594670 /nfs/dbraw/zinc/59/46/70/573594670.db2.gz SPDMTBSUXLELGF-QWRGUYRKSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@H+](CC)C[C@]1(CC)CCC[NH2+]1 215364194 573598617 /nfs/dbraw/zinc/59/86/17/573598617.db2.gz YNRQEOBNBLPYAV-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CCC[N@@H+](CC)C[C@]1(CC)CCC[NH2+]1 215364194 573598621 /nfs/dbraw/zinc/59/86/21/573598621.db2.gz YNRQEOBNBLPYAV-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CC[C@H](C)[NH2+]CC[N@H+](C)CCC1CC1 308647028 573602319 /nfs/dbraw/zinc/60/23/19/573602319.db2.gz ICRQCZVFTIBZGK-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@H](C)[NH2+]CC[N@@H+](C)CCC1CC1 308647028 573602325 /nfs/dbraw/zinc/60/23/25/573602325.db2.gz ICRQCZVFTIBZGK-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)[NH2+]CC[N@H+](C)CCC1CC1 308647027 573606929 /nfs/dbraw/zinc/60/69/29/573606929.db2.gz ICRQCZVFTIBZGK-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@@H](C)[NH2+]CC[N@@H+](C)CCC1CC1 308647027 573606933 /nfs/dbraw/zinc/60/69/33/573606933.db2.gz ICRQCZVFTIBZGK-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CC[C@](C)([NH3+])C[N@@H+]1C[C@H](C)CC[C@@H]1C 86810688 573632480 /nfs/dbraw/zinc/63/24/80/573632480.db2.gz LWISEGNHDFAMPG-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@](C)([NH3+])C[N@H+]1C[C@H](C)CC[C@@H]1C 86810688 573632487 /nfs/dbraw/zinc/63/24/87/573632487.db2.gz LWISEGNHDFAMPG-WOPDTQHZSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@](C)([NH3+])C[N@@H+]1CCCCC[C@@H]1C 86810510 573632569 /nfs/dbraw/zinc/63/25/69/573632569.db2.gz RXVOAICUNHPTDF-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP CC[C@](C)([NH3+])C[N@H+]1CCCCC[C@@H]1C 86810510 573632574 /nfs/dbraw/zinc/63/25/74/573632574.db2.gz RXVOAICUNHPTDF-RYUDHWBXSA-N 2 2 198.354 2.378 10 0 AEAELP C[C@H]([NH3+])c1cccc(-c2c[nH]c[nH+]2)c1 259617011 573638293 /nfs/dbraw/zinc/63/82/93/573638293.db2.gz DXRWRNUAAYBJGB-QMMMGPOBSA-N 2 2 187.246 2.096 10 0 AEAELP CC[C@H]([NH3+])[C@H]([N@H+](C)CC)C(C)(C)C 43292074 573638918 /nfs/dbraw/zinc/63/89/18/573638918.db2.gz VCGDLWWKMUHNGS-UWVGGRQHSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@H]([NH3+])[C@H]([N@@H+](C)CC)C(C)(C)C 43292074 573638921 /nfs/dbraw/zinc/63/89/21/573638921.db2.gz VCGDLWWKMUHNGS-UWVGGRQHSA-N 2 2 186.343 2.090 10 0 AEAELP Cc1ccc(C)c([C@@H]([NH3+])C(C)(C)[NH3+])c1 259543550 573656726 /nfs/dbraw/zinc/65/67/26/573656726.db2.gz XDGTYRRWLBZSBT-LLVKDONJSA-N 2 2 192.306 2.041 10 0 AEAELP CC[N@@H+]1CCC[C@H]1[C@]1(CC)CCC[NH2+]1 258085749 573697039 /nfs/dbraw/zinc/69/70/39/573697039.db2.gz GDIQUMRKYIVVPS-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CCC[C@H]1[C@]1(CC)CCC[NH2+]1 258085749 573697045 /nfs/dbraw/zinc/69/70/45/573697045.db2.gz GDIQUMRKYIVVPS-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CCCC[NH2+]1 238480791 573697425 /nfs/dbraw/zinc/69/74/25/573697425.db2.gz IATFARALGBNTBE-TUAOUCFPSA-N 2 2 196.338 2.001 10 0 AEAELP C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CCCC[NH2+]1 238480791 573697432 /nfs/dbraw/zinc/69/74/32/573697432.db2.gz IATFARALGBNTBE-TUAOUCFPSA-N 2 2 196.338 2.001 10 0 AEAELP CC[N@@H+]1CCC[C@@H]1[C@]1(CC)CCC[NH2+]1 258085745 573698415 /nfs/dbraw/zinc/69/84/15/573698415.db2.gz GDIQUMRKYIVVPS-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CC[N@H+]1CCC[C@@H]1[C@]1(CC)CCC[NH2+]1 258085745 573698422 /nfs/dbraw/zinc/69/84/22/573698422.db2.gz GDIQUMRKYIVVPS-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CCCc1c[nH]c([C@H](CC)C[NH2+]C)[nH+]1 259173806 573732289 /nfs/dbraw/zinc/73/22/89/573732289.db2.gz VLURYFHYERYDCS-SECBINFHSA-N 2 2 195.310 2.075 10 0 AEAELP CCCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 308702496 573744928 /nfs/dbraw/zinc/74/49/28/573744928.db2.gz VJYZJOWIWBLVFA-SDDRHHMPSA-N 2 2 198.354 2.377 10 0 AEAELP CCCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 308702496 573744931 /nfs/dbraw/zinc/74/49/31/573744931.db2.gz VJYZJOWIWBLVFA-SDDRHHMPSA-N 2 2 198.354 2.377 10 0 AEAELP C[C@@H]([NH3+])c1ccccc1-c1[nH]cc[nH+]1 108299508 573744965 /nfs/dbraw/zinc/74/49/65/573744965.db2.gz ALURRDOIGRPCML-MRVPVSSYSA-N 2 2 187.246 2.096 10 0 AEAELP CCCC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 308702497 573747821 /nfs/dbraw/zinc/74/78/21/573747821.db2.gz VJYZJOWIWBLVFA-SRVKXCTJSA-N 2 2 198.354 2.377 10 0 AEAELP CCCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 308702497 573747826 /nfs/dbraw/zinc/74/78/26/573747826.db2.gz VJYZJOWIWBLVFA-SRVKXCTJSA-N 2 2 198.354 2.377 10 0 AEAELP CC(C)[C@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] 108310299 573747866 /nfs/dbraw/zinc/74/78/66/573747866.db2.gz OWLCBVYRYYTSRR-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC(C)[C@H]1CCCC[N@H+]1CC(C)(C)[NH3+] 108310299 573747872 /nfs/dbraw/zinc/74/78/72/573747872.db2.gz OWLCBVYRYYTSRR-LLVKDONJSA-N 2 2 198.354 2.234 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 84046665 573748292 /nfs/dbraw/zinc/74/82/92/573748292.db2.gz HANBQMSQCVZNQH-RHYQMDGZSA-N 2 2 198.354 2.233 10 0 AEAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84046665 573748297 /nfs/dbraw/zinc/74/82/97/573748297.db2.gz HANBQMSQCVZNQH-RHYQMDGZSA-N 2 2 198.354 2.233 10 0 AEAELP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCC(C)(C)C)C1 87040098 573751273 /nfs/dbraw/zinc/75/12/73/573751273.db2.gz RSSNJIKYQBYMQM-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCC(C)(C)C)C1 87040098 573751279 /nfs/dbraw/zinc/75/12/79/573751279.db2.gz RSSNJIKYQBYMQM-MNOVXSKESA-N 2 2 198.354 2.092 10 0 AEAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCC(C)(C)C)C1 87040101 573751519 /nfs/dbraw/zinc/75/15/19/573751519.db2.gz RSSNJIKYQBYMQM-GHMZBOCLSA-N 2 2 198.354 2.092 10 0 AEAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCC(C)(C)C)C1 87040101 573751528 /nfs/dbraw/zinc/75/15/28/573751528.db2.gz RSSNJIKYQBYMQM-GHMZBOCLSA-N 2 2 198.354 2.092 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@H](C)CC[C@@H]1C 84051718 573754343 /nfs/dbraw/zinc/75/43/43/573754343.db2.gz RXPWZOSBWJJINC-WOPDTQHZSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@H](C)CC[C@@H]1C 84051718 573754348 /nfs/dbraw/zinc/75/43/48/573754348.db2.gz RXPWZOSBWJJINC-WOPDTQHZSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@H](C)CC[C@H]1C 84051724 573754602 /nfs/dbraw/zinc/75/46/02/573754602.db2.gz RXPWZOSBWJJINC-UTUOFQBUSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@H](C)CC[C@H]1C 84051724 573754605 /nfs/dbraw/zinc/75/46/05/573754605.db2.gz RXPWZOSBWJJINC-UTUOFQBUSA-N 2 2 198.354 2.090 10 0 AEAELP C[NH2+]C(C)(C)C[N@@H+]1C[C@H](C)CC[C@@H]1C 84051638 573755939 /nfs/dbraw/zinc/75/59/39/573755939.db2.gz PMBMUJSVSWXFOQ-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+]C(C)(C)C[N@H+]1C[C@H](C)CC[C@@H]1C 84051638 573755946 /nfs/dbraw/zinc/75/59/46/573755946.db2.gz PMBMUJSVSWXFOQ-MNOVXSKESA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)CC[C@@H]1C 84051721 573755187 /nfs/dbraw/zinc/75/51/87/573755187.db2.gz RXPWZOSBWJJINC-SRVKXCTJSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)CC[C@@H]1C 84051721 573755193 /nfs/dbraw/zinc/75/51/93/573755193.db2.gz RXPWZOSBWJJINC-SRVKXCTJSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)CCCCn1c[nH+]cc1C[NH3+] 147865950 573756079 /nfs/dbraw/zinc/75/60/79/573756079.db2.gz NSVYFPAHVGUFPJ-UHFFFAOYSA-N 2 2 195.310 2.168 10 0 AEAELP C[NH2+]C(C)(C)C[N@@H+]1C[C@@H](C)CC[C@H]1C 84051648 573756359 /nfs/dbraw/zinc/75/63/59/573756359.db2.gz PMBMUJSVSWXFOQ-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP C[NH2+]C(C)(C)C[N@H+]1C[C@@H](C)CC[C@H]1C 84051648 573756365 /nfs/dbraw/zinc/75/63/65/573756365.db2.gz PMBMUJSVSWXFOQ-WDEREUQCSA-N 2 2 198.354 2.105 10 0 AEAELP Cc1cc([C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 238509102 573768129 /nfs/dbraw/zinc/76/81/29/573768129.db2.gz JOBUBJZXNAHTLN-PWSUYJOCSA-N 2 2 190.290 2.375 10 0 AEAELP C[C@H]1CCCC[C@]1(C)[NH2+]CC[NH+](C)C 308713546 573768356 /nfs/dbraw/zinc/76/83/56/573768356.db2.gz RTNBXZWDXKPCFC-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 308711734 573769660 /nfs/dbraw/zinc/76/96/60/573769660.db2.gz ZEBSDPIBRTUHHC-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 308711734 573769665 /nfs/dbraw/zinc/76/96/65/573769665.db2.gz ZEBSDPIBRTUHHC-RYUDHWBXSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 308711732 573769690 /nfs/dbraw/zinc/76/96/90/573769690.db2.gz ZEBSDPIBRTUHHC-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 308711732 573769696 /nfs/dbraw/zinc/76/96/96/573769696.db2.gz ZEBSDPIBRTUHHC-NEPJUHHUSA-N 2 2 198.354 2.106 10 0 AEAELP C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[NH+](C)C 308713547 573769881 /nfs/dbraw/zinc/76/98/81/573769881.db2.gz RTNBXZWDXKPCFC-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP CCC1CC([NH2+]C[C@@H](CC)[NH+](C)C)C1 308714575 573773334 /nfs/dbraw/zinc/77/33/34/573773334.db2.gz AOMARNZPJOXJNA-HTAVTVPLSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C 308719167 573773416 /nfs/dbraw/zinc/77/34/16/573773416.db2.gz CMYZMVMLLMEARY-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C 308719167 573773427 /nfs/dbraw/zinc/77/34/27/573773427.db2.gz CMYZMVMLLMEARY-SDDRHHMPSA-N 2 2 198.354 2.105 10 0 AEAELP C[C@@H]([NH3+])[C@H]([N@H+](C)C1CCC1)C(C)(C)C 127157851 573773909 /nfs/dbraw/zinc/77/39/09/573773909.db2.gz NXJPRYYDPYSOLN-KOLCDFICSA-N 2 2 198.354 2.233 10 0 AEAELP C[C@@H]([NH3+])[C@H]([N@@H+](C)C1CCC1)C(C)(C)C 127157851 573773916 /nfs/dbraw/zinc/77/39/16/573773916.db2.gz NXJPRYYDPYSOLN-KOLCDFICSA-N 2 2 198.354 2.233 10 0 AEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@H+](C)C1CCC1 127358760 573814146 /nfs/dbraw/zinc/81/41/46/573814146.db2.gz MVFUDVRXASLOLS-NEPJUHHUSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[C@@H]([NH3+])[C@H](CC)[N@@H+](C)C1CCC1 127358760 573814152 /nfs/dbraw/zinc/81/41/52/573814152.db2.gz MVFUDVRXASLOLS-NEPJUHHUSA-N 2 2 198.354 2.377 10 0 AEAELP CCC[N@H+](CC)C[C@]1(C)CCCC[NH2+]1 127336758 573826613 /nfs/dbraw/zinc/82/66/13/573826613.db2.gz UWIRGOPXDZCMSO-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CCC[N@@H+](CC)C[C@]1(C)CCCC[NH2+]1 127336758 573826620 /nfs/dbraw/zinc/82/66/20/573826620.db2.gz UWIRGOPXDZCMSO-LBPRGKRZSA-N 2 2 198.354 2.251 10 0 AEAELP CC[C@H](C[NH3+])c1[nH]cc(C2CCC2)[nH+]1 259208402 573831888 /nfs/dbraw/zinc/83/18/88/573831888.db2.gz YEMAIOUYUNBXOE-MRVPVSSYSA-N 2 2 193.294 2.130 10 0 AEAELP CC[C@H](C)[N@@H+]1CCCC[NH2+]C(C)(C)C1 259572895 573832071 /nfs/dbraw/zinc/83/20/71/573832071.db2.gz YSMZNLXUCRVPAF-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC[C@H](C)[N@H+]1CCCC[NH2+]C(C)(C)C1 259572895 573832077 /nfs/dbraw/zinc/83/20/77/573832077.db2.gz YSMZNLXUCRVPAF-NSHDSACASA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)c1c[nH+]ccc1CCC[NH3+] 259209118 573841795 /nfs/dbraw/zinc/84/17/95/573841795.db2.gz JIYBEONJMFJYFB-UHFFFAOYSA-N 2 2 178.279 2.096 10 0 AEAELP CC(C)C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C(C)C 84362873 573858648 /nfs/dbraw/zinc/85/86/48/573858648.db2.gz HZJFNTRYNPORNZ-NEPJUHHUSA-N 2 2 198.354 2.090 10 0 AEAELP CC(C)C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C(C)C 84362873 573858651 /nfs/dbraw/zinc/85/86/51/573858651.db2.gz HZJFNTRYNPORNZ-NEPJUHHUSA-N 2 2 198.354 2.090 10 0 AEAELP C[NH+](C)CC[NH2+][C@H]1C=CCCCCC1 308458075 573865096 /nfs/dbraw/zinc/86/50/96/573865096.db2.gz NQTRKRWIXLYXOR-LBPRGKRZSA-N 2 2 196.338 2.027 10 0 AEAELP CC[NH+](CC)[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]C 43808845 573865144 /nfs/dbraw/zinc/86/51/44/573865144.db2.gz APTRJDJHQNOLCM-SRVKXCTJSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH2+]C)[C@H](C)[NH+]1CCC(C)CC1 43806365 573865164 /nfs/dbraw/zinc/86/51/64/573865164.db2.gz RTBKRASKDITNND-NWDGAFQWSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+]1CCCC[C@@H]1C 43809810 573865178 /nfs/dbraw/zinc/86/51/78/573865178.db2.gz HNMAAIPSYPQXHD-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+]1CCCC[C@@H]1C 43809810 573865185 /nfs/dbraw/zinc/86/51/85/573865185.db2.gz HNMAAIPSYPQXHD-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH+](C)CC[NH2+][C@@H]1C=CCCCCC1 308458073 573865364 /nfs/dbraw/zinc/86/53/64/573865364.db2.gz NQTRKRWIXLYXOR-GFCCVEGCSA-N 2 2 196.338 2.027 10 0 AEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[NH+](CC)CC 43809382 573865456 /nfs/dbraw/zinc/86/54/56/573865456.db2.gz BBIIZTXRQYSWAH-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC(C)C[C@@]1(C)[NH2+][C@H](C)CC(C)(C)[NH2+]1 238171003 573865531 /nfs/dbraw/zinc/86/55/31/573865531.db2.gz JUUPOOUSUFLZCW-PWSUYJOCSA-N 2 2 198.354 2.499 10 0 AEAELP CC[NH+](CC)[C@H]1CCCCC[C@H]1[NH2+]C 43808861 573865828 /nfs/dbraw/zinc/86/58/28/573865828.db2.gz SSCPCBWVIYBZBA-NEPJUHHUSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+][C@H]1CCCC[C@H]1[NH+](CC)CC 43809388 573866015 /nfs/dbraw/zinc/86/60/15/573866015.db2.gz BBIIZTXRQYSWAH-NWDGAFQWSA-N 2 2 198.354 2.249 10 0 AEAELP CC[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCCC[C@@H]1C 43810211 573866039 /nfs/dbraw/zinc/86/60/39/573866039.db2.gz HKNPFLVAUCNFRE-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP CC[NH2+][C@@H](C)[C@H](C)[N@H+]1CCCC[C@@H]1C 43810211 573866045 /nfs/dbraw/zinc/86/60/45/573866045.db2.gz HKNPFLVAUCNFRE-SRVKXCTJSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@H]1CCC[C@H]1[N@@H+]1CCCC[C@@H]1C 43809783 573866063 /nfs/dbraw/zinc/86/60/63/573866063.db2.gz UMVFNPMICPHYNO-SDDRHHMPSA-N 2 2 196.338 2.001 10 0 AEAELP C[NH2+][C@H]1CCC[C@H]1[N@H+]1CCCC[C@@H]1C 43809783 573866067 /nfs/dbraw/zinc/86/60/67/573866067.db2.gz UMVFNPMICPHYNO-SDDRHHMPSA-N 2 2 196.338 2.001 10 0 AEAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+]1CCCC[C@@H]1C 43809808 573866127 /nfs/dbraw/zinc/86/61/27/573866127.db2.gz HNMAAIPSYPQXHD-QJPTWQEYSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+]1CCCC[C@@H]1C 43809808 573866129 /nfs/dbraw/zinc/86/61/29/573866129.db2.gz HNMAAIPSYPQXHD-QJPTWQEYSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH2+]C)[C@@H](C)[NH+]1CCC(C)CC1 43806361 573866187 /nfs/dbraw/zinc/86/61/87/573866187.db2.gz RTBKRASKDITNND-VXGBXAGGSA-N 2 2 198.354 2.105 10 0 AEAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+]1CCCC[C@@H]1C 43809812 573866359 /nfs/dbraw/zinc/86/63/59/573866359.db2.gz HNMAAIPSYPQXHD-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+]1CCCC[C@@H]1C 43809812 573866367 /nfs/dbraw/zinc/86/63/67/573866367.db2.gz HNMAAIPSYPQXHD-SDDRHHMPSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@H]([NH2+]C)[C@H](C)[NH+]1CCC(C)CC1 43806363 573866914 /nfs/dbraw/zinc/86/69/14/573866914.db2.gz RTBKRASKDITNND-RYUDHWBXSA-N 2 2 198.354 2.105 10 0 AEAELP CCC[N@H+](C(C)C)[C@@H](C)[C@@H](C)[NH2+]C 43885081 573875845 /nfs/dbraw/zinc/87/58/45/573875845.db2.gz ONGLEVPNPUXWBO-MNOVXSKESA-N 2 2 186.343 2.103 10 0 AEAELP CCC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)[NH2+]C 43885081 573875852 /nfs/dbraw/zinc/87/58/52/573875852.db2.gz ONGLEVPNPUXWBO-MNOVXSKESA-N 2 2 186.343 2.103 10 0 AEAELP CCC[NH2+][C@@H](CC)[C@H](C)n1cc[nH+]c1 43992670 573878429 /nfs/dbraw/zinc/87/84/29/573878429.db2.gz MACXVRKKHXLOTC-QWRGUYRKSA-N 2 2 195.310 2.222 10 0 AEAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](CC1CC1)C(C)C 43974568 573878660 /nfs/dbraw/zinc/87/86/60/573878660.db2.gz VSAGHMIGUNOSSY-GHMZBOCLSA-N 2 2 198.354 2.103 10 0 AEAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](CC1CC1)C(C)C 43974568 573878663 /nfs/dbraw/zinc/87/86/63/573878663.db2.gz VSAGHMIGUNOSSY-GHMZBOCLSA-N 2 2 198.354 2.103 10 0 AEAELP C[NH2+][C@H](C)[C@H](C)[N@H+](CC(C)C)C1CC1 43972257 573878689 /nfs/dbraw/zinc/87/86/89/573878689.db2.gz FCKLRSGGUOGCNW-MNOVXSKESA-N 2 2 198.354 2.103 10 0 AEAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](CC(C)C)C1CC1 43972257 573878694 /nfs/dbraw/zinc/87/86/94/573878694.db2.gz FCKLRSGGUOGCNW-MNOVXSKESA-N 2 2 198.354 2.103 10 0 AEAELP CC1(C)CC[C@@H]([NH3+])C[N@@H+]1C1CCCC1 259222585 573890357 /nfs/dbraw/zinc/89/03/57/573890357.db2.gz DASJRJATVMLPPD-SNVBAGLBSA-N 2 2 196.338 2.131 10 0 AEAELP CC1(C)CC[C@@H]([NH3+])C[N@H+]1C1CCCC1 259222585 573890361 /nfs/dbraw/zinc/89/03/61/573890361.db2.gz DASJRJATVMLPPD-SNVBAGLBSA-N 2 2 196.338 2.131 10 0 AEAELP CC1(C)CC[C@H]([NH3+])C[N@@H+]1C1CCCC1 259222581 573891218 /nfs/dbraw/zinc/89/12/18/573891218.db2.gz DASJRJATVMLPPD-JTQLQIEISA-N 2 2 196.338 2.131 10 0 AEAELP CC1(C)CC[C@H]([NH3+])C[N@H+]1C1CCCC1 259222581 573891222 /nfs/dbraw/zinc/89/12/22/573891222.db2.gz DASJRJATVMLPPD-JTQLQIEISA-N 2 2 196.338 2.131 10 0 AEAELP C[NH+](C)CC[NH2+]CCC1=CCCCC1 41582476 573903095 /nfs/dbraw/zinc/90/30/95/573903095.db2.gz OUHIVESAAXUHEL-UHFFFAOYSA-N 2 2 196.338 2.028 10 0 AEAELP CC[NH2+][C@@H](C)C[N@H+](CC1CC1)C(C)C 44472504 573907257 /nfs/dbraw/zinc/90/72/57/573907257.db2.gz PQCUNYPZVZJUKH-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP CC[NH2+][C@@H](C)C[N@@H+](CC1CC1)C(C)C 44472504 573907258 /nfs/dbraw/zinc/90/72/58/573907258.db2.gz PQCUNYPZVZJUKH-NSHDSACASA-N 2 2 198.354 2.105 10 0 AEAELP CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 44685498 573914513 /nfs/dbraw/zinc/91/45/13/573914513.db2.gz OQBSGLCJHTWAMA-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 44685498 573914516 /nfs/dbraw/zinc/91/45/16/573914516.db2.gz OQBSGLCJHTWAMA-NSHDSACASA-N 2 2 196.338 2.003 10 0 AEAELP CC(C)CC[NH2+]C[C@H]1CCCC[N@@H+]1C 44562013 573915611 /nfs/dbraw/zinc/91/56/11/573915611.db2.gz GGRCYSXQLSWXGQ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[NH2+]C[C@H]1CCCC[N@H+]1C 44562013 573915616 /nfs/dbraw/zinc/91/56/16/573915616.db2.gz GGRCYSXQLSWXGQ-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[N@H+](C[C@H]([NH3+])CC1CC1)C(C)C 308465303 573934437 /nfs/dbraw/zinc/93/44/37/573934437.db2.gz HQRKPCJPHBITIM-GFCCVEGCSA-N 2 2 198.354 2.234 10 0 AEAELP CCC[N@@H+](C[C@H]([NH3+])CC1CC1)C(C)C 308465303 573934441 /nfs/dbraw/zinc/93/44/41/573934441.db2.gz HQRKPCJPHBITIM-GFCCVEGCSA-N 2 2 198.354 2.234 10 0 AEAELP C[NH2+]C1(C[N@H+](C)C2CCCC2)CCC1 308468447 573938068 /nfs/dbraw/zinc/93/80/68/573938068.db2.gz HBRXEIVRZSONTK-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CCC(CC)[N@H+](C)[C@H]1C[NH2+]C(C)(C)C1 131781888 573937971 /nfs/dbraw/zinc/93/79/71/573937971.db2.gz IKMAAOOAMBRGKX-LLVKDONJSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[N@@H+](C)[C@H]1C[NH2+]C(C)(C)C1 131781888 573937978 /nfs/dbraw/zinc/93/79/78/573937978.db2.gz IKMAAOOAMBRGKX-LLVKDONJSA-N 2 2 198.354 2.247 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)CC(C)(C)C 45072554 573941641 /nfs/dbraw/zinc/94/16/41/573941641.db2.gz WTOPYBHJOFQYNK-VHSXEESVSA-N 2 2 186.343 2.090 10 0 AEAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)CC(C)(C)C 45072554 573941649 /nfs/dbraw/zinc/94/16/49/573941649.db2.gz WTOPYBHJOFQYNK-VHSXEESVSA-N 2 2 186.343 2.090 10 0 AEAELP Cc1ccsc1[C@@H]([NH3+])C[NH2+]C(C)C 259249357 573948135 /nfs/dbraw/zinc/94/81/35/573948135.db2.gz IBJAKDBGFQJWJQ-VIFPVBQESA-N 2 2 198.335 2.054 10 0 AEAELP CCC1CC[NH+](CC[NH2+]C(C)C)CC1 42447295 573955693 /nfs/dbraw/zinc/95/56/93/573955693.db2.gz DFRVRTOPANJQMP-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 42584382 573977171 /nfs/dbraw/zinc/97/71/71/573977171.db2.gz OCOPDFFSBQBNHL-GFCCVEGCSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 42584382 573977176 /nfs/dbraw/zinc/97/71/76/573977176.db2.gz OCOPDFFSBQBNHL-GFCCVEGCSA-N 2 2 198.354 2.105 10 0 AEAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 42581015 573984021 /nfs/dbraw/zinc/98/40/21/573984021.db2.gz YNQNOLKNPANGRI-GRYCIOLGSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 42581015 573984028 /nfs/dbraw/zinc/98/40/28/573984028.db2.gz YNQNOLKNPANGRI-GRYCIOLGSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[N@H+](C(C)C)[C@H]1CCC[C@@H]1[NH3+] 42581675 573985622 /nfs/dbraw/zinc/98/56/22/573985622.db2.gz AMUYSUJROPFIDH-RYUDHWBXSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[N@@H+](C(C)C)[C@H]1CCC[C@@H]1[NH3+] 42581675 573985624 /nfs/dbraw/zinc/98/56/24/573985624.db2.gz AMUYSUJROPFIDH-RYUDHWBXSA-N 2 2 198.354 2.233 10 0 AEAELP CC(C)C[N@H+](C(C)C)[C@@H](C)[C@@H](C)[NH3+] 42581452 573985241 /nfs/dbraw/zinc/98/52/41/573985241.db2.gz KCFVUQJZTDNREF-MNOVXSKESA-N 2 2 186.343 2.089 10 0 AEAELP CC(C)C[N@@H+](C(C)C)[C@@H](C)[C@@H](C)[NH3+] 42581452 573985247 /nfs/dbraw/zinc/98/52/47/573985247.db2.gz KCFVUQJZTDNREF-MNOVXSKESA-N 2 2 186.343 2.089 10 0 AEAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 42580794 573985473 /nfs/dbraw/zinc/98/54/73/573985473.db2.gz LYYFGZSRINOAGO-AXFHLTTASA-N 2 2 186.343 2.089 10 0 AEAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 42580794 573985478 /nfs/dbraw/zinc/98/54/78/573985478.db2.gz LYYFGZSRINOAGO-AXFHLTTASA-N 2 2 186.343 2.089 10 0 AEAELP CCC[C@H]1[NH2+][C@@H](C)CC(C)(C)[N@@H+]1C 238233480 573991276 /nfs/dbraw/zinc/99/12/76/573991276.db2.gz IQDALTRLOGNDNZ-UWVGGRQHSA-N 2 2 184.327 2.205 10 0 AEAELP CCC[C@H]1[NH2+][C@@H](C)CC(C)(C)[N@H+]1C 238233480 573991280 /nfs/dbraw/zinc/99/12/80/573991280.db2.gz IQDALTRLOGNDNZ-UWVGGRQHSA-N 2 2 184.327 2.205 10 0 AEAELP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45651169 573991387 /nfs/dbraw/zinc/99/13/87/573991387.db2.gz ZBSRCQPUZIJUPG-NWDGAFQWSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45651169 573991394 /nfs/dbraw/zinc/99/13/94/573991394.db2.gz ZBSRCQPUZIJUPG-NWDGAFQWSA-N 2 2 198.354 2.103 10 0 AEAELP CC(C)CC[NH2+]CC[N@H+](C)C1CCC1 127931655 573995477 /nfs/dbraw/zinc/99/54/77/573995477.db2.gz RUIAPDDAMJGFCW-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CC(C)CC[NH2+]CC[N@@H+](C)C1CCC1 127931655 573995480 /nfs/dbraw/zinc/99/54/80/573995480.db2.gz RUIAPDDAMJGFCW-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCC(CC)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649922 573995530 /nfs/dbraw/zinc/99/55/30/573995530.db2.gz MNXGRFXXGSWBJK-GFCCVEGCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649922 573995534 /nfs/dbraw/zinc/99/55/34/573995534.db2.gz MNXGRFXXGSWBJK-GFCCVEGCSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45649924 573995726 /nfs/dbraw/zinc/99/57/26/573995726.db2.gz MNXGRFXXGSWBJK-LBPRGKRZSA-N 2 2 198.354 2.247 10 0 AEAELP CCC(CC)[NH2+][C@H]1CC[N@H+](C(C)C)C1 45649924 573995731 /nfs/dbraw/zinc/99/57/31/573995731.db2.gz MNXGRFXXGSWBJK-LBPRGKRZSA-N 2 2 198.354 2.247 10 0 AEAELP C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1(C)C 259300107 574001405 /nfs/dbraw/zinc/00/14/05/574001405.db2.gz HLEUGAXHRXEUEN-NSHDSACASA-N 2 2 196.338 2.001 10 0 AEAELP C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1(C)C 259300107 574001411 /nfs/dbraw/zinc/00/14/11/574001411.db2.gz HLEUGAXHRXEUEN-NSHDSACASA-N 2 2 196.338 2.001 10 0 AEAELP CC(C)c1c[nH+]ccc1C[C@H](C)[NH3+] 259276419 574020492 /nfs/dbraw/zinc/02/04/92/574020492.db2.gz MBTFOWPDPICNRT-VIFPVBQESA-N 2 2 178.279 2.095 10 0 AEAELP CCC[N@H+](CC)CC12CCC(CC1)[NH2+]2 675056980 538449154 /nfs/dbraw/zinc/44/91/54/538449154.db2.gz ZQRYRLNYBRWFTP-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[N@@H+](CC)CC12CCC(CC1)[NH2+]2 675056980 538449155 /nfs/dbraw/zinc/44/91/55/538449155.db2.gz ZQRYRLNYBRWFTP-UHFFFAOYSA-N 2 2 196.338 2.003 10 0 AEAELP C[C@@H](C[NH+](C)C)[NH2+]CC1(C)CCCC1 162742116 630058667 /nfs/dbraw/zinc/05/86/67/630058667.db2.gz GRMRMWBZMFHGSJ-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 924524739 631032393 /nfs/dbraw/zinc/03/23/93/631032393.db2.gz JJEJGOKSPRLNRI-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 924524739 631032399 /nfs/dbraw/zinc/03/23/99/631032399.db2.gz JJEJGOKSPRLNRI-VXGBXAGGSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 924524736 631032901 /nfs/dbraw/zinc/03/29/01/631032901.db2.gz JJEJGOKSPRLNRI-NWDGAFQWSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 924524736 631032902 /nfs/dbraw/zinc/03/29/02/631032902.db2.gz JJEJGOKSPRLNRI-NWDGAFQWSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 924524731 631033476 /nfs/dbraw/zinc/03/34/76/631033476.db2.gz JJEJGOKSPRLNRI-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 924524731 631033488 /nfs/dbraw/zinc/03/34/88/631033488.db2.gz JJEJGOKSPRLNRI-NEPJUHHUSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 924524738 631034061 /nfs/dbraw/zinc/03/40/61/631034061.db2.gz JJEJGOKSPRLNRI-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 924524738 631034063 /nfs/dbraw/zinc/03/40/63/631034063.db2.gz JJEJGOKSPRLNRI-RYUDHWBXSA-N 2 2 196.338 2.003 10 0 AEAELP CCCC[C@H](CC)[NH2+]CC1C[NH+](C)C1 379422718 1224314612 /nfs/dbraw/zinc/31/46/12/1224314612.db2.gz BCBDGVKQXKZBGK-LBPRGKRZSA-N 2 2 198.354 2.106 10 0 AEAELP CCCC[C@@H](CC)[NH2+]CC1C[NH+](C)C1 379422716 1224315083 /nfs/dbraw/zinc/31/50/83/1224315083.db2.gz BCBDGVKQXKZBGK-GFCCVEGCSA-N 2 2 198.354 2.106 10 0 AEAELP CCCCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 379475899 1224316019 /nfs/dbraw/zinc/31/60/19/1224316019.db2.gz RCICZTDXQWDAQC-LLVKDONJSA-N 2 2 198.354 2.106 10 0 AEAELP CCCCC[C@H](C)[NH2+]CC1C[NH+](C)C1 379475900 1224316271 /nfs/dbraw/zinc/31/62/71/1224316271.db2.gz RCICZTDXQWDAQC-NSHDSACASA-N 2 2 198.354 2.106 10 0 AEAELP CCCC(CCC)[NH2+]CC1C[NH+](C)C1 379476687 1224316674 /nfs/dbraw/zinc/31/66/74/1224316674.db2.gz VMUUCIWJNJIJDD-UHFFFAOYSA-N 2 2 198.354 2.106 10 0 AEAELP CCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C)C 389271297 538440242 /nfs/dbraw/zinc/44/02/42/538440242.db2.gz LVLXOCKLIMCVCP-VXGBXAGGSA-N 2 2 198.354 2.106 10 0 AEAELP