smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1CC[C@H]([NH3+])[C@]12C[NH+]1CCC2CC1 ZINC000685953489 538897779 /nfs/dbraw/zinc/89/77/79/538897779.db2.gz HTVPHQJOTMNBKU-QWHCGFSZSA-N 2 2 223.364 0.894 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955260 538900306 /nfs/dbraw/zinc/90/03/06/538900306.db2.gz WYUSERNHGQMRDE-NEPJUHHUSA-N 2 2 209.337 0.504 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955260 538900307 /nfs/dbraw/zinc/90/03/07/538900307.db2.gz WYUSERNHGQMRDE-NEPJUHHUSA-N 2 2 209.337 0.504 10 0 BCAELP CCN1CC[C@@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 ZINC000685955260 538900308 /nfs/dbraw/zinc/90/03/08/538900308.db2.gz WYUSERNHGQMRDE-NEPJUHHUSA-N 2 2 209.337 0.504 10 0 BCAELP CC(C)N1CC[C@H]([NH3+])[C@]12C[NH+]1CCC2CC1 ZINC000685955214 538900440 /nfs/dbraw/zinc/90/04/40/538900440.db2.gz WITDNCHBQACLQS-QWHCGFSZSA-N 2 2 223.364 0.892 10 0 BCAELP CC(C)N1CC[C@@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 ZINC000685955213 538900980 /nfs/dbraw/zinc/90/09/80/538900980.db2.gz WITDNCHBQACLQS-OLZOCXBDSA-N 2 2 223.364 0.892 10 0 BCAELP CC[N@@H+]1CCO[C@H](Cn2c[nH+]c(N)c2)C1 ZINC000685964199 538911087 /nfs/dbraw/zinc/91/10/87/538911087.db2.gz LECSOOMEDPOAJH-VIFPVBQESA-N 2 2 210.281 0.186 10 0 BCAELP CC[N@H+]1CCO[C@H](Cn2c[nH+]c(N)c2)C1 ZINC000685964199 538911088 /nfs/dbraw/zinc/91/10/88/538911088.db2.gz LECSOOMEDPOAJH-VIFPVBQESA-N 2 2 210.281 0.186 10 0 BCAELP C[C@@H]1C[NH2+][C@@](C)([C@@H]2C[NH2+]CCO2)S1 ZINC000575516828 398176239 /nfs/dbraw/zinc/17/62/39/398176239.db2.gz DLCWDDSELWVQPL-HRDYMLBCSA-N 2 2 202.323 0.416 10 0 BCAELP Cc1cc(C)n(CC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000386764445 398219835 /nfs/dbraw/zinc/21/98/35/398219835.db2.gz JCYNYOAKEMXYOP-CABZTGNLSA-N 2 2 222.336 0.779 10 0 BCAELP Cc1cc(C)n(CC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000386764445 398219837 /nfs/dbraw/zinc/21/98/37/398219837.db2.gz JCYNYOAKEMXYOP-CABZTGNLSA-N 2 2 222.336 0.779 10 0 BCAELP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC000108945590 178169553 /nfs/dbraw/zinc/16/95/53/178169553.db2.gz WPZNHWDYSXDFTL-NSHDSACASA-N 2 2 236.319 0.836 10 0 BCAELP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC000108945590 178169556 /nfs/dbraw/zinc/16/95/56/178169556.db2.gz WPZNHWDYSXDFTL-NSHDSACASA-N 2 2 236.319 0.836 10 0 BCAELP Cc1[nH]c(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c[nH+]1 ZINC000335021787 398275313 /nfs/dbraw/zinc/27/53/13/398275313.db2.gz FOUHCBSVUHCPTE-APPZFPTMSA-N 2 2 222.292 0.588 10 0 BCAELP C[C@H](CNC(=O)OC(C)(C)C)[C@@H]([NH3+])C[NH3+] ZINC000306651588 361856346 /nfs/dbraw/zinc/85/63/46/361856346.db2.gz GGLZNOJSKKDWLF-SFYZADRCSA-N 2 2 217.313 0.433 10 0 BCAELP Cn1cc[nH+]c1CCNc1cc[nH+]cc1C(N)=O ZINC000302128454 187207361 /nfs/dbraw/zinc/20/73/61/187207361.db2.gz BIUOHUWAKBFMSA-UHFFFAOYSA-N 2 2 245.286 0.569 10 0 BCAELP COc1cc([C@H]([NH3+])C[NH3+])cc(OC)c1O ZINC000072200809 343069400 /nfs/dbraw/zinc/06/94/00/343069400.db2.gz ZBGPRMDHBSKIDC-SSDOTTSWSA-N 2 2 212.249 0.368 10 0 BCAELP C[N@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802663 488208276 /nfs/dbraw/zinc/20/82/76/488208276.db2.gz XZLKAQQXDAOYEH-MNOVXSKESA-N 2 2 214.309 0.086 10 0 BCAELP C[N@@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000043802663 488208279 /nfs/dbraw/zinc/20/82/79/488208279.db2.gz XZLKAQQXDAOYEH-MNOVXSKESA-N 2 2 214.309 0.086 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C)O2)[C@@](C)(C[NH3+])C1 ZINC000634688464 343247612 /nfs/dbraw/zinc/24/76/12/343247612.db2.gz TVNBTLUWCQSGKE-ZDEQEGDKSA-N 2 2 242.363 0.992 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C)O2)[C@@](C)(C[NH3+])C1 ZINC000634688464 343247613 /nfs/dbraw/zinc/24/76/13/343247613.db2.gz TVNBTLUWCQSGKE-ZDEQEGDKSA-N 2 2 242.363 0.992 10 0 BCAELP C[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718046 343290210 /nfs/dbraw/zinc/29/02/10/343290210.db2.gz RAMNUJUPQFTTTN-PSASIEDQSA-N 2 2 208.309 0.984 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccnnc2)C1 ZINC000616621488 343524064 /nfs/dbraw/zinc/52/40/64/343524064.db2.gz PVDZIYZYCCGRPO-NSHDSACASA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccnnc2)C1 ZINC000616621488 343524065 /nfs/dbraw/zinc/52/40/65/343524065.db2.gz PVDZIYZYCCGRPO-NSHDSACASA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+][C@H]1CCC2(C[C@H]1n1cc[nH+]c1)OCCO2 ZINC000023072028 344039139 /nfs/dbraw/zinc/03/91/39/344039139.db2.gz WTWHZOQWAJDPKO-VHSXEESVSA-N 2 2 223.276 0.679 10 0 BCAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000313261158 343965720 /nfs/dbraw/zinc/96/57/20/343965720.db2.gz IQZASTSOEXHEDJ-LLVKDONJSA-N 2 2 225.336 0.959 10 0 BCAELP CCOC(=O)[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000043637908 187293267 /nfs/dbraw/zinc/29/32/67/187293267.db2.gz OZZTXEIYHAPHQG-SECBINFHSA-N 2 2 211.265 0.424 10 0 BCAELP COC(=O)[C@H]([NH3+])[C@@H](C)n1cc(C)[nH+]c1C ZINC000715107001 537862904 /nfs/dbraw/zinc/86/29/04/537862904.db2.gz HXAVFSCBHJMPSW-VXNVDRBHSA-N 2 2 211.265 0.561 10 0 BCAELP COC(=O)[C@@H]([NH3+])[C@H](C)n1cc(C)[nH+]c1C ZINC000715106998 537863524 /nfs/dbraw/zinc/86/35/24/537863524.db2.gz HXAVFSCBHJMPSW-CBAPKCEASA-N 2 2 211.265 0.561 10 0 BCAELP CCn1ccnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999636 345200356 /nfs/dbraw/zinc/20/03/56/345200356.db2.gz XDTJANJRDZSARJ-QWRGUYRKSA-N 2 2 222.336 0.930 10 0 BCAELP CCn1ccnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999636 345200358 /nfs/dbraw/zinc/20/03/58/345200358.db2.gz XDTJANJRDZSARJ-QWRGUYRKSA-N 2 2 222.336 0.930 10 0 BCAELP CCn1ccnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999635 345200690 /nfs/dbraw/zinc/20/06/90/345200690.db2.gz XDTJANJRDZSARJ-MNOVXSKESA-N 2 2 222.336 0.930 10 0 BCAELP CCn1ccnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999635 345200692 /nfs/dbraw/zinc/20/06/92/345200692.db2.gz XDTJANJRDZSARJ-MNOVXSKESA-N 2 2 222.336 0.930 10 0 BCAELP Cc1cn[nH]c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999719 345200745 /nfs/dbraw/zinc/20/07/45/345200745.db2.gz YHNKYDXKAGQLTG-VHSXEESVSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1cn[nH]c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999719 345200747 /nfs/dbraw/zinc/20/07/47/345200747.db2.gz YHNKYDXKAGQLTG-VHSXEESVSA-N 2 2 208.309 0.745 10 0 BCAELP Cn1c(Cl)ncc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077710 537895150 /nfs/dbraw/zinc/89/51/50/537895150.db2.gz HNWPFNPTPYUJPO-ZETCQYMHSA-N 2 2 212.684 0.387 10 0 BCAELP COc1ccncc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077236 537893683 /nfs/dbraw/zinc/89/36/83/537893683.db2.gz BIDKDCHTSQYHMF-SECBINFHSA-N 2 2 205.261 0.404 10 0 BCAELP C[C@@H]1CN(CC(F)(F)C[NH3+])CC[N@@H+]1C ZINC000306282358 537912290 /nfs/dbraw/zinc/91/22/90/537912290.db2.gz ACZCBFQOQSKVQP-MRVPVSSYSA-N 2 2 207.268 0.216 10 0 BCAELP C[C@@H]1CN(CC(F)(F)C[NH3+])CC[N@H+]1C ZINC000306282358 537912293 /nfs/dbraw/zinc/91/22/93/537912293.db2.gz ACZCBFQOQSKVQP-MRVPVSSYSA-N 2 2 207.268 0.216 10 0 BCAELP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000381468881 345990012 /nfs/dbraw/zinc/99/00/12/345990012.db2.gz NMXUIAJMCTVUEZ-GXSJLCMTSA-N 2 2 221.304 0.618 10 0 BCAELP CCC[N@H+](CC)C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378597 537967842 /nfs/dbraw/zinc/96/78/42/537967842.db2.gz IRCIXNSEHVHWTL-NWDGAFQWSA-N 3 2 213.369 0.903 10 0 BCAELP CCC[N@@H+](CC)C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378597 537967848 /nfs/dbraw/zinc/96/78/48/537967848.db2.gz IRCIXNSEHVHWTL-NWDGAFQWSA-N 3 2 213.369 0.903 10 0 BCAELP CCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378598 537968610 /nfs/dbraw/zinc/96/86/10/537968610.db2.gz IRCIXNSEHVHWTL-RYUDHWBXSA-N 3 2 213.369 0.903 10 0 BCAELP CCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378598 537968613 /nfs/dbraw/zinc/96/86/13/537968613.db2.gz IRCIXNSEHVHWTL-RYUDHWBXSA-N 3 2 213.369 0.903 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389423844 346463620 /nfs/dbraw/zinc/46/36/20/346463620.db2.gz WEQDNDKRVCEREX-STQMWFEESA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389423844 346463625 /nfs/dbraw/zinc/46/36/25/346463625.db2.gz WEQDNDKRVCEREX-STQMWFEESA-N 2 2 244.379 0.848 10 0 BCAELP [NH3+]C1(C[NH+]2CCSCC2)CCOCC1 ZINC000149765807 347514005 /nfs/dbraw/zinc/51/40/05/347514005.db2.gz YNPZNOLTKRBUDV-UHFFFAOYSA-N 2 2 216.350 0.543 10 0 BCAELP Cc1ccccc1[C@H](C[NH3+])[NH+](CCO)CCO ZINC000043035955 179342421 /nfs/dbraw/zinc/34/24/21/179342421.db2.gz LPHZSUVIBDSTKE-ZDUSSCGKSA-N 2 2 238.331 0.281 10 0 BCAELP CCC[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669382532 538002941 /nfs/dbraw/zinc/00/29/41/538002941.db2.gz MLALCEJRMOQRRS-MRVPVSSYSA-N 2 2 208.252 0.346 10 0 BCAELP CC(C)[N@@H+]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245965 538004772 /nfs/dbraw/zinc/00/47/72/538004772.db2.gz OLVJWQYSFIUAGV-CMPLNLGQSA-N 2 2 210.321 0.895 10 0 BCAELP CC(C)[N@H+]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245965 538004774 /nfs/dbraw/zinc/00/47/74/538004774.db2.gz OLVJWQYSFIUAGV-CMPLNLGQSA-N 2 2 210.321 0.895 10 0 BCAELP CCCC[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669383768 538009902 /nfs/dbraw/zinc/00/99/02/538009902.db2.gz YEQHCMKXUGFOIW-VIFPVBQESA-N 2 2 222.279 0.736 10 0 BCAELP Cc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235324633 191003855 /nfs/dbraw/zinc/00/38/55/191003855.db2.gz XXNWTLANMIDMHO-KCJUWKMLSA-N 2 2 208.309 0.508 10 0 BCAELP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235324633 191003858 /nfs/dbraw/zinc/00/38/58/191003858.db2.gz XXNWTLANMIDMHO-KCJUWKMLSA-N 2 2 208.309 0.508 10 0 BCAELP Cc1nccc(C[NH+]2CCC([NH3+])CC2)n1 ZINC000044994774 180184811 /nfs/dbraw/zinc/18/48/11/180184811.db2.gz PBNNESPXFREIKY-UHFFFAOYSA-N 2 2 206.293 0.708 10 0 BCAELP C[NH+](C)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000037873793 350289486 /nfs/dbraw/zinc/28/94/86/350289486.db2.gz ZSHMFQSKNUKREM-GFCCVEGCSA-N 2 2 208.305 0.699 10 0 BCAELP CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000328361949 350399060 /nfs/dbraw/zinc/39/90/60/350399060.db2.gz QAWRQWOWOPTGTE-WDEREUQCSA-N 2 2 216.325 0.068 10 0 BCAELP CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000328361949 350399062 /nfs/dbraw/zinc/39/90/62/350399062.db2.gz QAWRQWOWOPTGTE-WDEREUQCSA-N 2 2 216.325 0.068 10 0 BCAELP CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000228300313 191101570 /nfs/dbraw/zinc/10/15/70/191101570.db2.gz KWHSUTDNKYNKAF-GFCCVEGCSA-N 2 2 241.379 0.833 10 0 BCAELP CC(C)CNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000228300313 191101573 /nfs/dbraw/zinc/10/15/73/191101573.db2.gz KWHSUTDNKYNKAF-GFCCVEGCSA-N 2 2 241.379 0.833 10 0 BCAELP Cn1c[nH+]cc1-c1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000725266156 538094218 /nfs/dbraw/zinc/09/42/18/538094218.db2.gz QTAQLPCONFGDII-SECBINFHSA-N 2 2 232.291 0.603 10 0 BCAELP OCC[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616601261 350781612 /nfs/dbraw/zinc/78/16/12/350781612.db2.gz NJCDNEKKJZPWKN-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP OCC[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616601261 350781616 /nfs/dbraw/zinc/78/16/16/350781616.db2.gz NJCDNEKKJZPWKN-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP NC(=O)c1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616614397 350832582 /nfs/dbraw/zinc/83/25/82/350832582.db2.gz MUFNIIVVVYNBJM-GFCCVEGCSA-N 2 2 233.315 0.534 10 0 BCAELP NC(=O)c1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616614397 350832584 /nfs/dbraw/zinc/83/25/84/350832584.db2.gz MUFNIIVVVYNBJM-GFCCVEGCSA-N 2 2 233.315 0.534 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616614627 350836336 /nfs/dbraw/zinc/83/63/36/350836336.db2.gz SSVJZEZJPMGOKD-CYBMUJFWSA-N 2 2 234.343 0.969 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccccc2CCO)C1 ZINC000616614627 350836338 /nfs/dbraw/zinc/83/63/38/350836338.db2.gz SSVJZEZJPMGOKD-CYBMUJFWSA-N 2 2 234.343 0.969 10 0 BCAELP NC(=O)c1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000616614869 350841479 /nfs/dbraw/zinc/84/14/79/350841479.db2.gz YRVWEZHPLLPDJJ-SNVBAGLBSA-N 2 2 233.315 0.534 10 0 BCAELP NC(=O)c1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616614869 350841481 /nfs/dbraw/zinc/84/14/81/350841481.db2.gz YRVWEZHPLLPDJJ-SNVBAGLBSA-N 2 2 233.315 0.534 10 0 BCAELP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCOCO2)C1 ZINC000252687555 350914100 /nfs/dbraw/zinc/91/41/00/350914100.db2.gz LQFGWUIVOUFBJV-NXEZZACHSA-N 2 2 200.282 0.043 10 0 BCAELP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCOCO2)C1 ZINC000252687555 350914103 /nfs/dbraw/zinc/91/41/03/350914103.db2.gz LQFGWUIVOUFBJV-NXEZZACHSA-N 2 2 200.282 0.043 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cncnc2)C1 ZINC000616620687 350945300 /nfs/dbraw/zinc/94/53/00/350945300.db2.gz MNVWWSCPNNCTKP-SNVBAGLBSA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cncnc2)C1 ZINC000616620687 350945303 /nfs/dbraw/zinc/94/53/03/350945303.db2.gz MNVWWSCPNNCTKP-SNVBAGLBSA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616629737 351100699 /nfs/dbraw/zinc/10/06/99/351100699.db2.gz PRAKFAKRTFAZEF-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ncc[nH]2)C1 ZINC000616629737 351100700 /nfs/dbraw/zinc/10/07/00/351100700.db2.gz PRAKFAKRTFAZEF-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnno2)CC1 ZINC000616629707 351100737 /nfs/dbraw/zinc/10/07/37/351100737.db2.gz ZOMMVAAQTXLKSU-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnno2)CC1 ZINC000616629707 351100738 /nfs/dbraw/zinc/10/07/38/351100738.db2.gz ZOMMVAAQTXLKSU-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cnno2)C1 ZINC000616629763 351100880 /nfs/dbraw/zinc/10/08/80/351100880.db2.gz PVQJBGDBYZYFBU-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cnno2)C1 ZINC000616629763 351100884 /nfs/dbraw/zinc/10/08/84/351100884.db2.gz PVQJBGDBYZYFBU-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616630621 351103307 /nfs/dbraw/zinc/10/33/07/351103307.db2.gz RNLQRQVVMSKEOI-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cc[nH]n2)C1 ZINC000616630621 351103310 /nfs/dbraw/zinc/10/33/10/351103310.db2.gz RNLQRQVVMSKEOI-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616626655 351106325 /nfs/dbraw/zinc/10/63/25/351106325.db2.gz CEAMRAMHODWMCF-LLVKDONJSA-N 2 2 209.293 0.902 10 0 BCAELP OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616626655 351106327 /nfs/dbraw/zinc/10/63/27/351106327.db2.gz CEAMRAMHODWMCF-LLVKDONJSA-N 2 2 209.293 0.902 10 0 BCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@H](CC[NH3+])C1 ZINC000616632783 351113851 /nfs/dbraw/zinc/11/38/51/351113851.db2.gz WGTDAGKBJOKWDT-SECBINFHSA-N 2 2 229.324 0.544 10 0 BCAELP C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000079521318 351071075 /nfs/dbraw/zinc/07/10/75/351071075.db2.gz XQICOGZFPACAOH-LBPRGKRZSA-N 2 2 234.303 0.367 10 0 BCAELP [NH3+]CCN1CCCOC[C@@H]1c1c[nH+]c[nH]1 ZINC000616645165 351166587 /nfs/dbraw/zinc/16/65/87/351166587.db2.gz HIGVXKMJVVSODH-SNVBAGLBSA-N 2 2 210.281 0.132 10 0 BCAELP [NH3+]CCN1CCCOC[C@@H]1c1c[nH]c[nH+]1 ZINC000616645165 351166591 /nfs/dbraw/zinc/16/65/91/351166591.db2.gz HIGVXKMJVVSODH-SNVBAGLBSA-N 2 2 210.281 0.132 10 0 BCAELP [NH3+][C@H]1CC=C(C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000638096989 351977627 /nfs/dbraw/zinc/97/76/27/351977627.db2.gz PPNZFNZJDIJENI-JTQLQIEISA-N 2 2 232.287 0.273 10 0 BCAELP C[C@@H]1CCSCC[N@@H+]1[C@@H](C[NH3+])CO ZINC000306636890 353030782 /nfs/dbraw/zinc/03/07/82/353030782.db2.gz MAQUOQWIJQFKPF-BDAKNGLRSA-N 2 2 204.339 0.133 10 0 BCAELP C[C@@H]1CCSCC[N@H+]1[C@@H](C[NH3+])CO ZINC000306636890 353030786 /nfs/dbraw/zinc/03/07/86/353030786.db2.gz MAQUOQWIJQFKPF-BDAKNGLRSA-N 2 2 204.339 0.133 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NCC[C@H]1CC[NH2+]C1 ZINC000110798925 180822486 /nfs/dbraw/zinc/82/24/86/180822486.db2.gz XFUPHMGOULLRJP-SECBINFHSA-N 2 2 246.318 0.775 10 0 BCAELP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000261983587 535198462 /nfs/dbraw/zinc/19/84/62/535198462.db2.gz RQEADGOXHDXGAJ-SECBINFHSA-N 2 2 223.324 0.721 10 0 BCAELP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000261983587 535198466 /nfs/dbraw/zinc/19/84/66/535198466.db2.gz RQEADGOXHDXGAJ-SECBINFHSA-N 2 2 223.324 0.721 10 0 BCAELP Cc1n[nH]cc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000398972187 353400964 /nfs/dbraw/zinc/40/09/64/353400964.db2.gz WZTMCYARLTYNQG-UHFFFAOYSA-N 2 2 238.335 0.264 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234516446 363423698 /nfs/dbraw/zinc/42/36/98/363423698.db2.gz HWMHSIKBXHHSDJ-IUCAKERBSA-N 2 2 200.282 0.219 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234516446 363423701 /nfs/dbraw/zinc/42/37/01/363423701.db2.gz HWMHSIKBXHHSDJ-IUCAKERBSA-N 2 2 200.282 0.219 10 0 BCAELP NC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000083303504 181192859 /nfs/dbraw/zinc/19/28/59/181192859.db2.gz PULDLBGVXVUTOG-NSHDSACASA-N 2 2 219.288 0.823 10 0 BCAELP NC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000083303504 181192860 /nfs/dbraw/zinc/19/28/60/181192860.db2.gz PULDLBGVXVUTOG-NSHDSACASA-N 2 2 219.288 0.823 10 0 BCAELP NC(=[NH2+])c1ccccc1C[NH+]1CCOCC1 ZINC000019435506 181196261 /nfs/dbraw/zinc/19/62/61/181196261.db2.gz QSCARCOKGGQAGN-UHFFFAOYSA-N 2 2 219.288 0.803 10 0 BCAELP CCCn1nncc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077577 538514315 /nfs/dbraw/zinc/51/43/15/538514315.db2.gz GDHNRMDKLQWAQA-VIFPVBQESA-N 2 2 207.281 0.002 10 0 BCAELP Nc1cc(CC2=C[C@@H](O)C[NH2+]C2)cc[nH+]1 ZINC000675078328 538515569 /nfs/dbraw/zinc/51/55/69/538515569.db2.gz XNRYTYILILTYKL-SNVBAGLBSA-N 2 2 205.261 0.097 10 0 BCAELP COc1nc(C2=C[C@H]([NH3+])C[NH2+]C2)cs1 ZINC000675078583 538516169 /nfs/dbraw/zinc/51/61/69/538516169.db2.gz QZBHQRXUNKFFQX-ZETCQYMHSA-N 2 2 211.290 0.466 10 0 BCAELP COc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)sn1 ZINC000675077287 538512287 /nfs/dbraw/zinc/51/22/87/538512287.db2.gz BUHSZWHMVNGDOY-SSDOTTSWSA-N 2 2 211.290 0.466 10 0 BCAELP C[NH2+][C@@]1(C(N)=O)CC[C@H](n2cc[nH+]c2)C1 ZINC000086626554 538557872 /nfs/dbraw/zinc/55/78/72/538557872.db2.gz JTIRLNZGVYIUCN-WPRPVWTQSA-N 2 2 208.265 0.052 10 0 BCAELP COC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000685947390 538889225 /nfs/dbraw/zinc/88/92/25/538889225.db2.gz VDVZLBDCSUMTDG-OLZOCXBDSA-N 2 2 248.326 0.927 10 0 BCAELP [NH3+][C@H]1C[C@H]([NH+]2CCOCC2)C12CCOCC2 ZINC000685949197 538892577 /nfs/dbraw/zinc/89/25/77/538892577.db2.gz LQCHJNXEWSMWIL-QWRGUYRKSA-N 2 2 226.320 0.215 10 0 BCAELP O=C1CC[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000168570038 134227067 /nfs/dbraw/zinc/22/70/67/134227067.db2.gz SAGZMRAWSUIKFV-VXGBXAGGSA-N 2 2 237.347 0.293 10 0 BCAELP O=C1CC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000168570038 134227068 /nfs/dbraw/zinc/22/70/68/134227068.db2.gz SAGZMRAWSUIKFV-VXGBXAGGSA-N 2 2 237.347 0.293 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168968212 358001718 /nfs/dbraw/zinc/00/17/18/358001718.db2.gz FMPVVBXVEZRJIF-XHNCKOQMSA-N 2 2 200.282 0.360 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000168968212 358001720 /nfs/dbraw/zinc/00/17/20/358001720.db2.gz FMPVVBXVEZRJIF-XHNCKOQMSA-N 2 2 200.282 0.360 10 0 BCAELP COCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226229757 358336601 /nfs/dbraw/zinc/33/66/01/358336601.db2.gz ABDQSVQMKGUFPH-VXGBXAGGSA-N 2 2 230.352 0.458 10 0 BCAELP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000226229757 358336603 /nfs/dbraw/zinc/33/66/03/358336603.db2.gz ABDQSVQMKGUFPH-VXGBXAGGSA-N 2 2 230.352 0.458 10 0 BCAELP C[N@@H+]1CCN(c2ncccc2F)[C@@H](C[NH3+])C1 ZINC000226622539 358341469 /nfs/dbraw/zinc/34/14/69/358341469.db2.gz CBZYDDANQDULOA-VIFPVBQESA-N 2 2 224.283 0.300 10 0 BCAELP C[N@H+]1CCN(c2ncccc2F)[C@@H](C[NH3+])C1 ZINC000226622539 358341472 /nfs/dbraw/zinc/34/14/72/358341472.db2.gz CBZYDDANQDULOA-VIFPVBQESA-N 2 2 224.283 0.300 10 0 BCAELP C[C@@H]([NH3+])C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000228267665 358372086 /nfs/dbraw/zinc/37/20/86/358372086.db2.gz CMSOSPXOCDXAHP-HTQZYQBOSA-N 2 2 234.307 0.901 10 0 BCAELP CCc1cc(N2CCO[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000088759966 359976756 /nfs/dbraw/zinc/97/67/56/359976756.db2.gz WGWMTWDXKNEGLY-LLVKDONJSA-N 2 2 236.319 0.511 10 0 BCAELP [NH3+][C@@H]1CC[C@H]([N@@H+]2CCC[S@@](=O)CC2)C1 ZINC000306490536 360202660 /nfs/dbraw/zinc/20/26/60/360202660.db2.gz VGIZHDBGWVSMDX-ISTVAULSSA-N 2 2 216.350 0.321 10 0 BCAELP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC[S@@](=O)CC2)C1 ZINC000306490536 360202664 /nfs/dbraw/zinc/20/26/64/360202664.db2.gz VGIZHDBGWVSMDX-ISTVAULSSA-N 2 2 216.350 0.321 10 0 BCAELP C[C@H]1C[N@H+](CCOC2CCOCC2)C[C@H]1[NH3+] ZINC000629535231 361410142 /nfs/dbraw/zinc/41/01/42/361410142.db2.gz FMNBCQJANWBFKC-CMPLNLGQSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1C[N@@H+](CCOC2CCOCC2)C[C@H]1[NH3+] ZINC000629535231 361410145 /nfs/dbraw/zinc/41/01/45/361410145.db2.gz FMNBCQJANWBFKC-CMPLNLGQSA-N 2 2 228.336 0.461 10 0 BCAELP [NH3+]CC(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037045734 181353361 /nfs/dbraw/zinc/35/33/61/181353361.db2.gz NNMXROBRNRSDPE-RKDXNWHRSA-N 2 2 208.265 0.052 10 0 BCAELP CO[C@H]1CN(Cc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630359188 364076202 /nfs/dbraw/zinc/07/62/02/364076202.db2.gz BZFVYSSBTGKBRB-VXGBXAGGSA-N 2 2 238.335 0.358 10 0 BCAELP CO[C@H]1C[N@H+](CCOCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630364674 364083042 /nfs/dbraw/zinc/08/30/42/364083042.db2.gz QCTKOUTZWVDGIA-OLZOCXBDSA-N 2 2 242.363 0.851 10 0 BCAELP CO[C@H]1C[N@@H+](CCOCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630364674 364083048 /nfs/dbraw/zinc/08/30/48/364083048.db2.gz QCTKOUTZWVDGIA-OLZOCXBDSA-N 2 2 242.363 0.851 10 0 BCAELP CO[C@@H]1C[N@H+](CCOCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630364676 364083638 /nfs/dbraw/zinc/08/36/38/364083638.db2.gz QCTKOUTZWVDGIA-STQMWFEESA-N 2 2 242.363 0.851 10 0 BCAELP CO[C@@H]1C[N@@H+](CCOCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630364676 364083640 /nfs/dbraw/zinc/08/36/40/364083640.db2.gz QCTKOUTZWVDGIA-STQMWFEESA-N 2 2 242.363 0.851 10 0 BCAELP [NH3+]CC1CC[NH+](CC(=O)c2ccccn2)CC1 ZINC000095072683 181365722 /nfs/dbraw/zinc/36/57/22/181365722.db2.gz ZIJNINWGQIAMBX-UHFFFAOYSA-N 2 2 233.315 0.935 10 0 BCAELP [NH3+]CCC[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000035688498 181383395 /nfs/dbraw/zinc/38/33/95/181383395.db2.gz GMYBPFRHMQFCCR-JTQLQIEISA-N 2 2 240.328 0.453 10 0 BCAELP [NH3+]CC[C@@H](N1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000062248320 181403023 /nfs/dbraw/zinc/40/30/23/181403023.db2.gz CPGOMRHZUSAARB-MRVPVSSYSA-N 2 2 248.252 0.978 10 0 BCAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000383747805 367651413 /nfs/dbraw/zinc/65/14/13/367651413.db2.gz DIVQHAMZLPTZDP-NWDGAFQWSA-N 2 2 243.395 0.229 10 0 BCAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000383747805 367651415 /nfs/dbraw/zinc/65/14/15/367651415.db2.gz DIVQHAMZLPTZDP-NWDGAFQWSA-N 2 2 243.395 0.229 10 0 BCAELP C[N@@H+]1CCN(c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000087613851 367915444 /nfs/dbraw/zinc/91/54/44/367915444.db2.gz ICFPOLVQAHLBJV-SNVBAGLBSA-N 2 2 240.738 0.814 10 0 BCAELP C[N@H+]1CCN(c2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000087613851 367915447 /nfs/dbraw/zinc/91/54/47/367915447.db2.gz ICFPOLVQAHLBJV-SNVBAGLBSA-N 2 2 240.738 0.814 10 0 BCAELP Cc1ccnc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000087613853 367915483 /nfs/dbraw/zinc/91/54/83/367915483.db2.gz WEMHCKPKAWBSMR-NSHDSACASA-N 2 2 220.320 0.469 10 0 BCAELP Cc1ccnc(N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000087613853 367915485 /nfs/dbraw/zinc/91/54/85/367915485.db2.gz WEMHCKPKAWBSMR-NSHDSACASA-N 2 2 220.320 0.469 10 0 BCAELP C[N@@H+]1CCN(c2ccccn2)[C@H](C[NH3+])C1 ZINC000087613833 367916305 /nfs/dbraw/zinc/91/63/05/367916305.db2.gz MNXLSLBEMPOWCB-SNVBAGLBSA-N 2 2 206.293 0.161 10 0 BCAELP C[N@H+]1CCN(c2ccccn2)[C@H](C[NH3+])C1 ZINC000087613833 367916309 /nfs/dbraw/zinc/91/63/09/367916309.db2.gz MNXLSLBEMPOWCB-SNVBAGLBSA-N 2 2 206.293 0.161 10 0 BCAELP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@@H]1C[NH3+] ZINC000631838857 369121885 /nfs/dbraw/zinc/12/18/85/369121885.db2.gz WDZBWDQVFDXGQC-QWRGUYRKSA-N 2 2 245.330 0.756 10 0 BCAELP C[C@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1C[NH3+] ZINC000631838857 369121889 /nfs/dbraw/zinc/12/18/89/369121889.db2.gz WDZBWDQVFDXGQC-QWRGUYRKSA-N 2 2 245.330 0.756 10 0 BCAELP C[NH+]1CCN(c2cc[nH+]cc2C=O)CC1 ZINC000107375327 369344915 /nfs/dbraw/zinc/34/49/15/369344915.db2.gz PXWGXRXSSQCJSQ-UHFFFAOYSA-N 2 2 205.261 0.646 10 0 BCAELP OCC[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000310022295 370289219 /nfs/dbraw/zinc/28/92/19/370289219.db2.gz NYWLCACHUUDNRR-UHFFFAOYSA-N 2 2 224.304 0.826 10 0 BCAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000313261159 370574485 /nfs/dbraw/zinc/57/44/85/370574485.db2.gz IQZASTSOEXHEDJ-NSHDSACASA-N 2 2 225.336 0.959 10 0 BCAELP [NH3+]CC[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC000229554737 372164046 /nfs/dbraw/zinc/16/40/46/372164046.db2.gz ZHCWQKBXNAOHKY-UHFFFAOYSA-N 2 2 239.241 0.088 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1C ZINC000631837372 372627984 /nfs/dbraw/zinc/62/79/84/372627984.db2.gz AWKQDJPWOLVZCL-UWVGGRQHSA-N 2 2 237.351 0.404 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1C ZINC000631837372 372627987 /nfs/dbraw/zinc/62/79/87/372627987.db2.gz AWKQDJPWOLVZCL-UWVGGRQHSA-N 2 2 237.351 0.404 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838210 372631819 /nfs/dbraw/zinc/63/18/19/372631819.db2.gz KPCBRZUSIUCPSX-UWVGGRQHSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838210 372631825 /nfs/dbraw/zinc/63/18/25/372631825.db2.gz KPCBRZUSIUCPSX-UWVGGRQHSA-N 2 2 223.324 0.325 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838367 372632129 /nfs/dbraw/zinc/63/21/29/372632129.db2.gz NAXPUYPVEZSIBT-VHSXEESVSA-N 2 2 238.339 0.281 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838367 372632132 /nfs/dbraw/zinc/63/21/32/372632132.db2.gz NAXPUYPVEZSIBT-VHSXEESVSA-N 2 2 238.339 0.281 10 0 BCAELP C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631842001 372640036 /nfs/dbraw/zinc/64/00/36/372640036.db2.gz SUQCOOWFYNYEPY-WCBMZHEXSA-N 2 2 236.319 0.974 10 0 BCAELP C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631842001 372640041 /nfs/dbraw/zinc/64/00/41/372640041.db2.gz SUQCOOWFYNYEPY-WCBMZHEXSA-N 2 2 236.319 0.974 10 0 BCAELP O=C(C[C@H]1CCCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000042542811 182027290 /nfs/dbraw/zinc/02/72/90/182027290.db2.gz DKOSCELPUVVTSW-LLVKDONJSA-N 2 2 236.319 0.532 10 0 BCAELP OC1(c2c[nH+]c3ccccn32)CC[NH2+]CC1 ZINC000089200953 183023513 /nfs/dbraw/zinc/02/35/13/183023513.db2.gz YEAOTVXAVAKRKD-UHFFFAOYSA-N 2 2 217.272 0.905 10 0 BCAELP O[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]2[NH2+]CC[C@H]21 ZINC000083331793 183205623 /nfs/dbraw/zinc/20/56/23/183205623.db2.gz SGNZBLMJLIIMTI-HZSPNIEDSA-N 2 2 232.327 0.841 10 0 BCAELP O[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]2[NH2+]CC[C@H]21 ZINC000083331793 183205625 /nfs/dbraw/zinc/20/56/25/183205625.db2.gz SGNZBLMJLIIMTI-HZSPNIEDSA-N 2 2 232.327 0.841 10 0 BCAELP O[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000051770044 183231702 /nfs/dbraw/zinc/23/17/02/183231702.db2.gz HCMUPOLEXSMXJK-RYUDHWBXSA-N 2 2 212.337 0.975 10 0 BCAELP CCC[N@H+]([C@@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000104344946 169180318 /nfs/dbraw/zinc/18/03/18/169180318.db2.gz KOXYEKFMZMKLTC-RYUDHWBXSA-N 2 2 241.379 0.927 10 0 BCAELP CCC[N@@H+]([C@@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000104344946 169180319 /nfs/dbraw/zinc/18/03/19/169180319.db2.gz KOXYEKFMZMKLTC-RYUDHWBXSA-N 2 2 241.379 0.927 10 0 BCAELP C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000396458365 259600637 /nfs/dbraw/zinc/60/06/37/259600637.db2.gz HFNATPOJGSXDFA-NXEZZACHSA-N 2 2 226.299 0.552 10 0 BCAELP [NH3+][C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000050243955 383985121 /nfs/dbraw/zinc/98/51/21/383985121.db2.gz TXASBRMCGJWJJO-RYUDHWBXSA-N 2 2 206.289 0.753 10 0 BCAELP [NH3+][C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000050243955 383985127 /nfs/dbraw/zinc/98/51/27/383985127.db2.gz TXASBRMCGJWJJO-RYUDHWBXSA-N 2 2 206.289 0.753 10 0 BCAELP CN(C[C@@H]1CC[NH2+]C1)c1[nH+]cccc1O ZINC000095071232 384338168 /nfs/dbraw/zinc/33/81/68/384338168.db2.gz QDCGAOMJLGBEFY-SECBINFHSA-N 2 2 207.277 0.833 10 0 BCAELP COc1nccnc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000095071633 384341355 /nfs/dbraw/zinc/34/13/55/384341355.db2.gz MXUKPGFFXAXRFQ-SNVBAGLBSA-N 2 2 236.319 0.574 10 0 BCAELP COc1nccnc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000095071635 384341730 /nfs/dbraw/zinc/34/17/30/384341730.db2.gz UJDSRDDWLPEXCZ-SECBINFHSA-N 2 2 222.292 0.184 10 0 BCAELP O=C(C[NH2+]C[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072809 384346317 /nfs/dbraw/zinc/34/63/17/384346317.db2.gz FBIMTBUJKUHRRL-SNVBAGLBSA-N 2 2 219.288 0.463 10 0 BCAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cnccn1 ZINC000095077420 384352941 /nfs/dbraw/zinc/35/29/41/384352941.db2.gz USLRCNKDBAAJRH-WDEREUQCSA-N 2 2 206.293 0.836 10 0 BCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335593664 384360497 /nfs/dbraw/zinc/36/04/97/384360497.db2.gz JXVWRTWKASDCRA-DTWKUNHWSA-N 2 2 222.292 0.414 10 0 BCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335593666 384361064 /nfs/dbraw/zinc/36/10/64/384361064.db2.gz JXVWRTWKASDCRA-IUCAKERBSA-N 2 2 222.292 0.414 10 0 BCAELP Cc1nn(C)cc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000335644203 384415857 /nfs/dbraw/zinc/41/58/57/384415857.db2.gz PIHMBZHSTGQPRA-ZYHUDNBSSA-N 2 2 222.336 0.959 10 0 BCAELP C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000149476804 384477581 /nfs/dbraw/zinc/47/75/81/384477581.db2.gz FPVAKKODADSAIF-GXSJLCMTSA-N 2 2 238.335 0.753 10 0 BCAELP Cn1c[nH+]cc1[C@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000085169015 384508384 /nfs/dbraw/zinc/50/83/84/384508384.db2.gz DEXKKGSSFWGLCX-GMSGAONNSA-N 2 2 208.265 0.041 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+](CC(=O)c2ccc[nH]2)C1 ZINC000050250193 384612029 /nfs/dbraw/zinc/61/20/29/384612029.db2.gz LAOAVTQZZDKSGU-VIFPVBQESA-N 2 2 207.277 0.478 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)c2ccc[nH]2)C1 ZINC000050250193 384612034 /nfs/dbraw/zinc/61/20/34/384612034.db2.gz LAOAVTQZZDKSGU-VIFPVBQESA-N 2 2 207.277 0.478 10 0 BCAELP [NH3+][C@H](C(=O)N1CCn2cc[nH+]c2C1)C1CCC1 ZINC000335653869 384819175 /nfs/dbraw/zinc/81/91/75/384819175.db2.gz NTZNFOKANZFHAN-NSHDSACASA-N 2 2 234.303 0.353 10 0 BCAELP [NH3+][C@H]1CCC[C@@H]1C[NH+]1CCS(=O)CC1 ZINC000053873287 384811879 /nfs/dbraw/zinc/81/18/79/384811879.db2.gz ZEWRSJARBXRPHU-ZJUUUORDSA-N 2 2 216.350 0.178 10 0 BCAELP COC(=O)[C@@]1(C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000186372566 384839489 /nfs/dbraw/zinc/83/94/89/384839489.db2.gz JVGRDWDNWHGTMG-GFCCVEGCSA-N 2 2 237.303 0.911 10 0 BCAELP COC(=O)[C@@]1(C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000186372566 384839493 /nfs/dbraw/zinc/83/94/93/384839493.db2.gz JVGRDWDNWHGTMG-GFCCVEGCSA-N 2 2 237.303 0.911 10 0 BCAELP CO[C@H]1C[C@H](CO)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000310140545 384855935 /nfs/dbraw/zinc/85/59/35/384855935.db2.gz MXPXWRUJIKSCMH-NEPJUHHUSA-N 2 2 239.319 0.355 10 0 BCAELP CO[C@H]1C[C@H](CO)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000310140545 384855938 /nfs/dbraw/zinc/85/59/38/384855938.db2.gz MXPXWRUJIKSCMH-NEPJUHHUSA-N 2 2 239.319 0.355 10 0 BCAELP C[C@H]1[C@H]([NH3+])CCN1C(=O)CCn1cc[nH+]c1 ZINC000309286127 384893628 /nfs/dbraw/zinc/89/36/28/384893628.db2.gz ISXKWHYCYJYLQH-VHSXEESVSA-N 2 2 222.292 0.221 10 0 BCAELP CC(C)[C@H]([NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062321514 385170644 /nfs/dbraw/zinc/17/06/44/385170644.db2.gz XHHXHYNJBWWORH-SNVBAGLBSA-N 2 2 208.309 0.682 10 0 BCAELP C[C@@H]1C[C@@]([NH2+]C2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156468244 385452337 /nfs/dbraw/zinc/45/23/37/385452337.db2.gz SCLZUSFMPOAEMW-LDYMZIIASA-N 2 2 211.309 0.077 10 0 BCAELP C[C@@H]1C[C@@]([NH2+]C2CC2)(C(N)=O)CC[N@H+]1C ZINC000156468244 385452340 /nfs/dbraw/zinc/45/23/40/385452340.db2.gz SCLZUSFMPOAEMW-LDYMZIIASA-N 2 2 211.309 0.077 10 0 BCAELP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCn1cc[nH+]c1 ZINC000309286130 385509367 /nfs/dbraw/zinc/50/93/67/385509367.db2.gz ISXKWHYCYJYLQH-ZJUUUORDSA-N 2 2 222.292 0.221 10 0 BCAELP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCn1cc[nH+]c1 ZINC000309286121 385509545 /nfs/dbraw/zinc/50/95/45/385509545.db2.gz ISXKWHYCYJYLQH-NXEZZACHSA-N 2 2 222.292 0.221 10 0 BCAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(N)=O ZINC000309609801 385739278 /nfs/dbraw/zinc/73/92/78/385739278.db2.gz ZPOOUILTTQZKRR-BDAKNGLRSA-N 2 2 222.292 0.224 10 0 BCAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(N)=O ZINC000309609804 385740401 /nfs/dbraw/zinc/74/04/01/385740401.db2.gz ZPOOUILTTQZKRR-RKDXNWHRSA-N 2 2 222.292 0.224 10 0 BCAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(N)=O ZINC000309609803 385740683 /nfs/dbraw/zinc/74/06/83/385740683.db2.gz ZPOOUILTTQZKRR-IUCAKERBSA-N 2 2 222.292 0.224 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1csnn1)C2 ZINC000309634492 385759054 /nfs/dbraw/zinc/75/90/54/385759054.db2.gz RYIPPKJAENPLRK-ZETCQYMHSA-N 2 2 235.316 0.908 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1csnn1)CC2 ZINC000309634492 385759056 /nfs/dbraw/zinc/75/90/56/385759056.db2.gz RYIPPKJAENPLRK-ZETCQYMHSA-N 2 2 235.316 0.908 10 0 BCAELP Oc1cc(F)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263301585 385823007 /nfs/dbraw/zinc/82/30/07/385823007.db2.gz XCBMMILMLKKGHO-JOYOIKCWSA-N 2 2 240.278 0.201 10 0 BCAELP CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000129486435 386079082 /nfs/dbraw/zinc/07/90/82/386079082.db2.gz GKBPTONWSVJFME-GFCCVEGCSA-N 2 2 241.379 0.929 10 0 BCAELP CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000129486435 386079087 /nfs/dbraw/zinc/07/90/87/386079087.db2.gz GKBPTONWSVJFME-GFCCVEGCSA-N 2 2 241.379 0.929 10 0 BCAELP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254574 386506729 /nfs/dbraw/zinc/50/67/29/386506729.db2.gz CTVWTCINZUDBMM-KOLCDFICSA-N 2 2 236.319 0.599 10 0 BCAELP CCc1nnc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1C ZINC000519651866 386519282 /nfs/dbraw/zinc/51/92/82/386519282.db2.gz GWRNEADEMPYODS-ZJUUUORDSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1C ZINC000519651866 386519288 /nfs/dbraw/zinc/51/92/88/386519288.db2.gz GWRNEADEMPYODS-ZJUUUORDSA-N 2 2 237.351 0.547 10 0 BCAELP CC(C)n1cc[nH+]c1CN(C)C[C@H](O)C[NH3+] ZINC000519757107 386546707 /nfs/dbraw/zinc/54/67/07/386546707.db2.gz GYRYJXABIWUZLW-SNVBAGLBSA-N 2 2 226.324 0.215 10 0 BCAELP C[C@H](O)C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000247402890 386712849 /nfs/dbraw/zinc/71/28/49/386712849.db2.gz BMIJCIMYAREFKQ-MNOVXSKESA-N 2 2 238.335 0.297 10 0 BCAELP C[C@H](O)C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000247402890 386712855 /nfs/dbraw/zinc/71/28/55/386712855.db2.gz BMIJCIMYAREFKQ-MNOVXSKESA-N 2 2 238.335 0.297 10 0 BCAELP O[C@@H]1CC[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]2C1 ZINC000398781686 386990712 /nfs/dbraw/zinc/99/07/12/386990712.db2.gz KIOIZIPAXZKLAM-JHJVBQTASA-N 2 2 235.331 0.976 10 0 BCAELP O[C@@H]1CC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]2C1 ZINC000398781686 386990716 /nfs/dbraw/zinc/99/07/16/386990716.db2.gz KIOIZIPAXZKLAM-JHJVBQTASA-N 2 2 235.331 0.976 10 0 BCAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000643454665 387384358 /nfs/dbraw/zinc/38/43/58/387384358.db2.gz LRHUIKTZOINDRN-WOPDTQHZSA-N 3 2 213.369 0.914 10 0 BCAELP Cc1cc(N(C)CCOCC[NH3+])nc[nH+]1 ZINC000300940437 388395037 /nfs/dbraw/zinc/39/50/37/388395037.db2.gz DKYWIRHGQIDXOD-UHFFFAOYSA-N 2 2 210.281 0.197 10 0 BCAELP c1cn(CCNC2=[NH+]CCCS2)c[nH+]1 ZINC000042542207 388444668 /nfs/dbraw/zinc/44/46/68/388444668.db2.gz OVNIYYBISGGRGX-UHFFFAOYSA-N 2 2 210.306 0.966 10 0 BCAELP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000564644726 388879880 /nfs/dbraw/zinc/87/98/80/388879880.db2.gz RYMQWGJMHMKICQ-UTUOFQBUSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000564644726 388879883 /nfs/dbraw/zinc/87/98/83/388879883.db2.gz RYMQWGJMHMKICQ-UTUOFQBUSA-N 2 2 228.336 0.461 10 0 BCAELP Cc1c[nH+]c(N)nc1N1CC[NH+](C)CC1 ZINC000040829290 132348677 /nfs/dbraw/zinc/34/86/77/132348677.db2.gz AOQGVDIPBIEREW-UHFFFAOYSA-N 2 2 207.281 0.119 10 0 BCAELP Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)nc[nH+]1 ZINC000250963777 132303812 /nfs/dbraw/zinc/30/38/12/132303812.db2.gz LWVQNUGDERXSTB-VHSXEESVSA-N 2 2 206.293 0.972 10 0 BCAELP Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)nc[nH+]1 ZINC000250963773 132304010 /nfs/dbraw/zinc/30/40/10/132304010.db2.gz LWVQNUGDERXSTB-NXEZZACHSA-N 2 2 206.293 0.972 10 0 BCAELP C[C@@H](C[NH3+])C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000037039506 132343293 /nfs/dbraw/zinc/34/32/93/132343293.db2.gz QKFREADXOPDWHL-LBPRGKRZSA-N 3 2 234.347 0.798 10 0 BCAELP Cc1ccc[nH+]c1N1CCN(CC[NH3+])CC1 ZINC000051040735 132359860 /nfs/dbraw/zinc/35/98/60/132359860.db2.gz RMKNLJQPJJPJBX-UHFFFAOYSA-N 2 2 220.320 0.471 10 0 BCAELP Cc1cc(N2C[C@H](C)[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000053712464 132363707 /nfs/dbraw/zinc/36/37/07/132363707.db2.gz QMYYIGVVHMDTQB-UWVGGRQHSA-N 2 2 206.293 0.972 10 0 BCAELP Cc1nc(N2CCC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000054936833 132365104 /nfs/dbraw/zinc/36/51/04/132365104.db2.gz OGNVMOFHXZLPND-SNVBAGLBSA-N 2 2 206.293 0.960 10 0 BCAELP C[C@@H](C[NH3+])C[NH+]1CCN(c2ncccn2)CC1 ZINC000057402536 132365567 /nfs/dbraw/zinc/36/55/67/132365567.db2.gz QSPQOWWJTSBXEZ-NSHDSACASA-N 2 2 235.335 0.193 10 0 BCAELP C[NH+](C)CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171401516 134258533 /nfs/dbraw/zinc/25/85/33/134258533.db2.gz KRPPEVOCLVWLNX-LLVKDONJSA-N 2 2 225.336 0.245 10 0 BCAELP Cc1nccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)n1 ZINC000227934472 134399556 /nfs/dbraw/zinc/39/95/56/134399556.db2.gz LCALDAROTMPMHZ-LBPRGKRZSA-N 2 2 238.335 0.187 10 0 BCAELP Cc1cccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000257691949 135139521 /nfs/dbraw/zinc/13/95/21/135139521.db2.gz JHPMKZUAISYUBP-CYBMUJFWSA-N 2 2 246.358 0.874 10 0 BCAELP CC1CC[NH+](Cc2noc(C[NH3+])n2)CC1 ZINC000261530324 135157556 /nfs/dbraw/zinc/15/75/56/135157556.db2.gz CMEKSAGFHSKGGJ-UHFFFAOYSA-N 2 2 210.281 0.760 10 0 BCAELP COC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534064 135165545 /nfs/dbraw/zinc/16/55/45/135165545.db2.gz LRQDWZAIWGOJML-BDAKNGLRSA-N 2 2 214.309 0.607 10 0 BCAELP COC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534064 135165547 /nfs/dbraw/zinc/16/55/47/135165547.db2.gz LRQDWZAIWGOJML-BDAKNGLRSA-N 2 2 214.309 0.607 10 0 BCAELP CC[C@H]1CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261537673 135174969 /nfs/dbraw/zinc/17/49/69/135174969.db2.gz WBWPFRQUKMLLIK-QMMMGPOBSA-N 2 2 210.281 0.760 10 0 BCAELP CC[C@H]1CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261537673 135174970 /nfs/dbraw/zinc/17/49/70/135174970.db2.gz WBWPFRQUKMLLIK-QMMMGPOBSA-N 2 2 210.281 0.760 10 0 BCAELP COCC[N@@H+](Cc1noc(C[NH3+])n1)CC(C)C ZINC000261541654 135182314 /nfs/dbraw/zinc/18/23/14/135182314.db2.gz LLSVYQFSVISWEO-UHFFFAOYSA-N 2 2 242.323 0.633 10 0 BCAELP COCC[N@H+](Cc1noc(C[NH3+])n1)CC(C)C ZINC000261541654 135182316 /nfs/dbraw/zinc/18/23/16/135182316.db2.gz LLSVYQFSVISWEO-UHFFFAOYSA-N 2 2 242.323 0.633 10 0 BCAELP CN(C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000261556182 135196272 /nfs/dbraw/zinc/19/62/72/135196272.db2.gz QMWVJOPVSYFGAH-MNOVXSKESA-N 2 2 237.347 0.149 10 0 BCAELP CN(C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000261556182 135196273 /nfs/dbraw/zinc/19/62/73/135196273.db2.gz QMWVJOPVSYFGAH-MNOVXSKESA-N 2 2 237.347 0.149 10 0 BCAELP Cn1cncc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261561788 135202804 /nfs/dbraw/zinc/20/28/04/135202804.db2.gz AVFJHDQMKKAHRE-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP Cn1cncc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261561788 135202805 /nfs/dbraw/zinc/20/28/05/135202805.db2.gz AVFJHDQMKKAHRE-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP Cn1c[nH+]cc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261561788 135202806 /nfs/dbraw/zinc/20/28/06/135202806.db2.gz AVFJHDQMKKAHRE-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261562741 135204754 /nfs/dbraw/zinc/20/47/54/135204754.db2.gz WNYLNDDBTVBXNQ-CYBMUJFWSA-N 2 2 239.363 0.539 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261562741 135204755 /nfs/dbraw/zinc/20/47/55/135204755.db2.gz WNYLNDDBTVBXNQ-CYBMUJFWSA-N 2 2 239.363 0.539 10 0 BCAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000261574094 135216000 /nfs/dbraw/zinc/21/60/00/135216000.db2.gz JAYCSAHPLPAKKA-VHSXEESVSA-N 2 2 209.297 0.262 10 0 BCAELP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000261574094 135216002 /nfs/dbraw/zinc/21/60/02/135216002.db2.gz JAYCSAHPLPAKKA-VHSXEESVSA-N 2 2 209.297 0.262 10 0 BCAELP CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000261575047 135217002 /nfs/dbraw/zinc/21/70/02/135217002.db2.gz JOABZWHUJKQVJF-JTQLQIEISA-N 2 2 225.336 0.324 10 0 BCAELP CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000261575047 135217003 /nfs/dbraw/zinc/21/70/03/135217003.db2.gz JOABZWHUJKQVJF-JTQLQIEISA-N 2 2 225.336 0.324 10 0 BCAELP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261578215 135219116 /nfs/dbraw/zinc/21/91/16/135219116.db2.gz LPAYVWKEQOCDQS-NXEZZACHSA-N 2 2 228.336 0.997 10 0 BCAELP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261578215 135219117 /nfs/dbraw/zinc/21/91/17/135219117.db2.gz LPAYVWKEQOCDQS-NXEZZACHSA-N 2 2 228.336 0.997 10 0 BCAELP Cc1n[nH]c(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261583547 135224546 /nfs/dbraw/zinc/22/45/46/135224546.db2.gz PCWQDMPOHSKHAD-WRWORJQWSA-N 2 2 208.309 0.806 10 0 BCAELP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261583547 135224547 /nfs/dbraw/zinc/22/45/47/135224547.db2.gz PCWQDMPOHSKHAD-WRWORJQWSA-N 2 2 208.309 0.806 10 0 BCAELP C[C@@H]1CC[N@H+](Cc2noc(C[NH3+])n2)[C@@H]1C ZINC000261597508 135237127 /nfs/dbraw/zinc/23/71/27/135237127.db2.gz ZDVJOQYSSFMJND-HTQZYQBOSA-N 2 2 210.281 0.759 10 0 BCAELP C[C@@H]1CC[N@@H+](Cc2noc(C[NH3+])n2)[C@@H]1C ZINC000261597508 135237128 /nfs/dbraw/zinc/23/71/28/135237128.db2.gz ZDVJOQYSSFMJND-HTQZYQBOSA-N 2 2 210.281 0.759 10 0 BCAELP C[C@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1[NH3+] ZINC000261690806 135245927 /nfs/dbraw/zinc/24/59/27/135245927.db2.gz AXRUBIWZVJBMMK-ONGXEEELSA-N 2 2 245.330 0.747 10 0 BCAELP C[C@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1[NH3+] ZINC000261690806 135245928 /nfs/dbraw/zinc/24/59/28/135245928.db2.gz AXRUBIWZVJBMMK-ONGXEEELSA-N 2 2 245.330 0.747 10 0 BCAELP COC(=O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000261787823 135252430 /nfs/dbraw/zinc/25/24/30/135252430.db2.gz FZCRIQYIYOKVQG-ZJUUUORDSA-N 2 2 228.336 0.855 10 0 BCAELP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000261787823 135252431 /nfs/dbraw/zinc/25/24/31/135252431.db2.gz FZCRIQYIYOKVQG-ZJUUUORDSA-N 2 2 228.336 0.855 10 0 BCAELP COC(=O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000261787815 135252608 /nfs/dbraw/zinc/25/26/08/135252608.db2.gz FZCRIQYIYOKVQG-NXEZZACHSA-N 2 2 228.336 0.855 10 0 BCAELP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@H]1C ZINC000261787815 135252609 /nfs/dbraw/zinc/25/26/09/135252609.db2.gz FZCRIQYIYOKVQG-NXEZZACHSA-N 2 2 228.336 0.855 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261973059 135267748 /nfs/dbraw/zinc/26/77/48/135267748.db2.gz DVPXIPGVGMBWSJ-MWLCHTKSSA-N 2 2 237.351 0.776 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261973059 135267750 /nfs/dbraw/zinc/26/77/50/135267750.db2.gz DVPXIPGVGMBWSJ-MWLCHTKSSA-N 2 2 237.351 0.776 10 0 BCAELP CS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261976369 135268653 /nfs/dbraw/zinc/26/86/53/135268653.db2.gz QUEZMMUCUORPDB-WDEREUQCSA-N 2 2 246.376 0.105 10 0 BCAELP CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261976369 135268655 /nfs/dbraw/zinc/26/86/55/135268655.db2.gz QUEZMMUCUORPDB-WDEREUQCSA-N 2 2 246.376 0.105 10 0 BCAELP O=C(CC[NH2+][C@@H]1CC[NH2+]C1)NC1CCCCC1 ZINC000262016179 135272728 /nfs/dbraw/zinc/27/27/28/135272728.db2.gz FUZDENYNNKHGGK-GFCCVEGCSA-N 2 2 239.363 0.777 10 0 BCAELP CC1(C)CNC(=O)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262024988 135273953 /nfs/dbraw/zinc/27/39/53/135273953.db2.gz WNCXKUUENCDQFD-SNVBAGLBSA-N 2 2 225.336 0.196 10 0 BCAELP CC1(C)CNC(=O)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262024988 135273955 /nfs/dbraw/zinc/27/39/55/135273955.db2.gz WNCXKUUENCDQFD-SNVBAGLBSA-N 2 2 225.336 0.196 10 0 BCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1F ZINC000262165101 135283115 /nfs/dbraw/zinc/28/31/15/135283115.db2.gz UFYOBXYODPNSKO-PWSUYJOCSA-N 2 2 224.279 0.496 10 0 BCAELP COc1cc[nH+]cc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262417660 135295958 /nfs/dbraw/zinc/29/59/58/135295958.db2.gz RINAJXHQEUZUEZ-QMMMGPOBSA-N 2 2 235.287 0.884 10 0 BCAELP COc1cc[nH+]cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262417657 135296135 /nfs/dbraw/zinc/29/61/35/135296135.db2.gz RINAJXHQEUZUEZ-MRVPVSSYSA-N 2 2 235.287 0.884 10 0 BCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000263229049 135340900 /nfs/dbraw/zinc/34/09/00/135340900.db2.gz NEBSPVJOBZDUEM-SKDRFNHKSA-N 2 2 242.269 0.635 10 0 BCAELP C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401671009 533674441 /nfs/dbraw/zinc/67/44/41/533674441.db2.gz VGNBTENSHZPZAI-RAIGVLPGSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000401671009 533674450 /nfs/dbraw/zinc/67/44/50/533674450.db2.gz VGNBTENSHZPZAI-RAIGVLPGSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000401671009 533674460 /nfs/dbraw/zinc/67/44/60/533674460.db2.gz VGNBTENSHZPZAI-RAIGVLPGSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401671009 533674465 /nfs/dbraw/zinc/67/44/65/533674465.db2.gz VGNBTENSHZPZAI-RAIGVLPGSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1[NH3+] ZINC000662277964 409594473 /nfs/dbraw/zinc/59/44/73/409594473.db2.gz UDPDQXKWMFDWFT-HRDYMLBCSA-N 2 2 220.263 0.690 10 0 BCAELP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1[NH3+] ZINC000662277964 409594482 /nfs/dbraw/zinc/59/44/82/409594482.db2.gz UDPDQXKWMFDWFT-HRDYMLBCSA-N 2 2 220.263 0.690 10 0 BCAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000127176141 167107507 /nfs/dbraw/zinc/10/75/07/167107507.db2.gz SQIMQDQIWXQEMT-QWRGUYRKSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)[NH2+]CC[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000127176141 167107510 /nfs/dbraw/zinc/10/75/10/167107510.db2.gz SQIMQDQIWXQEMT-QWRGUYRKSA-N 2 2 200.326 0.687 10 0 BCAELP O[C@H]1C[NH2+]C[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000420255888 411138964 /nfs/dbraw/zinc/13/89/64/411138964.db2.gz TZRFBYDYCFXAKF-YPMHNXCESA-N 2 2 243.310 1.227 10 0 BCAELP COc1ccc[nH+]c1N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000128505429 411102264 /nfs/dbraw/zinc/10/22/64/411102264.db2.gz ZMWSGAUXKUNJRY-ONGXEEELSA-N 2 2 237.303 0.643 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000129091808 411221797 /nfs/dbraw/zinc/22/17/97/411221797.db2.gz XDMVHJDZIKZLQK-VIFPVBQESA-N 2 2 224.308 0.742 10 0 BCAELP Nc1cc([C@@H]2CC[N@H+](CCO)CCO2)cc[nH+]1 ZINC000616665453 411280481 /nfs/dbraw/zinc/28/04/81/411280481.db2.gz JNZQCTDDTWTFHX-NSHDSACASA-N 2 2 237.303 0.420 10 0 BCAELP Nc1cc([C@@H]2CC[N@@H+](CCO)CCO2)cc[nH+]1 ZINC000616665453 411280484 /nfs/dbraw/zinc/28/04/84/411280484.db2.gz JNZQCTDDTWTFHX-NSHDSACASA-N 2 2 237.303 0.420 10 0 BCAELP Nc1cc([C@H]2CCC[N@H+](CC[NH3+])C2)[nH]n1 ZINC000616620812 411287187 /nfs/dbraw/zinc/28/71/87/411287187.db2.gz LVPPZGBGFQLHRO-QMMMGPOBSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1cc([C@H]2CCC[N@@H+](CC[NH3+])C2)[nH]n1 ZINC000616620812 411287189 /nfs/dbraw/zinc/28/71/89/411287189.db2.gz LVPPZGBGFQLHRO-QMMMGPOBSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1cc([C@@H]2COCCCN2CC[NH3+])cc[nH+]1 ZINC000616646489 411287496 /nfs/dbraw/zinc/28/74/96/411287496.db2.gz XHXFUMOLSONBBS-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP Nc1cc([C@@H]2CCC[N@@H+]2CC[NH3+])ccn1 ZINC000616608487 411287507 /nfs/dbraw/zinc/28/75/07/411287507.db2.gz WSMWWRHYYGITBT-JTQLQIEISA-N 2 2 206.293 0.759 10 0 BCAELP Nc1cc([C@@H]2CCC[N@H+]2CC[NH3+])ccn1 ZINC000616608487 411287509 /nfs/dbraw/zinc/28/75/09/411287509.db2.gz WSMWWRHYYGITBT-JTQLQIEISA-N 2 2 206.293 0.759 10 0 BCAELP C[C@@H]([NH3+])CNc1ncnc2c1C[N@H+](C)CC2 ZINC000212470354 411291155 /nfs/dbraw/zinc/29/11/55/411291155.db2.gz BYBQAWYMZLATHX-MRVPVSSYSA-N 2 2 221.308 0.224 10 0 BCAELP C[C@@H]([NH3+])CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000212470354 411291160 /nfs/dbraw/zinc/29/11/60/411291160.db2.gz BYBQAWYMZLATHX-MRVPVSSYSA-N 2 2 221.308 0.224 10 0 BCAELP CC(C)([NH3+])CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000071137288 411326335 /nfs/dbraw/zinc/32/63/35/411326335.db2.gz MWLCPGXBEMGYTJ-LLVKDONJSA-N 2 2 227.352 0.130 10 0 BCAELP CC(C)([NH3+])C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000071137288 411326336 /nfs/dbraw/zinc/32/63/36/411326336.db2.gz MWLCPGXBEMGYTJ-LLVKDONJSA-N 2 2 227.352 0.130 10 0 BCAELP CC(C)([NH3+])C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000071137288 411326338 /nfs/dbraw/zinc/32/63/38/411326338.db2.gz MWLCPGXBEMGYTJ-LLVKDONJSA-N 2 2 227.352 0.130 10 0 BCAELP Nc1cccc([C@H]2CCOCCN2CC[NH3+])[nH+]1 ZINC000616658593 411412806 /nfs/dbraw/zinc/41/28/06/411412806.db2.gz WBAAKJUBADANPH-LLVKDONJSA-N 2 2 236.319 0.386 10 0 BCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21 ZINC000653584481 411425989 /nfs/dbraw/zinc/42/59/89/411425989.db2.gz YSCIIGOMTJKOEW-RWMBFGLXSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21 ZINC000653584481 411425990 /nfs/dbraw/zinc/42/59/90/411425990.db2.gz YSCIIGOMTJKOEW-RWMBFGLXSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000653584481 411425994 /nfs/dbraw/zinc/42/59/94/411425994.db2.gz YSCIIGOMTJKOEW-RWMBFGLXSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000653584481 411425998 /nfs/dbraw/zinc/42/59/98/411425998.db2.gz YSCIIGOMTJKOEW-RWMBFGLXSA-N 2 2 242.363 0.410 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCNC2=O)n1C ZINC000657338518 411472901 /nfs/dbraw/zinc/47/29/01/411472901.db2.gz ZIROXQAYRFGBCK-SNVBAGLBSA-N 2 2 222.292 0.097 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000328209626 170013978 /nfs/dbraw/zinc/01/39/78/170013978.db2.gz UZBREHLBGKEYNO-NWDGAFQWSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000328209626 170013980 /nfs/dbraw/zinc/01/39/80/170013980.db2.gz UZBREHLBGKEYNO-NWDGAFQWSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000336677226 170038456 /nfs/dbraw/zinc/03/84/56/170038456.db2.gz BLSMNUYOICGZGK-GARJFASQSA-N 2 2 227.352 0.441 10 0 BCAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(=O)NC)C1 ZINC000336677226 170038458 /nfs/dbraw/zinc/03/84/58/170038458.db2.gz BLSMNUYOICGZGK-GARJFASQSA-N 2 2 227.352 0.441 10 0 BCAELP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037249010 170087849 /nfs/dbraw/zinc/08/78/49/170087849.db2.gz BBRXRRRSWPKRSJ-SECBINFHSA-N 2 2 213.325 0.195 10 0 BCAELP CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037469318 170092673 /nfs/dbraw/zinc/09/26/73/170092673.db2.gz VTLIQEKKIXXBAD-VIFPVBQESA-N 2 2 213.325 0.195 10 0 BCAELP CC[NH2+]C(C)(C)C(=O)N1CC[NH+](CC)CC1 ZINC000061287893 170105952 /nfs/dbraw/zinc/10/59/52/170105952.db2.gz PEMALYNJSUBKRT-UHFFFAOYSA-N 2 2 227.352 0.539 10 0 BCAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC000054602058 170109726 /nfs/dbraw/zinc/10/97/26/170109726.db2.gz XBPUSWXZDPCWBS-YEJSDXFRSA-N 2 2 239.363 0.855 10 0 BCAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC000054602058 170109727 /nfs/dbraw/zinc/10/97/27/170109727.db2.gz XBPUSWXZDPCWBS-YEJSDXFRSA-N 2 2 239.363 0.855 10 0 BCAELP CC[NH2+]C[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000062325173 170119372 /nfs/dbraw/zinc/11/93/72/170119372.db2.gz HHEBRQMKMUYQLQ-SNVBAGLBSA-N 2 2 208.309 0.697 10 0 BCAELP CC[NH2+][C@H](C)CC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254516 170156778 /nfs/dbraw/zinc/15/67/78/170156778.db2.gz COWCGGKJCMOKNQ-SNVBAGLBSA-N 2 2 236.319 0.613 10 0 BCAELP CCOC(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602135 170222604 /nfs/dbraw/zinc/22/26/04/170222604.db2.gz XTHGTMOCDLTODF-FGWVZKOKSA-N 2 2 226.320 0.894 10 0 BCAELP CCOC(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602135 170222605 /nfs/dbraw/zinc/22/26/05/170222605.db2.gz XTHGTMOCDLTODF-FGWVZKOKSA-N 2 2 226.320 0.894 10 0 BCAELP CCOC(=O)[C@@H](CCN(C)CC[NH+](C)C)[NH2+]C ZINC000104194687 170250839 /nfs/dbraw/zinc/25/08/39/170250839.db2.gz AUOVVZBNEUJLNZ-LLVKDONJSA-N 2 2 245.367 0.021 10 0 BCAELP CCOC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042530 170258274 /nfs/dbraw/zinc/25/82/74/170258274.db2.gz RCLVEBLEOJDOHD-NSHDSACASA-N 2 2 226.320 0.766 10 0 BCAELP CCOC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042530 170258276 /nfs/dbraw/zinc/25/82/76/170258276.db2.gz RCLVEBLEOJDOHD-NSHDSACASA-N 2 2 226.320 0.766 10 0 BCAELP CCOC(=O)[C@@]([NH3+])(CC)Cc1c[nH+]c[nH]1 ZINC000169318636 170262640 /nfs/dbraw/zinc/26/26/40/170262640.db2.gz MJPSAKZJDVHCFS-SNVBAGLBSA-N 2 2 211.265 0.623 10 0 BCAELP CCOC(=O)[C@H]([NH3+])CCn1cc[nH+]c1C ZINC000062535169 170274836 /nfs/dbraw/zinc/27/48/36/170274836.db2.gz YFPGNXZWEXGNFY-SECBINFHSA-N 2 2 211.265 0.472 10 0 BCAELP CCOC1CC[NH+]([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000040689368 170332102 /nfs/dbraw/zinc/33/21/02/170332102.db2.gz YMJFGNIQMFSRJF-NWDGAFQWSA-N 2 2 228.336 0.604 10 0 BCAELP CCOC1CC[NH+]([C@H]2COCC[C@H]2[NH3+])CC1 ZINC000040689371 170332712 /nfs/dbraw/zinc/33/27/12/170332712.db2.gz YMJFGNIQMFSRJF-NEPJUHHUSA-N 2 2 228.336 0.604 10 0 BCAELP CCOC1CC[NH+]([C@@H]2COCC[C@H]2[NH3+])CC1 ZINC000040689370 170332735 /nfs/dbraw/zinc/33/27/35/170332735.db2.gz YMJFGNIQMFSRJF-VXGBXAGGSA-N 2 2 228.336 0.604 10 0 BCAELP CC[C@@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC000038116236 170750023 /nfs/dbraw/zinc/75/00/23/170750023.db2.gz KGGVGNNXUQOSSK-SNVBAGLBSA-N 2 2 200.326 0.831 10 0 BCAELP CC[C@@H]([NH3+])C[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000095930135 170865434 /nfs/dbraw/zinc/86/54/34/170865434.db2.gz BRSLWKWNVWIWSD-SFYZADRCSA-N 2 2 202.298 0.783 10 0 BCAELP c1cn2c([nH+]1)CN(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662260124 412054223 /nfs/dbraw/zinc/05/42/23/412054223.db2.gz HYPQIHHKEQQTFA-LLVKDONJSA-N 2 2 248.330 0.220 10 0 BCAELP CC[C@@H]1CC[N@H+](CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662680 171011956 /nfs/dbraw/zinc/01/19/56/171011956.db2.gz TYIDSLUVCFKUGB-LLVKDONJSA-N 2 2 248.392 0.495 10 0 BCAELP CC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662680 171011958 /nfs/dbraw/zinc/01/19/58/171011958.db2.gz TYIDSLUVCFKUGB-LLVKDONJSA-N 2 2 248.392 0.495 10 0 BCAELP CC[C@H](C)[C@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000237018865 171394476 /nfs/dbraw/zinc/39/44/76/171394476.db2.gz DFJHDFNRQWXLKA-BQBZGAKWSA-N 2 2 215.322 0.579 10 0 BCAELP CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1c[nH+]c[nH]1 ZINC000083353543 171395538 /nfs/dbraw/zinc/39/55/38/171395538.db2.gz LHQQFUYGQMAZAR-WPRPVWTQSA-N 2 2 224.308 0.442 10 0 BCAELP CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1c[nH]c[nH+]1 ZINC000083353543 171395540 /nfs/dbraw/zinc/39/55/40/171395540.db2.gz LHQQFUYGQMAZAR-WPRPVWTQSA-N 2 2 224.308 0.442 10 0 BCAELP [NH3+]CC[NH+]1CCC(Nc2cc[nH]n2)CC1 ZINC000616619437 412299181 /nfs/dbraw/zinc/29/91/81/412299181.db2.gz JNUXMLHVUVASPC-UHFFFAOYSA-N 2 2 209.297 0.245 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000226019671 173057239 /nfs/dbraw/zinc/05/72/39/173057239.db2.gz UIQCQBLUOFPBPS-MCIGGMRASA-N 3 2 211.353 0.940 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000226019671 173057240 /nfs/dbraw/zinc/05/72/40/173057240.db2.gz UIQCQBLUOFPBPS-MCIGGMRASA-N 3 2 211.353 0.940 10 0 BCAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000250790181 173144081 /nfs/dbraw/zinc/14/40/81/173144081.db2.gz IKDZFJZFLFTRCL-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000250790181 173144084 /nfs/dbraw/zinc/14/40/84/173144084.db2.gz IKDZFJZFLFTRCL-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000250790181 173144087 /nfs/dbraw/zinc/14/40/87/173144087.db2.gz IKDZFJZFLFTRCL-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000250790181 173144089 /nfs/dbraw/zinc/14/40/89/173144089.db2.gz IKDZFJZFLFTRCL-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP CNC(=O)C[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731455 173267055 /nfs/dbraw/zinc/26/70/55/173267055.db2.gz FSFPNFKFEMOLHA-GFCCVEGCSA-N 2 2 235.331 0.407 10 0 BCAELP CNC(=O)C[N@@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000035731455 173267057 /nfs/dbraw/zinc/26/70/57/173267057.db2.gz FSFPNFKFEMOLHA-GFCCVEGCSA-N 2 2 235.331 0.407 10 0 BCAELP CNC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424541 173306061 /nfs/dbraw/zinc/30/60/61/173306061.db2.gz ZMDATXPPSOZFLE-QJPTWQEYSA-N 2 2 239.363 0.857 10 0 BCAELP CNC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424541 173306062 /nfs/dbraw/zinc/30/60/62/173306062.db2.gz ZMDATXPPSOZFLE-QJPTWQEYSA-N 2 2 239.363 0.857 10 0 BCAELP C[NH2+]C(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000061317635 173317476 /nfs/dbraw/zinc/31/74/76/173317476.db2.gz XGSKEVHSLZJWNJ-UHFFFAOYSA-N 2 2 224.308 0.377 10 0 BCAELP C[NH2+]C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000049329237 173323128 /nfs/dbraw/zinc/32/31/28/173323128.db2.gz IGGSLVQGUWXOJP-UHFFFAOYSA-N 3 2 222.336 0.875 10 0 BCAELP C[NH2+]CC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000193132598 173327574 /nfs/dbraw/zinc/32/75/74/173327574.db2.gz NNSICPFDNCZHIQ-QWRGUYRKSA-N 2 2 236.319 0.512 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@@H+](C2CCS(=O)(=O)CC2)C1 ZINC000053031296 173370085 /nfs/dbraw/zinc/37/00/85/173370085.db2.gz BMSHIYBDXMJCNB-JTQLQIEISA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@H+](C2CCS(=O)(=O)CC2)C1 ZINC000053031296 173370086 /nfs/dbraw/zinc/37/00/86/173370086.db2.gz BMSHIYBDXMJCNB-JTQLQIEISA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]Cc1coc(C[NH+]2CCOCC2)c1 ZINC000052377850 173393583 /nfs/dbraw/zinc/39/35/83/173393583.db2.gz GECRQPOPRDYIMB-UHFFFAOYSA-N 2 2 210.277 0.831 10 0 BCAELP COC1CC[NH+](CC[NH2+]C[C@H]2CCOC2)CC1 ZINC000053380391 174028603 /nfs/dbraw/zinc/02/86/03/174028603.db2.gz GHWABZCWDZWZQZ-GFCCVEGCSA-N 2 2 242.363 0.723 10 0 BCAELP COCCC[N@H+](CCOC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042421844 174225868 /nfs/dbraw/zinc/22/58/68/174225868.db2.gz ROSIEVHRJVXZPR-NWDGAFQWSA-N 2 2 246.351 0.088 10 0 BCAELP COCCC[N@@H+](CCOC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042421844 174225871 /nfs/dbraw/zinc/22/58/71/174225871.db2.gz ROSIEVHRJVXZPR-NWDGAFQWSA-N 2 2 246.351 0.088 10 0 BCAELP COCC[NH+](CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042442996 174295803 /nfs/dbraw/zinc/29/58/03/174295803.db2.gz QNVBRJOLRARDEX-GFCCVEGCSA-N 2 2 230.352 0.723 10 0 BCAELP COCC[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000111228011 174310436 /nfs/dbraw/zinc/31/04/36/174310436.db2.gz TXNLDAVMWDPPFC-NSHDSACASA-N 2 2 238.335 0.562 10 0 BCAELP COCC[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000111228011 174310437 /nfs/dbraw/zinc/31/04/37/174310437.db2.gz TXNLDAVMWDPPFC-NSHDSACASA-N 2 2 238.335 0.562 10 0 BCAELP COc1cc(F)c([C@H]([NH3+])C[NH3+])cc1OC ZINC000044469695 174992671 /nfs/dbraw/zinc/99/26/71/174992671.db2.gz PNJJWVWDULGMBB-MRVPVSSYSA-N 2 2 214.240 0.801 10 0 BCAELP CSCC[C@H]([NH3+])C[NH+]1CCC(CO)CC1 ZINC000039794797 175508056 /nfs/dbraw/zinc/50/80/56/175508056.db2.gz UUJMXFAKIZQOOJ-NSHDSACASA-N 2 2 232.393 0.771 10 0 BCAELP C[C@@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)[NH2+]1 ZINC000042542794 176135724 /nfs/dbraw/zinc/13/57/24/176135724.db2.gz FIMZEAPGUBTAHH-GHMZBOCLSA-N 2 2 236.319 0.530 10 0 BCAELP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000335348353 176283779 /nfs/dbraw/zinc/28/37/79/176283779.db2.gz HBYHCGXKIYQOEO-DGCLKSJQSA-N 3 2 225.380 0.997 10 0 BCAELP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000335348353 176283780 /nfs/dbraw/zinc/28/37/80/176283780.db2.gz HBYHCGXKIYQOEO-DGCLKSJQSA-N 3 2 225.380 0.997 10 0 BCAELP C[C@@H]1C[N@H+](Cc2cccnc2C[NH3+])CCN1C ZINC000104142802 176308126 /nfs/dbraw/zinc/30/81/26/176308126.db2.gz RQWYNDWVVCKXJB-LLVKDONJSA-N 2 2 234.347 0.676 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2cccnc2C[NH3+])CCN1C ZINC000104142802 176308129 /nfs/dbraw/zinc/30/81/29/176308129.db2.gz RQWYNDWVVCKXJB-LLVKDONJSA-N 2 2 234.347 0.676 10 0 BCAELP C[C@@H]1C[NH+]=C(NCCn2cc[nH+]c2)S1 ZINC000042542218 176323865 /nfs/dbraw/zinc/32/38/65/176323865.db2.gz BBVLYLHFNNPBKT-MRVPVSSYSA-N 2 2 210.306 0.964 10 0 BCAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000104225569 176330213 /nfs/dbraw/zinc/33/02/13/176330213.db2.gz ZDPMHXPTKVQWKM-NXEZZACHSA-N 2 2 248.330 0.942 10 0 BCAELP C[C@@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CCOCC1 ZINC000052177049 176337707 /nfs/dbraw/zinc/33/77/07/176337707.db2.gz FMEYLOBCSVRTPD-PWSUYJOCSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CCOCC1 ZINC000052177049 176337708 /nfs/dbraw/zinc/33/77/08/176337708.db2.gz FMEYLOBCSVRTPD-PWSUYJOCSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1CCC[NH2+][C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000051791991 177112436 /nfs/dbraw/zinc/11/24/36/177112436.db2.gz LFMQBDCAOWQFGP-WDEREUQCSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@H]1CCN(CC[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679907 177161067 /nfs/dbraw/zinc/16/10/67/177161067.db2.gz VPBLQVOFGMYBTD-STQMWFEESA-N 2 2 241.379 0.378 10 0 BCAELP C[C@H]1CC[N@H+](CCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679907 177161068 /nfs/dbraw/zinc/16/10/68/177161068.db2.gz VPBLQVOFGMYBTD-STQMWFEESA-N 2 2 241.379 0.378 10 0 BCAELP C[C@H]1CC[N@@H+](CCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000111679907 177161069 /nfs/dbraw/zinc/16/10/69/177161069.db2.gz VPBLQVOFGMYBTD-STQMWFEESA-N 2 2 241.379 0.378 10 0 BCAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000052176507 177273447 /nfs/dbraw/zinc/27/34/47/177273447.db2.gz MYQSIIUFIQVQJN-LOWVWBTDSA-N 2 2 242.363 0.850 10 0 BCAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000052176507 177273448 /nfs/dbraw/zinc/27/34/48/177273448.db2.gz MYQSIIUFIQVQJN-LOWVWBTDSA-N 2 2 242.363 0.850 10 0 BCAELP C[C@H]1COCC[N@@H+]1Cc1cccnc1C[NH3+] ZINC000061656561 177291940 /nfs/dbraw/zinc/29/19/40/177291940.db2.gz AIJHIZNUHZPDPK-JTQLQIEISA-N 2 2 221.304 0.761 10 0 BCAELP C[C@H]1COCC[N@H+]1Cc1cccnc1C[NH3+] ZINC000061656561 177291942 /nfs/dbraw/zinc/29/19/42/177291942.db2.gz AIJHIZNUHZPDPK-JTQLQIEISA-N 2 2 221.304 0.761 10 0 BCAELP C[C@H]1COCC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052475971 177292887 /nfs/dbraw/zinc/29/28/87/177292887.db2.gz OPROWQOIGMPJFO-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1COCC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052475971 177292889 /nfs/dbraw/zinc/29/28/89/177292889.db2.gz OPROWQOIGMPJFO-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[N@@H+]1C ZINC000089920308 177333941 /nfs/dbraw/zinc/33/39/41/177333941.db2.gz SWHWXBREZMEPNY-QCNOEVLYSA-N 2 2 212.337 0.972 10 0 BCAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[N@H+]1C ZINC000089920308 177333943 /nfs/dbraw/zinc/33/39/43/177333943.db2.gz SWHWXBREZMEPNY-QCNOEVLYSA-N 2 2 212.337 0.972 10 0 BCAELP O=C(C[C@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000054291453 487709080 /nfs/dbraw/zinc/70/90/80/487709080.db2.gz OBYSMHSLFZRDIJ-LLVKDONJSA-N 2 2 236.319 0.389 10 0 BCAELP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000250423333 487732182 /nfs/dbraw/zinc/73/21/82/487732182.db2.gz ZXQUYAWYGYMCHF-WRWGMCAJSA-N 2 2 237.347 0.134 10 0 BCAELP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000250423333 487732186 /nfs/dbraw/zinc/73/21/86/487732186.db2.gz ZXQUYAWYGYMCHF-WRWGMCAJSA-N 2 2 237.347 0.134 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234128750 487763365 /nfs/dbraw/zinc/76/33/65/487763365.db2.gz AGHAYALISJTOIS-ONGXEEELSA-N 2 2 222.336 0.762 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234128750 487763370 /nfs/dbraw/zinc/76/33/70/487763370.db2.gz AGHAYALISJTOIS-ONGXEEELSA-N 2 2 222.336 0.762 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+]1CCCOCC(F)(F)F ZINC000757149199 643335192 /nfs/dbraw/zinc/33/51/92/643335192.db2.gz YVLUMTGMQLALHG-QMMMGPOBSA-N 2 2 226.242 0.988 10 0 BCAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCCNC1=O ZINC000090208991 487924425 /nfs/dbraw/zinc/92/44/25/487924425.db2.gz WHJGRFMKKMKMDE-LLVKDONJSA-N 2 2 236.319 0.832 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000570162298 323051521 /nfs/dbraw/zinc/05/15/21/323051521.db2.gz JPQDLTDQCLJXNF-NWDGAFQWSA-N 2 2 228.336 0.605 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000570162298 323051522 /nfs/dbraw/zinc/05/15/22/323051522.db2.gz JPQDLTDQCLJXNF-NWDGAFQWSA-N 2 2 228.336 0.605 10 0 BCAELP O=C(C[C@@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000070646666 325020046 /nfs/dbraw/zinc/02/00/46/325020046.db2.gz GNGLLSNVSHKIBT-VIFPVBQESA-N 2 2 222.292 0.416 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000568765620 326376552 /nfs/dbraw/zinc/37/65/52/326376552.db2.gz OVKYZGRACXGRSR-VHSXEESVSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000568765620 326376553 /nfs/dbraw/zinc/37/65/53/326376553.db2.gz OVKYZGRACXGRSR-VHSXEESVSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136317503 488094940 /nfs/dbraw/zinc/09/49/40/488094940.db2.gz ZCZWJKNBMIDLMR-QWRGUYRKSA-N 2 2 238.335 0.761 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013740 488122030 /nfs/dbraw/zinc/12/20/30/488122030.db2.gz BRNUSZXLFZVXCN-IUCAKERBSA-N 2 2 222.292 0.496 10 0 BCAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085868 487512613 /nfs/dbraw/zinc/51/26/13/487512613.db2.gz KVYHZGXDHGFTEJ-WCBMZHEXSA-N 2 2 246.314 0.869 10 0 BCAELP Cn1nccc1CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000230764214 488155931 /nfs/dbraw/zinc/15/59/31/488155931.db2.gz GSNUJEUAIULWQV-NSHDSACASA-N 2 2 208.309 0.386 10 0 BCAELP Cn1nccc1CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000230764214 488155933 /nfs/dbraw/zinc/15/59/33/488155933.db2.gz GSNUJEUAIULWQV-NSHDSACASA-N 2 2 208.309 0.386 10 0 BCAELP COC(=O)[C@@H]([NH3+])Cn1cc[nH+]c1C(C)C ZINC000045430427 582878266 /nfs/dbraw/zinc/87/82/66/582878266.db2.gz PGVCOQRAQKHFND-QMMMGPOBSA-N 2 2 211.265 0.507 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562867 534967369 /nfs/dbraw/zinc/96/73/69/534967369.db2.gz WPTVSPQYWYKHHF-NWDGAFQWSA-N 2 2 239.363 0.537 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261562867 534967372 /nfs/dbraw/zinc/96/73/72/534967372.db2.gz WPTVSPQYWYKHHF-NWDGAFQWSA-N 2 2 239.363 0.537 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261759226 535975076 /nfs/dbraw/zinc/97/50/76/535975076.db2.gz QVZVSZYIFLMDDU-GFCCVEGCSA-N 2 2 237.351 0.777 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261759226 535975082 /nfs/dbraw/zinc/97/50/82/535975082.db2.gz QVZVSZYIFLMDDU-GFCCVEGCSA-N 2 2 237.351 0.777 10 0 BCAELP CCc1cnc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263267850 536050211 /nfs/dbraw/zinc/05/02/11/536050211.db2.gz RTWVUWVXGHVVHL-WPRPVWTQSA-N 2 2 241.360 0.375 10 0 BCAELP COC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000262367740 536674137 /nfs/dbraw/zinc/67/41/37/536674137.db2.gz LHHJOKHGWHQGOO-SECBINFHSA-N 2 2 238.291 0.060 10 0 BCAELP CC1(C)C[C@H]([N@@H+]2CC[C@H]2C(N)=O)CC[NH2+]1 ZINC000757163238 582545073 /nfs/dbraw/zinc/54/50/73/582545073.db2.gz ZAZZPTUXLAJCNF-BDAKNGLRSA-N 2 2 211.309 0.077 10 0 BCAELP CC1(C)C[C@H]([N@H+]2CC[C@H]2C(N)=O)CC[NH2+]1 ZINC000757163238 582545074 /nfs/dbraw/zinc/54/50/74/582545074.db2.gz ZAZZPTUXLAJCNF-BDAKNGLRSA-N 2 2 211.309 0.077 10 0 BCAELP CC(C)[N@H+]1C[C@H]([NH2+]CCC(N)=O)[C@@H](C)C1 ZINC000393604468 582817196 /nfs/dbraw/zinc/81/71/96/582817196.db2.gz ITTLMYXPNWCEBE-UWVGGRQHSA-N 2 2 213.325 0.180 10 0 BCAELP CC(C)[N@@H+]1C[C@H]([NH2+]CCC(N)=O)[C@@H](C)C1 ZINC000393604468 582817197 /nfs/dbraw/zinc/81/71/97/582817197.db2.gz ITTLMYXPNWCEBE-UWVGGRQHSA-N 2 2 213.325 0.180 10 0 BCAELP COC(=O)[C@H](Cn1cc[nH+]c1)[NH2+]C(C)C ZINC000045432066 582877971 /nfs/dbraw/zinc/87/79/71/582877971.db2.gz GKPOXTVDXDZCIO-VIFPVBQESA-N 2 2 211.265 0.423 10 0 BCAELP CCC[NH2+][C@H](Cn1cc[nH+]c1)C(=O)OC ZINC000045432051 582878167 /nfs/dbraw/zinc/87/81/67/582878167.db2.gz RVBBVAMYUDCJBX-SECBINFHSA-N 2 2 211.265 0.424 10 0 BCAELP COC(=O)[C@@](C)([NH3+])CCCn1cc[nH+]c1 ZINC000045431731 582878360 /nfs/dbraw/zinc/87/83/60/582878360.db2.gz JWYSOVSXKPSRQF-JTQLQIEISA-N 2 2 211.265 0.554 10 0 BCAELP CCC[NH2+][C@@H](Cn1cc[nH+]c1)C(=O)OC ZINC000045432048 582878457 /nfs/dbraw/zinc/87/84/57/582878457.db2.gz RVBBVAMYUDCJBX-VIFPVBQESA-N 2 2 211.265 0.424 10 0 BCAELP COC(=O)[C@H]1C[NH2+]C[C@@]12C[NH+]1CCC2CC1 ZINC000757185269 586434032 /nfs/dbraw/zinc/43/40/32/586434032.db2.gz QRWABILUNKEDML-PWSUYJOCSA-N 2 2 224.304 0.091 10 0 BCAELP CCn1cc([C@@H]2C[C@@H](C)[C@@H]([NH3+])C[NH2+]2)cn1 ZINC000757227384 586442861 /nfs/dbraw/zinc/44/28/61/586442861.db2.gz BNJIIDKBKYZBBR-MIMYLULJSA-N 2 2 208.309 0.901 10 0 BCAELP CCn1cc([C@@H]2[NH2+]CC[C@H](C)[C@@H]2[NH3+])cn1 ZINC000757235593 586443278 /nfs/dbraw/zinc/44/32/78/586443278.db2.gz LUUCPBPGILXBEW-LSJOCFKGSA-N 2 2 208.309 0.901 10 0 BCAELP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc21 ZINC000132082640 591686414 /nfs/dbraw/zinc/68/64/14/591686414.db2.gz QOUKPKPKKGJBLQ-JHJVBQTASA-N 2 2 245.326 0.999 10 0 BCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000133487610 591803415 /nfs/dbraw/zinc/80/34/15/591803415.db2.gz IDYGZLLCOBWVJW-XQHKEYJVSA-N 2 2 242.363 0.911 10 0 BCAELP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc[nH]1)C2 ZINC000309543423 632480046 /nfs/dbraw/zinc/48/00/46/632480046.db2.gz GWVWQCXXFDECOH-VIFPVBQESA-N 2 2 217.276 0.711 10 0 BCAELP C[C@H]([NH3+])CCNc1cc(N(C)C)nc[nH+]1 ZINC000258744580 635194594 /nfs/dbraw/zinc/19/45/94/635194594.db2.gz WLQNVTCMTADLEE-QMMMGPOBSA-N 2 2 209.297 0.692 10 0 BCAELP C[C@H]([NH3+])CCNc1cc(N(C)C)[nH+]cn1 ZINC000258744580 635194596 /nfs/dbraw/zinc/19/45/96/635194596.db2.gz WLQNVTCMTADLEE-QMMMGPOBSA-N 2 2 209.297 0.692 10 0 BCAELP C[N@@H+](Cc1cnc(N)cn1)C[C@H]1CC[NH+](C)C1 ZINC000231299754 641156558 /nfs/dbraw/zinc/15/65/58/641156558.db2.gz YRFJFTPTBVYDJR-JTQLQIEISA-N 2 2 235.335 0.442 10 0 BCAELP C[N@H+](Cc1cnc(N)cn1)C[C@H]1CC[NH+](C)C1 ZINC000231299754 641156567 /nfs/dbraw/zinc/15/65/67/641156567.db2.gz YRFJFTPTBVYDJR-JTQLQIEISA-N 2 2 235.335 0.442 10 0 BCAELP C[NH+](Cc1cnc(N)cn1)C[C@H]1CC[N@H+](C)C1 ZINC000231299754 641156571 /nfs/dbraw/zinc/15/65/71/641156571.db2.gz YRFJFTPTBVYDJR-JTQLQIEISA-N 2 2 235.335 0.442 10 0 BCAELP C[NH+](Cc1cnc(N)cn1)C[C@H]1CC[N@@H+](C)C1 ZINC000231299754 641156581 /nfs/dbraw/zinc/15/65/81/641156581.db2.gz YRFJFTPTBVYDJR-JTQLQIEISA-N 2 2 235.335 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180164114 /nfs/dbraw/zinc/16/41/14/180164114.db2.gz XDMJYDYAKPEKIU-UHFFFAOYSA-N 2 2 247.302 0.455 10 0 BCAELP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562331 535115025 /nfs/dbraw/zinc/11/50/25/535115025.db2.gz WFCZDPQBAMDUQK-WDEREUQCSA-N 2 2 241.379 0.960 10 0 BCAELP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562331 535115029 /nfs/dbraw/zinc/11/50/29/535115029.db2.gz WFCZDPQBAMDUQK-WDEREUQCSA-N 2 2 241.379 0.960 10 0 BCAELP Cc1nccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000044994807 180186668 /nfs/dbraw/zinc/18/66/68/180186668.db2.gz OJZCKJRPULGOIT-SKDRFNHKSA-N 2 2 220.320 0.954 10 0 BCAELP Cc1nccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000044994807 180186670 /nfs/dbraw/zinc/18/66/70/180186670.db2.gz OJZCKJRPULGOIT-SKDRFNHKSA-N 2 2 220.320 0.954 10 0 BCAELP C[N@H+]([C@@H]1CCOC1)[C@@]1(C[NH3+])CCSC1 ZINC000226488992 350435412 /nfs/dbraw/zinc/43/54/12/350435412.db2.gz LIVPOPRVZADZAF-NXEZZACHSA-N 2 2 216.350 0.542 10 0 BCAELP C[N@@H+]([C@@H]1CCOC1)[C@@]1(C[NH3+])CCSC1 ZINC000226488992 350435414 /nfs/dbraw/zinc/43/54/14/350435414.db2.gz LIVPOPRVZADZAF-NXEZZACHSA-N 2 2 216.350 0.542 10 0 BCAELP CN1CC[NH+]([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264511 538092229 /nfs/dbraw/zinc/09/22/29/538092229.db2.gz SCUYWFLEQLBKLW-RYUDHWBXSA-N 2 2 239.363 0.130 10 0 BCAELP Cn1c[nH+]cc1-c1cnnn1[C@H]1CCC[NH2+]C1 ZINC000725266157 538093987 /nfs/dbraw/zinc/09/39/87/538093987.db2.gz QTAQLPCONFGDII-VIFPVBQESA-N 2 2 232.291 0.603 10 0 BCAELP Cc1nn(CC[NH+]2CCOCC2)c(C)c1C[NH3+] ZINC000020397155 180388872 /nfs/dbraw/zinc/38/88/72/180388872.db2.gz NTJMOHGRCAPIIK-UHFFFAOYSA-N 2 2 238.335 0.291 10 0 BCAELP Nc1ccccc1[C@@H]1CCOCC[N@@H+]1CC[NH3+] ZINC000616598702 350688464 /nfs/dbraw/zinc/68/84/64/350688464.db2.gz UHAITSRJSPCVPO-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@@H]1CCOCC[N@H+]1CC[NH3+] ZINC000616598702 350688466 /nfs/dbraw/zinc/68/84/66/350688466.db2.gz UHAITSRJSPCVPO-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP CC(C)(C)OC(=O)N1CC[NH2+][C@@H](CC[NH3+])C1 ZINC000616631287 351105410 /nfs/dbraw/zinc/10/54/10/351105410.db2.gz WGTDAGKBJOKWDT-VIFPVBQESA-N 2 2 229.324 0.544 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2nnc[nH]2)CC1 ZINC000616627021 351107113 /nfs/dbraw/zinc/10/71/13/351107113.db2.gz AXTAOBGBATTZMY-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2nnc[nH]2)CC1 ZINC000616627021 351107115 /nfs/dbraw/zinc/10/71/15/351107115.db2.gz AXTAOBGBATTZMY-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079518168 351070371 /nfs/dbraw/zinc/07/03/71/351070371.db2.gz FJTPTFVBPWDOFU-LBPRGKRZSA-N 2 2 236.319 0.521 10 0 BCAELP Nc1[nH+]cccc1[C@@H]1CCCN(CC[NH3+])C1 ZINC000616621777 351083961 /nfs/dbraw/zinc/08/39/61/351083961.db2.gz YKIGAFWGRWVNCJ-SNVBAGLBSA-N 2 2 220.320 0.802 10 0 BCAELP CCOC(=O)[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616629202 351100303 /nfs/dbraw/zinc/10/03/03/351100303.db2.gz TXSNZLFSQPRSHO-SNVBAGLBSA-N 2 2 214.309 0.610 10 0 BCAELP CCOC(=O)[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616629202 351100307 /nfs/dbraw/zinc/10/03/07/351100307.db2.gz TXSNZLFSQPRSHO-SNVBAGLBSA-N 2 2 214.309 0.610 10 0 BCAELP Nc1cccc([C@@H]2COCC[N@H+](CC[NH3+])C2)c1 ZINC000616659916 351209005 /nfs/dbraw/zinc/20/90/05/351209005.db2.gz GMXRZWZFAWIWIA-LBPRGKRZSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1cccc([C@@H]2COCC[N@@H+](CC[NH3+])C2)c1 ZINC000616659916 351209007 /nfs/dbraw/zinc/20/90/07/351209007.db2.gz GMXRZWZFAWIWIA-LBPRGKRZSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1cccc([C@H]2COCC[N@H+](CC[NH3+])C2)c1 ZINC000616663027 351214805 /nfs/dbraw/zinc/21/48/05/351214805.db2.gz GMXRZWZFAWIWIA-GFCCVEGCSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1cccc([C@H]2COCC[N@@H+](CC[NH3+])C2)c1 ZINC000616663027 351214807 /nfs/dbraw/zinc/21/48/07/351214807.db2.gz GMXRZWZFAWIWIA-GFCCVEGCSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1[nH+]cccc1[C@@H]1COCCN(CC[NH3+])C1 ZINC000616663376 351215327 /nfs/dbraw/zinc/21/53/27/351215327.db2.gz LCYYKLVVTCFJLF-JTQLQIEISA-N 2 2 236.319 0.038 10 0 BCAELP Nc1[nH+]cccc1[C@@H]1CC[N@H+](CCO)CCO1 ZINC000616665193 351221864 /nfs/dbraw/zinc/22/18/64/351221864.db2.gz AFBGCLXCUDIBDW-NSHDSACASA-N 2 2 237.303 0.420 10 0 BCAELP Nc1[nH+]cccc1[C@@H]1CC[N@@H+](CCO)CCO1 ZINC000616665193 351221866 /nfs/dbraw/zinc/22/18/66/351221866.db2.gz AFBGCLXCUDIBDW-NSHDSACASA-N 2 2 237.303 0.420 10 0 BCAELP CC[NH2+][C@@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000638095927 351976225 /nfs/dbraw/zinc/97/62/25/351976225.db2.gz CVPGNVFAJLCTLM-VIFPVBQESA-N 2 2 222.292 0.223 10 0 BCAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)CCO ZINC000020225425 188005189 /nfs/dbraw/zinc/00/51/89/188005189.db2.gz AGFUZIVXNQKNHS-GFCCVEGCSA-N 2 2 208.305 0.919 10 0 BCAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CCO ZINC000020225425 188005191 /nfs/dbraw/zinc/00/51/91/188005191.db2.gz AGFUZIVXNQKNHS-GFCCVEGCSA-N 2 2 208.305 0.919 10 0 BCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363964188 188356736 /nfs/dbraw/zinc/35/67/36/188356736.db2.gz OGWWIKDQYBVXRM-ZDUSSCGKSA-N 2 2 241.379 0.343 10 0 BCAELP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000165941811 354347722 /nfs/dbraw/zinc/34/77/22/354347722.db2.gz AEEYXPFAENLWLP-VHSXEESVSA-N 2 2 243.376 0.249 10 0 BCAELP NC(=[NH2+])CC[NH+]1CCN(c2nccs2)CC1 ZINC000019437711 181186809 /nfs/dbraw/zinc/18/68/09/181186809.db2.gz UFKLKBWPLQXNFW-UHFFFAOYSA-N 2 2 239.348 0.591 10 0 BCAELP NC(=O)C1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC000043493867 181216788 /nfs/dbraw/zinc/21/67/88/181216788.db2.gz PHRLFCVAVVFIAK-LLVKDONJSA-N 2 2 225.336 0.326 10 0 BCAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]([NH3+])C1 ZINC000336112081 134086898 /nfs/dbraw/zinc/08/68/98/134086898.db2.gz GPOOIZGGZWVGAS-SNVBAGLBSA-N 2 2 208.309 0.997 10 0 BCAELP NC(=O)[C@@H](C1CCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000050272545 181263724 /nfs/dbraw/zinc/26/37/24/181263724.db2.gz AEEDAIMLOFGPJI-LLVKDONJSA-N 2 2 225.336 0.326 10 0 BCAELP NC(=O)[C@@H](C1CCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000050272545 181263725 /nfs/dbraw/zinc/26/37/25/181263725.db2.gz AEEDAIMLOFGPJI-LLVKDONJSA-N 2 2 225.336 0.326 10 0 BCAELP CC(C)(C[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000168042447 356491023 /nfs/dbraw/zinc/49/10/23/356491023.db2.gz DHTIAYFDMAODAJ-UHFFFAOYSA-N 2 2 214.309 0.563 10 0 BCAELP CC(C)(C[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000168042447 356491025 /nfs/dbraw/zinc/49/10/25/356491025.db2.gz DHTIAYFDMAODAJ-UHFFFAOYSA-N 2 2 214.309 0.563 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000389429942 356670213 /nfs/dbraw/zinc/67/02/13/356670213.db2.gz XVHSXFUQZBSLCS-OLZOCXBDSA-N 2 2 244.379 0.704 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000389429942 356670217 /nfs/dbraw/zinc/67/02/17/356670217.db2.gz XVHSXFUQZBSLCS-OLZOCXBDSA-N 2 2 244.379 0.704 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000389429947 356670307 /nfs/dbraw/zinc/67/03/07/356670307.db2.gz XVHSXFUQZBSLCS-STQMWFEESA-N 2 2 244.379 0.704 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000389429947 356670312 /nfs/dbraw/zinc/67/03/12/356670312.db2.gz XVHSXFUQZBSLCS-STQMWFEESA-N 2 2 244.379 0.704 10 0 BCAELP Cc1csc(CC2=C[C@@H]([NH3+])C[NH2+]C2)n1 ZINC000675076386 538511599 /nfs/dbraw/zinc/51/15/99/538511599.db2.gz CGMCIELSRWYHST-SECBINFHSA-N 2 2 209.318 0.851 10 0 BCAELP Cc1cc(-c2cnn3c2C[NH2+]CC3)cc(N)[nH+]1 ZINC000675076245 538510740 /nfs/dbraw/zinc/51/07/40/538510740.db2.gz MBABWWKRJYSOFJ-UHFFFAOYSA-N 2 2 229.287 0.939 10 0 BCAELP Cn1cc[nH+]c1CCC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077916 538513703 /nfs/dbraw/zinc/51/37/03/538513703.db2.gz JXTWLJCFWORRGU-JTQLQIEISA-N 3 2 206.293 0.210 10 0 BCAELP Nc1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)cc[nH+]1 ZINC000675077615 538513746 /nfs/dbraw/zinc/51/37/46/538513746.db2.gz OXVQHDFLCCLYFL-SNVBAGLBSA-N 3 2 204.277 0.063 10 0 BCAELP Nc1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)ccn1 ZINC000675077615 538513748 /nfs/dbraw/zinc/51/37/48/538513748.db2.gz OXVQHDFLCCLYFL-SNVBAGLBSA-N 2 2 204.277 0.063 10 0 BCAELP Cc1nnc(CC2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675078115 538514999 /nfs/dbraw/zinc/51/49/99/538514999.db2.gz MQBSTJSDTHKAJX-QMMMGPOBSA-N 2 2 210.306 0.246 10 0 BCAELP Cc1nn(C)cc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675079293 538517194 /nfs/dbraw/zinc/51/71/94/538517194.db2.gz XLYZXGAYBDCOFJ-LLVKDONJSA-N 2 2 206.293 0.128 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000393239600 357279887 /nfs/dbraw/zinc/27/98/87/357279887.db2.gz NEQQQFXGFJDVEB-MNOVXSKESA-N 2 2 200.326 0.953 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000393239600 357279890 /nfs/dbraw/zinc/27/98/90/357279890.db2.gz NEQQQFXGFJDVEB-MNOVXSKESA-N 2 2 200.326 0.953 10 0 BCAELP COC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169078915 134249522 /nfs/dbraw/zinc/24/95/22/134249522.db2.gz NGUNXEGETNKQLS-ZJUUUORDSA-N 2 2 212.293 0.376 10 0 BCAELP COC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000169078915 134249523 /nfs/dbraw/zinc/24/95/23/134249523.db2.gz NGUNXEGETNKQLS-ZJUUUORDSA-N 2 2 212.293 0.376 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226046484 358333215 /nfs/dbraw/zinc/33/32/15/358333215.db2.gz SRZMWBVUJQWRGV-OLZOCXBDSA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226046484 358333218 /nfs/dbraw/zinc/33/32/18/358333218.db2.gz SRZMWBVUJQWRGV-OLZOCXBDSA-N 2 2 244.379 0.848 10 0 BCAELP C[N@@H+]1CCN(c2ncnc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000226622908 358342919 /nfs/dbraw/zinc/34/29/19/358342919.db2.gz RSYIHOLPADIETP-JTQLQIEISA-N 2 2 247.346 0.044 10 0 BCAELP C[N@H+]1CCN(c2ncnc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000226622908 358342920 /nfs/dbraw/zinc/34/29/20/358342920.db2.gz RSYIHOLPADIETP-JTQLQIEISA-N 2 2 247.346 0.044 10 0 BCAELP C[C@H](CO)[N@H+](CC[NH3+])Cc1ccccc1 ZINC000306589309 360494323 /nfs/dbraw/zinc/49/43/23/360494323.db2.gz OHRPPGHXNXQNEL-LLVKDONJSA-N 2 2 208.305 0.828 10 0 BCAELP C[C@H](CO)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000306589309 360494327 /nfs/dbraw/zinc/49/43/27/360494327.db2.gz OHRPPGHXNXQNEL-LLVKDONJSA-N 2 2 208.305 0.828 10 0 BCAELP [NH3+]CC(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037045735 181353823 /nfs/dbraw/zinc/35/38/23/181353823.db2.gz NNMXROBRNRSDPE-BDAKNGLRSA-N 2 2 208.265 0.052 10 0 BCAELP CCOCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630356054 364077290 /nfs/dbraw/zinc/07/72/90/364077290.db2.gz NFYHJFRSBNUYSA-WDEREUQCSA-N 2 2 216.325 0.461 10 0 BCAELP CCOCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630356054 364077294 /nfs/dbraw/zinc/07/72/94/364077294.db2.gz NFYHJFRSBNUYSA-WDEREUQCSA-N 2 2 216.325 0.461 10 0 BCAELP COCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630358609 364079615 /nfs/dbraw/zinc/07/96/15/364079615.db2.gz AYBQQCNJDPWPOI-NXEZZACHSA-N 2 2 202.298 0.071 10 0 BCAELP COCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630358609 364079620 /nfs/dbraw/zinc/07/96/20/364079620.db2.gz AYBQQCNJDPWPOI-NXEZZACHSA-N 2 2 202.298 0.071 10 0 BCAELP Cc1cc(N2C[C@@H](C[NH3+])[C@H](C)C2)nc[nH+]1 ZINC000630575019 364273221 /nfs/dbraw/zinc/27/32/21/364273221.db2.gz WSIDHDODASSITC-PSASIEDQSA-N 2 2 206.293 0.816 10 0 BCAELP [NH3+]CC1CC[NH+](CC(=O)c2nccs2)CC1 ZINC000095072689 181365374 /nfs/dbraw/zinc/36/53/74/181365374.db2.gz YHYKIAXDRRBDFQ-UHFFFAOYSA-N 2 2 239.344 0.997 10 0 BCAELP [NH3+]CCC(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037045771 181369092 /nfs/dbraw/zinc/36/90/92/181369092.db2.gz CQFBBYHOWJVWFK-ZJUUUORDSA-N 2 2 222.292 0.442 10 0 BCAELP [NH3+]CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000037039481 181391995 /nfs/dbraw/zinc/39/19/95/181391995.db2.gz BCKYCLYLVMTWGG-UHFFFAOYSA-N 2 2 220.320 0.552 10 0 BCAELP [NH3+]CC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000037039481 181391997 /nfs/dbraw/zinc/39/19/97/181391997.db2.gz BCKYCLYLVMTWGG-UHFFFAOYSA-N 2 2 220.320 0.552 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492968 367980239 /nfs/dbraw/zinc/98/02/39/367980239.db2.gz URLAFSQEUDZZST-AVGNSLFASA-N 2 2 241.379 0.437 10 0 BCAELP C[C@@H](CO)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578654 369095150 /nfs/dbraw/zinc/09/51/50/369095150.db2.gz PAMZZMWPSWLFCZ-ONGXEEELSA-N 2 2 210.321 0.584 10 0 BCAELP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000631838858 369121922 /nfs/dbraw/zinc/12/19/22/369121922.db2.gz WDZBWDQVFDXGQC-WDEREUQCSA-N 2 2 245.330 0.756 10 0 BCAELP C[C@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000631838858 369121926 /nfs/dbraw/zinc/12/19/26/369121926.db2.gz WDZBWDQVFDXGQC-WDEREUQCSA-N 2 2 245.330 0.756 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000307948921 370069260 /nfs/dbraw/zinc/06/92/60/370069260.db2.gz PMWMSTVVDGRBKJ-IUCAKERBSA-N 2 2 240.269 0.984 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000307948921 370069261 /nfs/dbraw/zinc/06/92/61/370069261.db2.gz PMWMSTVVDGRBKJ-IUCAKERBSA-N 2 2 240.269 0.984 10 0 BCAELP [NH3+][C@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000042188333 181643502 /nfs/dbraw/zinc/64/35/02/181643502.db2.gz BDAQYMXTRHAICD-NWDGAFQWSA-N 2 2 228.336 0.953 10 0 BCAELP [NH3+][C@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000042188333 181643504 /nfs/dbraw/zinc/64/35/04/181643504.db2.gz BDAQYMXTRHAICD-NWDGAFQWSA-N 2 2 228.336 0.953 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C[N@@H+]1C1CC1 ZINC000624237272 371424782 /nfs/dbraw/zinc/42/47/82/371424782.db2.gz TVUURINJQVKRPU-URBCHYCLSA-N 2 2 240.347 0.351 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C[N@H+]1C1CC1 ZINC000624237272 371424785 /nfs/dbraw/zinc/42/47/85/371424785.db2.gz TVUURINJQVKRPU-URBCHYCLSA-N 2 2 240.347 0.351 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838368 372631025 /nfs/dbraw/zinc/63/10/25/372631025.db2.gz NAXPUYPVEZSIBT-ZJUUUORDSA-N 2 2 238.339 0.281 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838368 372631033 /nfs/dbraw/zinc/63/10/33/372631033.db2.gz NAXPUYPVEZSIBT-ZJUUUORDSA-N 2 2 238.339 0.281 10 0 BCAELP Cc1noc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838029 372631047 /nfs/dbraw/zinc/63/10/47/372631047.db2.gz ILOVKZPSHLIZGA-APPZFPTMSA-N 2 2 210.281 0.405 10 0 BCAELP Cc1noc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838029 372631051 /nfs/dbraw/zinc/63/10/51/372631051.db2.gz ILOVKZPSHLIZGA-APPZFPTMSA-N 2 2 210.281 0.405 10 0 BCAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CCOCO2)C1 ZINC000041029563 374081198 /nfs/dbraw/zinc/08/11/98/374081198.db2.gz UUEWDOWRNVYBTL-UWVGGRQHSA-N 2 2 200.282 0.173 10 0 BCAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCOCO2)C1 ZINC000041029563 374081205 /nfs/dbraw/zinc/08/12/05/374081205.db2.gz UUEWDOWRNVYBTL-UWVGGRQHSA-N 2 2 200.282 0.173 10 0 BCAELP O[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575148 183196357 /nfs/dbraw/zinc/19/63/57/183196357.db2.gz MGCFAKGCZNOBQE-VXGBXAGGSA-N 2 2 212.337 0.975 10 0 BCAELP O[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541373 183232651 /nfs/dbraw/zinc/23/26/51/183232651.db2.gz LKAAGLVUEUOHIM-MNOVXSKESA-N 2 2 209.293 0.776 10 0 BCAELP O[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000051770041 183233097 /nfs/dbraw/zinc/23/30/97/183233097.db2.gz HCMUPOLEXSMXJK-NEPJUHHUSA-N 2 2 212.337 0.975 10 0 BCAELP CCC[C@@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000236934060 169388358 /nfs/dbraw/zinc/38/83/58/169388358.db2.gz GPMYTUIHHDHKLX-ZCFIWIBFSA-N 2 2 201.295 0.333 10 0 BCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000085013770 384262549 /nfs/dbraw/zinc/26/25/49/384262549.db2.gz WKWLVLBZZRFSPS-HTQZYQBOSA-N 2 2 208.265 0.153 10 0 BCAELP Cc1c(C[N@H+](C)C2CC([NH3+])C2)cnn1C ZINC000335479716 384297943 /nfs/dbraw/zinc/29/79/43/384297943.db2.gz WTOVGRMXDLKXCX-UHFFFAOYSA-N 2 2 208.309 0.650 10 0 BCAELP Cc1c(C[N@@H+](C)C2CC([NH3+])C2)cnn1C ZINC000335479716 384297947 /nfs/dbraw/zinc/29/79/47/384297947.db2.gz WTOVGRMXDLKXCX-UHFFFAOYSA-N 2 2 208.309 0.650 10 0 BCAELP CN(C[C@H]1CC[NH2+]C1)c1[nH+]cccc1O ZINC000095071233 384339563 /nfs/dbraw/zinc/33/95/63/384339563.db2.gz QDCGAOMJLGBEFY-VIFPVBQESA-N 2 2 207.277 0.833 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)c2ccc[nH]2)C1 ZINC000095072542 384343635 /nfs/dbraw/zinc/34/36/35/384343635.db2.gz VMQMBSULQCPXDO-JTQLQIEISA-N 2 2 221.304 0.868 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)c2ccc[nH]2)C1 ZINC000095072542 384343640 /nfs/dbraw/zinc/34/36/40/384343640.db2.gz VMQMBSULQCPXDO-JTQLQIEISA-N 2 2 221.304 0.868 10 0 BCAELP O=C(C[NH2+]C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000095072814 384345636 /nfs/dbraw/zinc/34/56/36/384345636.db2.gz UPZXEYOSRJCUFB-QMMMGPOBSA-N 2 2 225.317 0.525 10 0 BCAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnccn1 ZINC000095077422 384353327 /nfs/dbraw/zinc/35/33/27/384353327.db2.gz USLRCNKDBAAJRH-GHMZBOCLSA-N 2 2 206.293 0.836 10 0 BCAELP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068393 384330044 /nfs/dbraw/zinc/33/00/44/384330044.db2.gz MVYNNZSHJREIMY-NXEZZACHSA-N 2 2 206.293 0.737 10 0 BCAELP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cnccn1 ZINC000095068331 384330288 /nfs/dbraw/zinc/33/02/88/384330288.db2.gz ZORKNYKXFXZSJU-SECBINFHSA-N 2 2 206.293 0.879 10 0 BCAELP [NH3+][C@@H]1CCC[C@@H]1C[NH+]1CCS(=O)CC1 ZINC000053873282 384811580 /nfs/dbraw/zinc/81/15/80/384811580.db2.gz ZEWRSJARBXRPHU-NXEZZACHSA-N 2 2 216.350 0.178 10 0 BCAELP [NH3+]CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000258947854 384950921 /nfs/dbraw/zinc/95/09/21/384950921.db2.gz LKGPHXDOYRAPLM-UHFFFAOYSA-N 2 2 207.281 0.812 10 0 BCAELP [NH3+]CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000258947854 384950929 /nfs/dbraw/zinc/95/09/29/384950929.db2.gz LKGPHXDOYRAPLM-UHFFFAOYSA-N 2 2 207.281 0.812 10 0 BCAELP Cc1nc(N2CC[C@H]3OCC[NH2+][C@H]3C2)cc[nH+]1 ZINC000404081460 384895997 /nfs/dbraw/zinc/89/59/97/384895997.db2.gz SMWAOQFOEMREFA-WDEREUQCSA-N 2 2 234.303 0.352 10 0 BCAELP Cc1nc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000404081453 384896561 /nfs/dbraw/zinc/89/65/61/384896561.db2.gz SMWAOQFOEMREFA-MNOVXSKESA-N 2 2 234.303 0.352 10 0 BCAELP CC[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000058041480 384977986 /nfs/dbraw/zinc/97/79/86/384977986.db2.gz UYSQIPDQTNSPFU-VHSXEESVSA-N 2 2 243.351 0.885 10 0 BCAELP CC[N@@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000058041480 384977992 /nfs/dbraw/zinc/97/79/92/384977992.db2.gz UYSQIPDQTNSPFU-VHSXEESVSA-N 2 2 243.351 0.885 10 0 BCAELP C[NH2+][C@]1(CO)CC[N@H+](Cc2ccccc2)C1 ZINC000038121180 384994782 /nfs/dbraw/zinc/99/47/82/384994782.db2.gz LQVPPVIXXKEWPB-CYBMUJFWSA-N 2 2 220.316 0.843 10 0 BCAELP C[NH2+][C@]1(CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000038121180 384994786 /nfs/dbraw/zinc/99/47/86/384994786.db2.gz LQVPPVIXXKEWPB-CYBMUJFWSA-N 2 2 220.316 0.843 10 0 BCAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCO)C1 ZINC000195288876 385466299 /nfs/dbraw/zinc/46/62/99/385466299.db2.gz UYERGMURHLHNIZ-CQSZACIVSA-N 2 2 249.358 0.828 10 0 BCAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCO)C1 ZINC000195288876 385466301 /nfs/dbraw/zinc/46/63/01/385466301.db2.gz UYERGMURHLHNIZ-CQSZACIVSA-N 2 2 249.358 0.828 10 0 BCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCO)C1 ZINC000195288876 385466303 /nfs/dbraw/zinc/46/63/03/385466303.db2.gz UYERGMURHLHNIZ-CQSZACIVSA-N 2 2 249.358 0.828 10 0 BCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000195288876 385466306 /nfs/dbraw/zinc/46/63/06/385466306.db2.gz UYERGMURHLHNIZ-CQSZACIVSA-N 2 2 249.358 0.828 10 0 BCAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000250364603 385599951 /nfs/dbraw/zinc/59/99/51/385599951.db2.gz FIFIRSOZDVKCTL-JHJVBQTASA-N 2 2 241.379 0.125 10 0 BCAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000250364603 385599955 /nfs/dbraw/zinc/59/99/55/385599955.db2.gz FIFIRSOZDVKCTL-JHJVBQTASA-N 2 2 241.379 0.125 10 0 BCAELP COC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309583886 385715054 /nfs/dbraw/zinc/71/50/54/385715054.db2.gz RDSUMDDWIOETNN-IUCAKERBSA-N 2 2 223.276 0.349 10 0 BCAELP COC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000309583881 385715752 /nfs/dbraw/zinc/71/57/52/385715752.db2.gz RDSUMDDWIOETNN-BDAKNGLRSA-N 2 2 223.276 0.349 10 0 BCAELP COC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000309583883 385716267 /nfs/dbraw/zinc/71/62/67/385716267.db2.gz RDSUMDDWIOETNN-DTWKUNHWSA-N 2 2 223.276 0.349 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1csnn1)C2 ZINC000309634489 385759490 /nfs/dbraw/zinc/75/94/90/385759490.db2.gz RYIPPKJAENPLRK-SSDOTTSWSA-N 2 2 235.316 0.908 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1csnn1)CC2 ZINC000309634489 385759495 /nfs/dbraw/zinc/75/94/95/385759495.db2.gz RYIPPKJAENPLRK-SSDOTTSWSA-N 2 2 235.316 0.908 10 0 BCAELP CC[N@@H+]1CC[C@H](N[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414353200 386139769 /nfs/dbraw/zinc/13/97/69/386139769.db2.gz YBWIGIUMXFFCPE-WOPDTQHZSA-N 2 2 211.353 0.620 10 0 BCAELP CC[N@H+]1CC[C@H](N[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414353200 386139777 /nfs/dbraw/zinc/13/97/77/386139777.db2.gz YBWIGIUMXFFCPE-WOPDTQHZSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000414353200 386139780 /nfs/dbraw/zinc/13/97/80/386139780.db2.gz YBWIGIUMXFFCPE-WOPDTQHZSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000414353200 386139783 /nfs/dbraw/zinc/13/97/83/386139783.db2.gz YBWIGIUMXFFCPE-WOPDTQHZSA-N 2 2 211.353 0.620 10 0 BCAELP CC[N@@H+]1CC[C@H](N[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414353198 386140185 /nfs/dbraw/zinc/14/01/85/386140185.db2.gz YBWIGIUMXFFCPE-SRVKXCTJSA-N 2 2 211.353 0.620 10 0 BCAELP CC[N@H+]1CC[C@H](N[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414353198 386140188 /nfs/dbraw/zinc/14/01/88/386140188.db2.gz YBWIGIUMXFFCPE-SRVKXCTJSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000414353198 386140193 /nfs/dbraw/zinc/14/01/93/386140193.db2.gz YBWIGIUMXFFCPE-SRVKXCTJSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000414353198 386140197 /nfs/dbraw/zinc/14/01/97/386140197.db2.gz YBWIGIUMXFFCPE-SRVKXCTJSA-N 2 2 211.353 0.620 10 0 BCAELP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21)C1CC1 ZINC000336647921 386256710 /nfs/dbraw/zinc/25/67/10/386256710.db2.gz FXBNQJIZTMIAOK-WCFLWFBJSA-N 2 2 224.348 0.926 10 0 BCAELP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21)C1CC1 ZINC000336647921 386256715 /nfs/dbraw/zinc/25/67/15/386256715.db2.gz FXBNQJIZTMIAOK-WCFLWFBJSA-N 2 2 224.348 0.926 10 0 BCAELP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21)C1CC1 ZINC000336647921 386256719 /nfs/dbraw/zinc/25/67/19/386256719.db2.gz FXBNQJIZTMIAOK-WCFLWFBJSA-N 2 2 224.348 0.926 10 0 BCAELP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]21)C1CC1 ZINC000336647921 386256725 /nfs/dbraw/zinc/25/67/25/386256725.db2.gz FXBNQJIZTMIAOK-WCFLWFBJSA-N 2 2 224.348 0.926 10 0 BCAELP Cc1noc(CCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000647987666 386278646 /nfs/dbraw/zinc/27/86/46/386278646.db2.gz PCIOPABKMXXYSZ-WPRPVWTQSA-N 2 2 224.308 0.590 10 0 BCAELP Cc1noc(CCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000647987666 386278655 /nfs/dbraw/zinc/27/86/55/386278655.db2.gz PCIOPABKMXXYSZ-WPRPVWTQSA-N 2 2 224.308 0.590 10 0 BCAELP c1ccc2c(c1)OC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)O2 ZINC000094075073 386445148 /nfs/dbraw/zinc/44/51/48/386445148.db2.gz AAGLAWANIZFAHU-WDEREUQCSA-N 2 2 234.299 0.778 10 0 BCAELP CCC[C@@](C)([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254856 386507724 /nfs/dbraw/zinc/50/77/24/386507724.db2.gz IPPUNHUEPKCGFC-GFCCVEGCSA-N 2 2 236.319 0.743 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCOC1)C2 ZINC000336760519 386733594 /nfs/dbraw/zinc/73/35/94/386733594.db2.gz MFIMBEAIKUMTCA-BDAKNGLRSA-N 2 2 207.277 0.646 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC000336760519 386733601 /nfs/dbraw/zinc/73/36/01/386733601.db2.gz MFIMBEAIKUMTCA-BDAKNGLRSA-N 2 2 207.277 0.646 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[NH2+]C1 ZINC000044502991 386722204 /nfs/dbraw/zinc/72/22/04/386722204.db2.gz WQLLNIKGIFFUJW-VIFPVBQESA-N 2 2 246.318 0.775 10 0 BCAELP CC(C)n1cc[nH+]c1CN1CC[C@H]([NH3+])C1 ZINC000334862866 386917004 /nfs/dbraw/zinc/91/70/04/386917004.db2.gz GPOOIZGGZWVGAS-JTQLQIEISA-N 2 2 208.309 0.997 10 0 BCAELP O[C@@H]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000398781688 386990933 /nfs/dbraw/zinc/99/09/33/386990933.db2.gz KIOIZIPAXZKLAM-RWMBFGLXSA-N 2 2 235.331 0.976 10 0 BCAELP O[C@@H]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000398781688 386990935 /nfs/dbraw/zinc/99/09/35/386990935.db2.gz KIOIZIPAXZKLAM-RWMBFGLXSA-N 2 2 235.331 0.976 10 0 BCAELP O[C@@H]1CC[C@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]2C1 ZINC000398781690 386991520 /nfs/dbraw/zinc/99/15/20/386991520.db2.gz KIOIZIPAXZKLAM-YNEHKIRRSA-N 2 2 235.331 0.976 10 0 BCAELP O[C@@H]1CC[C@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]2C1 ZINC000398781690 386991523 /nfs/dbraw/zinc/99/15/23/386991523.db2.gz KIOIZIPAXZKLAM-YNEHKIRRSA-N 2 2 235.331 0.976 10 0 BCAELP CC1CC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000519152316 387022028 /nfs/dbraw/zinc/02/20/28/387022028.db2.gz ODTVJVXRVHEHOS-VQXHTEKXSA-N 2 2 225.336 0.134 10 0 BCAELP CC1CC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000519152316 387022031 /nfs/dbraw/zinc/02/20/31/387022031.db2.gz ODTVJVXRVHEHOS-VQXHTEKXSA-N 2 2 225.336 0.134 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NCC[C@@H]1CC[NH2+]C1 ZINC000110798922 387068139 /nfs/dbraw/zinc/06/81/39/387068139.db2.gz XFUPHMGOULLRJP-VIFPVBQESA-N 2 2 246.318 0.775 10 0 BCAELP C[C@@H]1CS[C@@](C)([C@H]2C[NH2+]CCO2)[NH2+]1 ZINC000575517892 387434757 /nfs/dbraw/zinc/43/47/57/387434757.db2.gz NXEIBGMJBPATLK-HLTSFMKQSA-N 2 2 202.323 0.416 10 0 BCAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000643454662 387386229 /nfs/dbraw/zinc/38/62/29/387386229.db2.gz LRHUIKTZOINDRN-GRYCIOLGSA-N 3 2 213.369 0.914 10 0 BCAELP COC[C@]1(C(=O)Nc2cc[nH+]c(C)c2)CCC[NH2+]1 ZINC000649279634 388507686 /nfs/dbraw/zinc/50/76/86/388507686.db2.gz FRRVZCMMZXRSCO-ZDUSSCGKSA-N 2 2 249.314 0.519 10 0 BCAELP F[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575461779 388816335 /nfs/dbraw/zinc/81/63/35/388816335.db2.gz LQCLIRHWPSKRIK-BDAKNGLRSA-N 2 2 204.314 0.735 10 0 BCAELP F[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575461779 388816339 /nfs/dbraw/zinc/81/63/39/388816339.db2.gz LQCLIRHWPSKRIK-BDAKNGLRSA-N 2 2 204.314 0.735 10 0 BCAELP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000564644727 388879825 /nfs/dbraw/zinc/87/98/25/388879825.db2.gz RYMQWGJMHMKICQ-WOPDTQHZSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000564644727 388879827 /nfs/dbraw/zinc/87/98/27/388879827.db2.gz RYMQWGJMHMKICQ-WOPDTQHZSA-N 2 2 228.336 0.461 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1C ZINC000565540265 388951982 /nfs/dbraw/zinc/95/19/82/388951982.db2.gz OBIXCKZOHKUVRS-DCAQKATOSA-N 2 2 249.362 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1C ZINC000565540265 388951985 /nfs/dbraw/zinc/95/19/85/388951985.db2.gz OBIXCKZOHKUVRS-DCAQKATOSA-N 2 2 249.362 0.547 10 0 BCAELP Cc1cccnc1N1CC[NH+](CCC[NH3+])CC1 ZINC000051040733 132359783 /nfs/dbraw/zinc/35/97/83/132359783.db2.gz ZEVFXKMSYUZUCL-UHFFFAOYSA-N 2 2 234.347 0.861 10 0 BCAELP Cc1cc[nH+]c(N2CCN([C@H](C)C[NH3+])CC2)c1 ZINC000058022117 132367990 /nfs/dbraw/zinc/36/79/90/132367990.db2.gz KTVPMCUYWPRWIY-GFCCVEGCSA-N 2 2 234.347 0.859 10 0 BCAELP CNC(=O)[C@@H]1CCCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000061811684 132387213 /nfs/dbraw/zinc/38/72/13/132387213.db2.gz KRSOAZOWSLLWOO-LBPRGKRZSA-N 2 2 248.330 0.645 10 0 BCAELP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772249 135141668 /nfs/dbraw/zinc/14/16/68/135141668.db2.gz DHENZZMZMSLJCS-QWRGUYRKSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772249 135141669 /nfs/dbraw/zinc/14/16/69/135141669.db2.gz DHENZZMZMSLJCS-QWRGUYRKSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000261535766 135170484 /nfs/dbraw/zinc/17/04/84/135170484.db2.gz PCTBBXNRDQHOTE-MWLCHTKSSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000261535766 135170485 /nfs/dbraw/zinc/17/04/85/135170485.db2.gz PCTBBXNRDQHOTE-MWLCHTKSSA-N 2 2 208.309 0.904 10 0 BCAELP Cc1nn(C)cc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261538385 135176181 /nfs/dbraw/zinc/17/61/81/135176181.db2.gz XXNWTLANMIDMHO-GZMMTYOYSA-N 2 2 208.309 0.508 10 0 BCAELP Cc1nn(C)cc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261538385 135176183 /nfs/dbraw/zinc/17/61/83/135176183.db2.gz XXNWTLANMIDMHO-GZMMTYOYSA-N 2 2 208.309 0.508 10 0 BCAELP C[C@@H]1CC[C@@H](C)[NH+]1Cc1noc(C[NH3+])n1 ZINC000261539486 135177601 /nfs/dbraw/zinc/17/76/01/135177601.db2.gz COGAXQJTEJXQNE-HTQZYQBOSA-N 2 2 210.281 0.901 10 0 BCAELP OC[C@]1(F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261551118 135190472 /nfs/dbraw/zinc/19/04/72/135190472.db2.gz QCWMXJSFCDXVQP-QWRGUYRKSA-N 2 2 216.300 0.392 10 0 BCAELP OC[C@]1(F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261551118 135190473 /nfs/dbraw/zinc/19/04/73/135190473.db2.gz QCWMXJSFCDXVQP-QWRGUYRKSA-N 2 2 216.300 0.392 10 0 BCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261552975 135192051 /nfs/dbraw/zinc/19/20/51/135192051.db2.gz NNNWXYQQZAKUCW-LLVKDONJSA-N 2 2 241.379 0.818 10 0 BCAELP CC(C)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261552975 135192053 /nfs/dbraw/zinc/19/20/53/135192053.db2.gz NNNWXYQQZAKUCW-LLVKDONJSA-N 2 2 241.379 0.818 10 0 BCAELP Cc1csc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000261557327 135198210 /nfs/dbraw/zinc/19/82/10/135198210.db2.gz XFBBZGCSOKDYRA-BDAKNGLRSA-N 2 2 227.333 0.121 10 0 BCAELP CC1(C)C[N@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000261566037 135208178 /nfs/dbraw/zinc/20/81/78/135208178.db2.gz DGDJHSSZBJKHIS-SNVBAGLBSA-N 2 2 208.309 0.969 10 0 BCAELP CC1(C)C[N@@H+](Cc2cc[nH]n2)CC[C@H]1[NH3+] ZINC000261566037 135208180 /nfs/dbraw/zinc/20/81/80/135208180.db2.gz DGDJHSSZBJKHIS-SNVBAGLBSA-N 2 2 208.309 0.969 10 0 BCAELP CCc1nc(N2CCO[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000261567624 135209236 /nfs/dbraw/zinc/20/92/36/135209236.db2.gz ZYRMFPZDBSLLNJ-SNVBAGLBSA-N 2 2 236.319 0.511 10 0 BCAELP Cn1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261576024 135217288 /nfs/dbraw/zinc/21/72/88/135217288.db2.gz KAZNFVAKJOAENJ-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP Cn1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261576024 135217290 /nfs/dbraw/zinc/21/72/90/135217290.db2.gz KAZNFVAKJOAENJ-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]([NH3+])C[NH+]1CCC(n2cncn2)CC1 ZINC000261582520 135223207 /nfs/dbraw/zinc/22/32/07/135223207.db2.gz OKBMKBPMPBVJFU-VIFPVBQESA-N 2 2 209.297 0.262 10 0 BCAELP [NH3+]CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000261591415 135232274 /nfs/dbraw/zinc/23/22/74/135232274.db2.gz VGSQADHQKKPLNC-UHFFFAOYSA-N 2 2 221.308 0.312 10 0 BCAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCn2cc[nH+]c2C1 ZINC000261664016 135243351 /nfs/dbraw/zinc/24/33/51/135243351.db2.gz FKROCOLTKCOYNJ-WDEREUQCSA-N 2 2 248.330 0.743 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262002097 135271019 /nfs/dbraw/zinc/27/10/19/135271019.db2.gz QDRBCEVWVROUOB-NSHDSACASA-N 2 2 237.351 0.777 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000262002097 135271020 /nfs/dbraw/zinc/27/10/20/135271020.db2.gz QDRBCEVWVROUOB-NSHDSACASA-N 2 2 237.351 0.777 10 0 BCAELP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)nc1 ZINC000263166174 135336145 /nfs/dbraw/zinc/33/61/45/135336145.db2.gz FFQXTXHPBNOWQO-ZYHUDNBSSA-N 2 2 221.304 0.060 10 0 BCAELP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263262153 135343893 /nfs/dbraw/zinc/34/38/93/135343893.db2.gz RBINGXVPWKSHNF-SECBINFHSA-N 2 2 249.305 0.440 10 0 BCAELP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263262153 135343896 /nfs/dbraw/zinc/34/38/96/135343896.db2.gz RBINGXVPWKSHNF-SECBINFHSA-N 2 2 249.305 0.440 10 0 BCAELP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000649588402 397979556 /nfs/dbraw/zinc/97/95/56/397979556.db2.gz MHBOJQMOTCNZNU-YNEHKIRRSA-N 2 2 242.363 0.864 10 0 BCAELP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000649588402 397979561 /nfs/dbraw/zinc/97/95/61/397979561.db2.gz MHBOJQMOTCNZNU-YNEHKIRRSA-N 2 2 242.363 0.864 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000393000361 410286652 /nfs/dbraw/zinc/28/66/52/410286652.db2.gz SJNRBQNVHAEARF-HBNTYKKESA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000393000361 410286659 /nfs/dbraw/zinc/28/66/59/410286659.db2.gz SJNRBQNVHAEARF-HBNTYKKESA-N 2 2 225.336 0.337 10 0 BCAELP CC(C)[NH2+]CC[NH2+]CCCN1CCOCC1 ZINC000049478649 167107329 /nfs/dbraw/zinc/10/73/29/167107329.db2.gz MUDYANCNTPXVGJ-UHFFFAOYSA-N 2 2 229.368 0.296 10 0 BCAELP CC(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccn1 ZINC000036777309 167113203 /nfs/dbraw/zinc/11/32/03/167113203.db2.gz ODDNMMQPAWWKJX-ZDUSSCGKSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccn1 ZINC000036777309 167113204 /nfs/dbraw/zinc/11/32/04/167113204.db2.gz ODDNMMQPAWWKJX-ZDUSSCGKSA-N 2 2 237.347 0.872 10 0 BCAELP c1cn2c([nH+]1)CN(C[C@@H]1CC[NH2+]C1)CC2 ZINC000062252224 411197770 /nfs/dbraw/zinc/19/77/70/411197770.db2.gz LVENFXPZQTXYBR-SNVBAGLBSA-N 2 2 206.293 0.308 10 0 BCAELP Nc1ccc([C@@H]2CCN(CC[NH3+])CCO2)c[nH+]1 ZINC000616593040 411287159 /nfs/dbraw/zinc/28/71/59/411287159.db2.gz IIGVSQXHFPYEKP-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP Nc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cn1 ZINC000616607661 411287249 /nfs/dbraw/zinc/28/72/49/411287249.db2.gz KUYQRNLIMAUYGA-JTQLQIEISA-N 2 2 206.293 0.759 10 0 BCAELP Nc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cn1 ZINC000616607661 411287250 /nfs/dbraw/zinc/28/72/50/411287250.db2.gz KUYQRNLIMAUYGA-JTQLQIEISA-N 2 2 206.293 0.759 10 0 BCAELP C[NH+](C)[C@@H]1CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000062969401 411334563 /nfs/dbraw/zinc/33/45/63/411334563.db2.gz IMMRZWRHRPULQD-LLVKDONJSA-N 2 2 220.320 0.800 10 0 BCAELP CC1CCC(C(N)=O)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000038000711 168149849 /nfs/dbraw/zinc/14/98/49/168149849.db2.gz GMLJDYQDAUIQFH-UHFFFAOYSA-N 2 2 239.363 0.716 10 0 BCAELP CC1CCC(C(N)=O)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000038000711 168149851 /nfs/dbraw/zinc/14/98/51/168149851.db2.gz GMLJDYQDAUIQFH-UHFFFAOYSA-N 2 2 239.363 0.716 10 0 BCAELP CC1CC[NH+](CC[C@H]([NH2+]C2CC2)C(N)=O)CC1 ZINC000062439795 168182810 /nfs/dbraw/zinc/18/28/10/168182810.db2.gz MEZWCUHZTOLWNA-LBPRGKRZSA-N 2 2 239.363 0.714 10 0 BCAELP CC[NH+]1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000038047029 169954143 /nfs/dbraw/zinc/95/41/43/169954143.db2.gz QQUOTYRYXOHCKX-UHFFFAOYSA-N 2 2 248.392 0.495 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@H]2CCO[C@H]2C)n1C ZINC000657422273 411502611 /nfs/dbraw/zinc/50/26/11/411502611.db2.gz VJIMIAPVLSQSER-KWQFWETISA-N 2 2 209.293 0.996 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000328209625 170023136 /nfs/dbraw/zinc/02/31/36/170023136.db2.gz UZBREHLBGKEYNO-NEPJUHHUSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000328209625 170023137 /nfs/dbraw/zinc/02/31/37/170023137.db2.gz UZBREHLBGKEYNO-NEPJUHHUSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(N)=O)[C@@H](C)C1 ZINC000336768879 170037590 /nfs/dbraw/zinc/03/75/90/170037590.db2.gz UOPOMGXNJJWDLX-GUBZILKMSA-N 2 2 213.325 0.180 10 0 BCAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(N)=O)[C@@H](C)C1 ZINC000336768879 170037591 /nfs/dbraw/zinc/03/75/91/170037591.db2.gz UOPOMGXNJJWDLX-GUBZILKMSA-N 2 2 213.325 0.180 10 0 BCAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CCCO[C@H](C)C1 ZINC000061917231 170153122 /nfs/dbraw/zinc/15/31/22/170153122.db2.gz SCBIGBDEYFVEJO-UPJWGTAASA-N 2 2 242.363 0.864 10 0 BCAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CCCO[C@H](C)C1 ZINC000061917231 170153123 /nfs/dbraw/zinc/15/31/23/170153123.db2.gz SCBIGBDEYFVEJO-UPJWGTAASA-N 2 2 242.363 0.864 10 0 BCAELP CCOC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1CC ZINC000044365850 170253693 /nfs/dbraw/zinc/25/36/93/170253693.db2.gz MGWQWEOZISMBPF-VIFPVBQESA-N 2 2 211.265 0.336 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CO)C1CCC1 ZINC000661157003 411722820 /nfs/dbraw/zinc/72/28/20/411722820.db2.gz ZTMZEUMVALJJQR-NWDGAFQWSA-N 2 2 212.337 0.831 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CO)C1CCC1 ZINC000661157003 411722824 /nfs/dbraw/zinc/72/28/24/411722824.db2.gz ZTMZEUMVALJJQR-NWDGAFQWSA-N 2 2 212.337 0.831 10 0 BCAELP Nc1ccn(C2CC[NH+](CC[NH3+])CC2)n1 ZINC000616619305 411975912 /nfs/dbraw/zinc/97/59/12/411975912.db2.gz HRPJDHJDKFWTAF-UHFFFAOYSA-N 2 2 209.297 0.061 10 0 BCAELP Nc1cc(C2CC[NH+](CC[NH3+])CC2)[nH]n1 ZINC000616620305 411976920 /nfs/dbraw/zinc/97/69/20/411976920.db2.gz VCIBEUCAPCIHRW-UHFFFAOYSA-N 2 2 209.297 0.130 10 0 BCAELP CC[C@@H]1C[N@@H+]([C@@H](C[NH3+])[C@@H]2CCCOC2)CCO1 ZINC000104324831 171094584 /nfs/dbraw/zinc/09/45/84/171094584.db2.gz GJGVISJMQRRPFU-UPJWGTAASA-N 2 2 242.363 0.851 10 0 BCAELP CC[C@@H]1C[N@H+]([C@@H](C[NH3+])[C@@H]2CCCOC2)CCO1 ZINC000104324831 171094585 /nfs/dbraw/zinc/09/45/85/171094585.db2.gz GJGVISJMQRRPFU-UPJWGTAASA-N 2 2 242.363 0.851 10 0 BCAELP CCc1[nH+]c2ccccc2n1C[C@@](C)([NH3+])C(N)=O ZINC000062808022 172014502 /nfs/dbraw/zinc/01/45/02/172014502.db2.gz WGXQOROAZSUMSE-CYBMUJFWSA-N 2 2 246.314 0.801 10 0 BCAELP CN(C)C(=O)CN(C)c1cc[nH+]c(C[NH3+])c1 ZINC000061811549 172363449 /nfs/dbraw/zinc/36/34/49/172363449.db2.gz LAYZKWWGNLTFOM-UHFFFAOYSA-N 2 2 222.292 0.065 10 0 BCAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000054459639 173042778 /nfs/dbraw/zinc/04/27/78/173042778.db2.gz KLUJIYOLUWGIQN-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000054459639 173042779 /nfs/dbraw/zinc/04/27/79/173042779.db2.gz KLUJIYOLUWGIQN-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC000020056804 173067682 /nfs/dbraw/zinc/06/76/82/173067682.db2.gz XDJHIONFRMMACK-UHFFFAOYSA-N 2 2 213.325 0.149 10 0 BCAELP C[NH+]1CCN([C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037157161 173091905 /nfs/dbraw/zinc/09/19/05/173091905.db2.gz BHTFXWJZHCTUNF-VXGBXAGGSA-N 2 2 211.353 0.751 10 0 BCAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766433 173146454 /nfs/dbraw/zinc/14/64/54/173146454.db2.gz BZLQYYSIUKOROX-SNVBAGLBSA-N 2 2 206.293 0.518 10 0 BCAELP C[N@H+]1CC[C@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766433 173146457 /nfs/dbraw/zinc/14/64/57/173146457.db2.gz BZLQYYSIUKOROX-SNVBAGLBSA-N 2 2 206.293 0.518 10 0 BCAELP C[N@@H+]1CCc2sc([C@@H](O)C[NH3+])nc2C1 ZINC000076166587 173175807 /nfs/dbraw/zinc/17/58/07/173175807.db2.gz HNMMKGWRNPBGMI-ZETCQYMHSA-N 2 2 213.306 0.123 10 0 BCAELP C[N@H+]1CCc2sc([C@@H](O)C[NH3+])nc2C1 ZINC000076166587 173175809 /nfs/dbraw/zinc/17/58/09/173175809.db2.gz HNMMKGWRNPBGMI-ZETCQYMHSA-N 2 2 213.306 0.123 10 0 BCAELP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCC2)C1 ZINC000061984757 173152429 /nfs/dbraw/zinc/15/24/29/173152429.db2.gz KFFICHDEFGYZSH-NSHDSACASA-N 2 2 225.336 0.293 10 0 BCAELP C[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCC2)C1 ZINC000061984757 173152432 /nfs/dbraw/zinc/15/24/32/173152432.db2.gz KFFICHDEFGYZSH-NSHDSACASA-N 2 2 225.336 0.293 10 0 BCAELP C[N@@H+]1CCc2nc([C@H]([NH3+])CO)sc2C1 ZINC000076136102 173173209 /nfs/dbraw/zinc/17/32/09/173173209.db2.gz GDEJEXWJZOMEFB-ZCFIWIBFSA-N 2 2 213.306 0.123 10 0 BCAELP C[N@H+]1CCc2nc([C@H]([NH3+])CO)sc2C1 ZINC000076136102 173173211 /nfs/dbraw/zinc/17/32/11/173173211.db2.gz GDEJEXWJZOMEFB-ZCFIWIBFSA-N 2 2 213.306 0.123 10 0 BCAELP C[NH2+]C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000037469334 173323656 /nfs/dbraw/zinc/32/36/56/173323656.db2.gz QRJRYUHWNIPGDO-NSHDSACASA-N 2 2 225.336 0.339 10 0 BCAELP C[NH2+]CC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000193132627 173327757 /nfs/dbraw/zinc/32/77/57/173327757.db2.gz NNSICPFDNCZHIQ-WDEREUQCSA-N 2 2 236.319 0.512 10 0 BCAELP C[NH2+]CC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000193132612 173328081 /nfs/dbraw/zinc/32/80/81/173328081.db2.gz NNSICPFDNCZHIQ-GHMZBOCLSA-N 2 2 236.319 0.512 10 0 BCAELP C[NH2+]CC1(C[N@@H+]2CCO[C@@H](C)C2)CCOCC1 ZINC000052180863 173337671 /nfs/dbraw/zinc/33/76/71/173337671.db2.gz HDPYHGDHZPZNSA-LBPRGKRZSA-N 2 2 242.363 0.723 10 0 BCAELP C[NH2+]CC1(C[N@H+]2CCO[C@@H](C)C2)CCOCC1 ZINC000052180863 173337672 /nfs/dbraw/zinc/33/76/72/173337672.db2.gz HDPYHGDHZPZNSA-LBPRGKRZSA-N 2 2 242.363 0.723 10 0 BCAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCCOCC1 ZINC000061936210 173361809 /nfs/dbraw/zinc/36/18/09/173361809.db2.gz RDGNBUHHZPQWLH-NSHDSACASA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCCOCC1 ZINC000061936210 173361811 /nfs/dbraw/zinc/36/18/11/173361811.db2.gz RDGNBUHHZPQWLH-NSHDSACASA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](O)C[N@H+](C)CCc1ccccn1 ZINC000019864149 173376094 /nfs/dbraw/zinc/37/60/94/173376094.db2.gz IXMLGNKRMJHPKW-LBPRGKRZSA-N 2 2 223.320 0.136 10 0 BCAELP C[NH2+]C[C@H](O)C[N@@H+](C)CCc1ccccn1 ZINC000019864149 173376095 /nfs/dbraw/zinc/37/60/95/173376095.db2.gz IXMLGNKRMJHPKW-LBPRGKRZSA-N 2 2 223.320 0.136 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000040600652 173379092 /nfs/dbraw/zinc/37/90/92/173379092.db2.gz NTZZWZJIOLEWFI-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000040600652 173379094 /nfs/dbraw/zinc/37/90/94/173379094.db2.gz NTZZWZJIOLEWFI-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000071143881 173380460 /nfs/dbraw/zinc/38/04/60/173380460.db2.gz MITBTEKRTYOWTL-LLVKDONJSA-N 2 2 236.319 0.341 10 0 BCAELP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000071145439 173381488 /nfs/dbraw/zinc/38/14/88/173381488.db2.gz XVKNKNLDEKWARO-SECBINFHSA-N 2 2 238.287 0.387 10 0 BCAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000071145439 173381489 /nfs/dbraw/zinc/38/14/89/173381489.db2.gz XVKNKNLDEKWARO-SECBINFHSA-N 2 2 238.287 0.387 10 0 BCAELP C[NH2+]C[C@H]1CC[N@@H+]([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000053033971 173382047 /nfs/dbraw/zinc/38/20/47/173382047.db2.gz WOYVZDLXXGQJJH-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]C[C@H]1CC[N@H+]([C@]2(C)CCS(=O)(=O)C2)C1 ZINC000053033971 173382049 /nfs/dbraw/zinc/38/20/49/173382049.db2.gz WOYVZDLXXGQJJH-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP COCCC[N@H+](CCOC)[C@]1(C[NH3+])CCOC1 ZINC000104072109 174226631 /nfs/dbraw/zinc/22/66/31/174226631.db2.gz BQVLGNMTBMQBKY-LBPRGKRZSA-N 2 2 246.351 0.089 10 0 BCAELP COCCC[N@@H+](CCOC)[C@]1(C[NH3+])CCOC1 ZINC000104072109 174226633 /nfs/dbraw/zinc/22/66/33/174226633.db2.gz BQVLGNMTBMQBKY-LBPRGKRZSA-N 2 2 246.351 0.089 10 0 BCAELP COCCC[N@H+](CCOC)[C@@](C)(C[NH3+])COC ZINC000053198503 174227031 /nfs/dbraw/zinc/22/70/31/174227031.db2.gz PGNBPDHVXAYZIC-LBPRGKRZSA-N 2 2 248.367 0.335 10 0 BCAELP COCCC[N@@H+](CCOC)[C@@](C)(C[NH3+])COC ZINC000053198503 174227034 /nfs/dbraw/zinc/22/70/34/174227034.db2.gz PGNBPDHVXAYZIC-LBPRGKRZSA-N 2 2 248.367 0.335 10 0 BCAELP COCC[NH2+]Cc1csc(C[NH+](C)C)n1 ZINC000082686663 174335636 /nfs/dbraw/zinc/33/56/36/174335636.db2.gz NGBYQEWLLDQYRP-UHFFFAOYSA-N 2 2 229.349 0.941 10 0 BCAELP COc1ccc([C@@H]([NH3+])C[NH3+])c(F)c1F ZINC000044473206 175179866 /nfs/dbraw/zinc/17/98/66/175179866.db2.gz QLKQJHAIKDVNOF-LURJTMIESA-N 2 2 202.204 0.932 10 0 BCAELP COc1cccc(OC[C@H](C[NH3+])[NH+](C)C)c1 ZINC000020400018 175284418 /nfs/dbraw/zinc/28/44/18/175284418.db2.gz QQOTVZWZAQNEOQ-JTQLQIEISA-N 2 2 224.304 0.963 10 0 BCAELP C[C@@H]([NH3+])[C@H](c1ccccc1)[NH+](CCO)CCO ZINC000042901796 175813575 /nfs/dbraw/zinc/81/35/75/175813575.db2.gz ZFOBWCJWXLYYBT-DGCLKSJQSA-N 2 2 238.331 0.362 10 0 BCAELP C[C@@H]1CC[N@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000224848307 176172444 /nfs/dbraw/zinc/17/24/44/176172444.db2.gz QQRGZZUQSFSFNM-VXGBXAGGSA-N 2 2 222.336 0.942 10 0 BCAELP C[C@@H]1CC[N@@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000224848307 176172445 /nfs/dbraw/zinc/17/24/45/176172445.db2.gz QQRGZZUQSFSFNM-VXGBXAGGSA-N 2 2 222.336 0.942 10 0 BCAELP C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000280131433 176301846 /nfs/dbraw/zinc/30/18/46/176301846.db2.gz AXPWFNYAAKUGDP-KOLCDFICSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000280131433 176301847 /nfs/dbraw/zinc/30/18/47/176301847.db2.gz AXPWFNYAAKUGDP-KOLCDFICSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000271563837 176312500 /nfs/dbraw/zinc/31/25/00/176312500.db2.gz NTAIFVHYYZPQTO-NXEZZACHSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1COC[C@@H](C)[NH+]1CCn1cc[nH+]c1 ZINC000162011810 176346646 /nfs/dbraw/zinc/34/66/46/176346646.db2.gz UVSYSBSDOQLWHQ-GHMZBOCLSA-N 2 2 209.293 0.992 10 0 BCAELP C[C@@H]1CSC(NCCn2cc[nH+]c2)=[NH+]1 ZINC000042542223 176349464 /nfs/dbraw/zinc/34/94/64/176349464.db2.gz DVESUHTWVCOCTO-MRVPVSSYSA-N 2 2 210.306 0.964 10 0 BCAELP C[C@H]1CCN(CC[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847118 177160744 /nfs/dbraw/zinc/16/07/44/177160744.db2.gz VPBLQVOFGMYBTD-QWHCGFSZSA-N 2 2 241.379 0.378 10 0 BCAELP C[C@H]1CC[N@H+](CCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847118 177160746 /nfs/dbraw/zinc/16/07/46/177160746.db2.gz VPBLQVOFGMYBTD-QWHCGFSZSA-N 2 2 241.379 0.378 10 0 BCAELP C[C@H]1CC[N@@H+](CCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847118 177160747 /nfs/dbraw/zinc/16/07/47/177160747.db2.gz VPBLQVOFGMYBTD-QWHCGFSZSA-N 2 2 241.379 0.378 10 0 BCAELP C[C@H]1CCN(Cc2c[nH+]cn2C)[C@@H](C[NH3+])C1 ZINC000235615826 177166830 /nfs/dbraw/zinc/16/68/30/177166830.db2.gz KJHHWXNYZLQCJH-WDEREUQCSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]1C[N@H+](C)CCN1C(=O)C1([NH3+])CCC1 ZINC000235715977 177233424 /nfs/dbraw/zinc/23/34/24/177233424.db2.gz UCZXMZOQNCMREZ-VIFPVBQESA-N 2 2 211.309 0.030 10 0 BCAELP C[C@H]1C[N@@H+](C)CCN1C(=O)C1([NH3+])CCC1 ZINC000235715977 177233425 /nfs/dbraw/zinc/23/34/25/177233425.db2.gz UCZXMZOQNCMREZ-VIFPVBQESA-N 2 2 211.309 0.030 10 0 BCAELP C[C@@H]1C[NH2+][C@@H](C)CN1CCCn1cc[nH+]c1 ZINC000082934735 177251622 /nfs/dbraw/zinc/25/16/22/177251622.db2.gz VZWIZFKMKQNEIV-NWDGAFQWSA-N 2 2 222.336 0.955 10 0 BCAELP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365169 177257306 /nfs/dbraw/zinc/25/73/06/177257306.db2.gz DPCQEHAZQVLCCE-JQWIXIFHSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365169 177257307 /nfs/dbraw/zinc/25/73/07/177257307.db2.gz DPCQEHAZQVLCCE-JQWIXIFHSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000309365169 177257308 /nfs/dbraw/zinc/25/73/08/177257308.db2.gz DPCQEHAZQVLCCE-JQWIXIFHSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCS1 ZINC000309365169 177257310 /nfs/dbraw/zinc/25/73/10/177257310.db2.gz DPCQEHAZQVLCCE-JQWIXIFHSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[N@H+](Cc2ccoc2C[NH3+])CCO1 ZINC000052382443 177268554 /nfs/dbraw/zinc/26/85/54/177268554.db2.gz GJZVKCSBGVSYHZ-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1C[N@@H+](Cc2ccoc2C[NH3+])CCO1 ZINC000052382443 177268555 /nfs/dbraw/zinc/26/85/55/177268555.db2.gz GJZVKCSBGVSYHZ-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1C[N@H+](Cc2occc2C[NH3+])CCO1 ZINC000052382424 177272455 /nfs/dbraw/zinc/27/24/55/177272455.db2.gz ONHNCWISDRKQGJ-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1C[N@@H+](Cc2occc2C[NH3+])CCO1 ZINC000052382424 177272457 /nfs/dbraw/zinc/27/24/57/177272457.db2.gz ONHNCWISDRKQGJ-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000104228865 177285640 /nfs/dbraw/zinc/28/56/40/177285640.db2.gz XYLFRUCZPXVFBD-UWVGGRQHSA-N 2 2 234.303 0.081 10 0 BCAELP C[C@H]1COCC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000042335054 177290571 /nfs/dbraw/zinc/29/05/71/177290571.db2.gz IMXIXVYEISWVEJ-JTQLQIEISA-N 2 2 230.377 0.932 10 0 BCAELP C[C@H]1COCC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000042335054 177290573 /nfs/dbraw/zinc/29/05/73/177290573.db2.gz IMXIXVYEISWVEJ-JTQLQIEISA-N 2 2 230.377 0.932 10 0 BCAELP C[C@@H]1COC[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000162011564 177298454 /nfs/dbraw/zinc/29/84/54/177298454.db2.gz UVSYSBSDOQLWHQ-PHIMTYICSA-N 2 2 209.293 0.992 10 0 BCAELP C[C@@H]1COC[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000162011564 177298457 /nfs/dbraw/zinc/29/84/57/177298457.db2.gz UVSYSBSDOQLWHQ-PHIMTYICSA-N 2 2 209.293 0.992 10 0 BCAELP C[C@H]1COC[C@H](C)[NH+]1CCn1cc[nH+]c1 ZINC000162011684 177299971 /nfs/dbraw/zinc/29/99/71/177299971.db2.gz UVSYSBSDOQLWHQ-QWRGUYRKSA-N 2 2 209.293 0.992 10 0 BCAELP CC(C)([NH3+])CC(=O)N1CCn2cc[nH+]c2C1 ZINC000082772593 487729968 /nfs/dbraw/zinc/72/99/68/487729968.db2.gz QPKHZBQPROUCNT-UHFFFAOYSA-N 2 2 222.292 0.353 10 0 BCAELP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250887956 487743077 /nfs/dbraw/zinc/74/30/77/487743077.db2.gz WVSVMKIYTSYOJV-UPJWGTAASA-N 2 2 240.347 0.618 10 0 BCAELP C([C@H]1C[NH2+]CCO1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250887956 487743080 /nfs/dbraw/zinc/74/30/80/487743080.db2.gz WVSVMKIYTSYOJV-UPJWGTAASA-N 2 2 240.347 0.618 10 0 BCAELP CCn1cc[nH+]c1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000090298014 487929872 /nfs/dbraw/zinc/92/98/72/487929872.db2.gz DQAWKZCMESUJEM-UHFFFAOYSA-N 2 2 246.318 0.795 10 0 BCAELP CC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000070618581 323205132 /nfs/dbraw/zinc/20/51/32/323205132.db2.gz NRXDAQMDOCNOGJ-GFCCVEGCSA-N 2 2 225.336 0.293 10 0 BCAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(C)CCO2)n1C ZINC000566690373 326075153 /nfs/dbraw/zinc/07/51/53/326075153.db2.gz OKPIYYZEUSRHBV-GFCCVEGCSA-N 2 2 238.335 0.149 10 0 BCAELP CC[C@@H]([NH3+])c1cn(Cc2[nH+]ccn2CC)nn1 ZINC000229934388 487999252 /nfs/dbraw/zinc/99/92/52/487999252.db2.gz BVTNMNBWCOJYPG-SECBINFHSA-N 2 2 234.307 0.953 10 0 BCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000084311422 488044949 /nfs/dbraw/zinc/04/49/49/488044949.db2.gz PDCGEKPGLACRCZ-PSASIEDQSA-N 2 2 222.292 0.401 10 0 BCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000084311422 488044953 /nfs/dbraw/zinc/04/49/53/488044953.db2.gz PDCGEKPGLACRCZ-PSASIEDQSA-N 2 2 222.292 0.401 10 0 BCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000094647541 487547899 /nfs/dbraw/zinc/54/78/99/487547899.db2.gz SMXZYKNYXIGWIL-QWRGUYRKSA-N 2 2 236.319 0.387 10 0 BCAELP Cn1c2ccccc2[nH+]c1NC[C@@H]1COCC[NH2+]1 ZINC000236099745 488141782 /nfs/dbraw/zinc/14/17/82/488141782.db2.gz HECQVJWTHXFXHJ-SNVBAGLBSA-N 2 2 246.314 0.974 10 0 BCAELP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043803071 488207395 /nfs/dbraw/zinc/20/73/95/488207395.db2.gz WVSVMKIYTSYOJV-XQQFMLRXSA-N 2 2 240.347 0.618 10 0 BCAELP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043803071 488207398 /nfs/dbraw/zinc/20/73/98/488207398.db2.gz WVSVMKIYTSYOJV-XQQFMLRXSA-N 2 2 240.347 0.618 10 0 BCAELP C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000084081204 490365287 /nfs/dbraw/zinc/36/52/87/490365287.db2.gz MIMKCFHLDIXTHR-SNVBAGLBSA-N 2 2 208.265 0.168 10 0 BCAELP C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000084081204 490365292 /nfs/dbraw/zinc/36/52/92/490365292.db2.gz MIMKCFHLDIXTHR-SNVBAGLBSA-N 2 2 208.265 0.168 10 0 BCAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309112634 491144879 /nfs/dbraw/zinc/14/48/79/491144879.db2.gz KFLNSOWVEPYIEK-KKOKHZNYSA-N 2 2 212.337 0.830 10 0 BCAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000309112634 491144880 /nfs/dbraw/zinc/14/48/80/491144880.db2.gz KFLNSOWVEPYIEK-KKOKHZNYSA-N 2 2 212.337 0.830 10 0 BCAELP OCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309630221 491153237 /nfs/dbraw/zinc/15/32/37/491153237.db2.gz KCZSQRRHIBHLNY-NWDGAFQWSA-N 2 2 244.404 0.786 10 0 BCAELP OCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309630221 491153238 /nfs/dbraw/zinc/15/32/38/491153238.db2.gz KCZSQRRHIBHLNY-NWDGAFQWSA-N 2 2 244.404 0.786 10 0 BCAELP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757144639 582525413 /nfs/dbraw/zinc/52/54/13/582525413.db2.gz GKIGFKJATOQAJS-GFCCVEGCSA-N 2 2 226.320 0.577 10 0 BCAELP C[N@H+]1CCC[C@@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757144639 582525415 /nfs/dbraw/zinc/52/54/15/582525415.db2.gz GKIGFKJATOQAJS-GFCCVEGCSA-N 2 2 226.320 0.577 10 0 BCAELP CC[C@@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261538032 535820597 /nfs/dbraw/zinc/82/05/97/535820597.db2.gz XFBCKWXQTKVAHZ-MRVPVSSYSA-N 2 2 210.281 0.903 10 0 BCAELP CC[C@@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261538032 535820598 /nfs/dbraw/zinc/82/05/98/535820598.db2.gz XFBCKWXQTKVAHZ-MRVPVSSYSA-N 2 2 210.281 0.903 10 0 BCAELP CC[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000238856141 520275633 /nfs/dbraw/zinc/27/56/33/520275633.db2.gz UYSQIPDQTNSPFU-ZJUUUORDSA-N 2 2 243.351 0.885 10 0 BCAELP CC[N@@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000238856141 520275647 /nfs/dbraw/zinc/27/56/47/520275647.db2.gz UYSQIPDQTNSPFU-ZJUUUORDSA-N 2 2 243.351 0.885 10 0 BCAELP CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000226071351 534651147 /nfs/dbraw/zinc/65/11/47/534651147.db2.gz DQEUWUHMLBXVJI-ZJUUUORDSA-N 2 2 200.326 0.735 10 0 BCAELP CC(C)[NH2+][C@@](C)(Cn1cc[nH+]c1)C(N)=O ZINC000045432243 582879124 /nfs/dbraw/zinc/87/91/24/582879124.db2.gz DTALEEUMXJIWBF-JTQLQIEISA-N 2 2 210.281 0.125 10 0 BCAELP C[NH2+][C@@](C)(CCn1cc[nH+]c1)C(=O)OC ZINC000045432318 582879479 /nfs/dbraw/zinc/87/94/79/582879479.db2.gz QRLBBFCDSXZXGR-JTQLQIEISA-N 2 2 211.265 0.424 10 0 BCAELP [NH3+]Cc1nc([C@@H]([NH3+])c2ccc(F)cc2)no1 ZINC000095532884 527266390 /nfs/dbraw/zinc/26/63/90/527266390.db2.gz PAKFIHWFBBPZPU-VIFPVBQESA-N 2 2 222.223 0.716 10 0 BCAELP C[N@H+](CC[NH3+])[C@H]1CCCN(c2cccnn2)C1 ZINC000263079459 536368664 /nfs/dbraw/zinc/36/86/64/536368664.db2.gz XKMKNJBEXKESLC-NSHDSACASA-N 2 2 235.335 0.336 10 0 BCAELP C[N@@H+](CC[NH3+])[C@H]1CCCN(c2cccnn2)C1 ZINC000263079459 536368667 /nfs/dbraw/zinc/36/86/67/536368667.db2.gz XKMKNJBEXKESLC-NSHDSACASA-N 2 2 235.335 0.336 10 0 BCAELP COC[C@@H]([NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000088004357 536674398 /nfs/dbraw/zinc/67/43/98/536674398.db2.gz XVBXRCDYOVQHHL-MRVPVSSYSA-N 2 2 209.249 0.302 10 0 BCAELP COC[C@@H]1CCOC2(CC[NH2+]CC2)[NH2+]1 ZINC000757153701 582538392 /nfs/dbraw/zinc/53/83/92/582538392.db2.gz YRHBHHJFDNNGAQ-VIFPVBQESA-N 2 2 200.282 0.091 10 0 BCAELP CC[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000219539223 583174854 /nfs/dbraw/zinc/17/48/54/583174854.db2.gz OCUNCPHAVWGQPG-NWDGAFQWSA-N 2 2 228.336 0.068 10 0 BCAELP CC[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000219539223 583174857 /nfs/dbraw/zinc/17/48/57/583174857.db2.gz OCUNCPHAVWGQPG-NWDGAFQWSA-N 2 2 228.336 0.068 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+]1CCCO[C@H]1CCOC1 ZINC000757152124 586429629 /nfs/dbraw/zinc/42/96/29/586429629.db2.gz YVHILPJBOWYKML-MNOVXSKESA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+]1CCCO[C@H]1CCOC1 ZINC000757152124 586429631 /nfs/dbraw/zinc/42/96/31/586429631.db2.gz YVHILPJBOWYKML-MNOVXSKESA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]Cc1ccc([C@H]2[NH2+]CCC[C@@H]2[NH3+])cc1 ZINC000757216541 586441240 /nfs/dbraw/zinc/44/12/40/586441240.db2.gz QGNAMZHSMPCNPH-NWDGAFQWSA-N 3 2 205.305 0.897 10 0 BCAELP CNc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc[nH+]1 ZINC000125628114 634606467 /nfs/dbraw/zinc/60/64/67/634606467.db2.gz DBNWYGUXIHWKDJ-UWVGGRQHSA-N 2 2 235.335 0.905 10 0 BCAELP C[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235330633 635573990 /nfs/dbraw/zinc/57/39/90/635573990.db2.gz NYXWZJDTZIXGLH-KGYLQXTDSA-N 2 2 220.316 0.999 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235330633 635573999 /nfs/dbraw/zinc/57/39/99/635573999.db2.gz NYXWZJDTZIXGLH-KGYLQXTDSA-N 2 2 220.316 0.999 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000308481528 631392096 /nfs/dbraw/zinc/39/20/96/631392096.db2.gz MQLOTWSYBULUSX-VHSXEESVSA-N 2 2 204.314 0.051 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000308481528 631392099 /nfs/dbraw/zinc/39/20/99/631392099.db2.gz MQLOTWSYBULUSX-VHSXEESVSA-N 2 2 204.314 0.051 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000308481530 631390905 /nfs/dbraw/zinc/39/09/05/631390905.db2.gz MQLOTWSYBULUSX-ZJUUUORDSA-N 2 2 204.314 0.051 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000308481530 631390907 /nfs/dbraw/zinc/39/09/07/631390907.db2.gz MQLOTWSYBULUSX-ZJUUUORDSA-N 2 2 204.314 0.051 10 0 BCAELP CCCCOC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310309336 632718626 /nfs/dbraw/zinc/71/86/26/632718626.db2.gz DJFMMEOTFNNHQH-TUAOUCFPSA-N 2 2 240.347 0.999 10 0 BCAELP CCCCOC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310309336 632718630 /nfs/dbraw/zinc/71/86/30/632718630.db2.gz DJFMMEOTFNNHQH-TUAOUCFPSA-N 2 2 240.347 0.999 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000227910242 640853874 /nfs/dbraw/zinc/85/38/74/640853874.db2.gz GEAINDRUDGOEQR-OLZOCXBDSA-N 2 2 244.379 0.977 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000227910242 640853877 /nfs/dbraw/zinc/85/38/77/640853877.db2.gz GEAINDRUDGOEQR-OLZOCXBDSA-N 2 2 244.379 0.977 10 0 BCAELP C[NH2+][C@@H](CCn1cc[nH+]c1C)C(=O)OC ZINC000062535114 641058343 /nfs/dbraw/zinc/05/83/43/641058343.db2.gz VEBORHVKAUVVOH-VIFPVBQESA-N 2 2 211.265 0.343 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089092139 641427836 /nfs/dbraw/zinc/42/78/36/641427836.db2.gz LGWIEUUHYDHDEL-SCZZXKLOSA-N 2 2 246.318 0.903 10 0 BCAELP NC(=O)[C@]1([NH3+])CCC[C@H]1CCn1cc[nH+]c1 ZINC000086547935 644148424 /nfs/dbraw/zinc/14/84/24/644148424.db2.gz DAUUCBGDDDJHMM-ONGXEEELSA-N 2 2 222.292 0.256 10 0 BCAELP COC(=O)[C@@]1([NH3+])CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604642 644154927 /nfs/dbraw/zinc/15/49/27/644154927.db2.gz OOSNPHLOMHKRBO-GXSJLCMTSA-N 2 2 223.276 0.869 10 0 BCAELP CC[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626569 644156614 /nfs/dbraw/zinc/15/66/14/644156614.db2.gz YRAYZJDGHIFMQB-KOLCDFICSA-N 2 2 222.292 0.442 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252129093 644837299 /nfs/dbraw/zinc/83/72/99/644837299.db2.gz KMQZFELZPCJJOS-XQQFMLRXSA-N 2 2 244.379 0.832 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252129093 644837300 /nfs/dbraw/zinc/83/73/00/644837300.db2.gz KMQZFELZPCJJOS-XQQFMLRXSA-N 2 2 244.379 0.832 10 0 BCAELP COCC1CC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000713962544 712475114 /nfs/dbraw/zinc/47/51/14/712475114.db2.gz YSIPAXXAVMQKBK-WTIISPKJSA-N 2 2 242.363 0.768 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000714431005 712485982 /nfs/dbraw/zinc/48/59/82/712485982.db2.gz YZENDTIGZPOXAT-ZMLRMANQSA-N 2 2 235.335 0.467 10 0 BCAELP CCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nn1 ZINC000714431005 712485984 /nfs/dbraw/zinc/48/59/84/712485984.db2.gz YZENDTIGZPOXAT-ZMLRMANQSA-N 2 2 235.335 0.467 10 0 BCAELP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582743 712854904 /nfs/dbraw/zinc/85/49/04/712854904.db2.gz IXBVSSJTGXGBCG-VHSXEESVSA-N 2 2 223.324 0.465 10 0 BCAELP C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@H]1CC[NH2+]C1 ZINC000720604337 712857880 /nfs/dbraw/zinc/85/78/80/712857880.db2.gz ZQONNFWRMXPSMM-UTLUCORTSA-N 2 2 223.324 0.464 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000380225448 398191834 /nfs/dbraw/zinc/19/18/34/398191834.db2.gz NZKWIKVYOODRHC-UWVGGRQHSA-N 2 2 236.319 0.709 10 0 BCAELP Cc1cc(NC[C@H]2C[NH2+]CCO2)nc[nH+]1 ZINC000227786551 178170479 /nfs/dbraw/zinc/17/04/79/178170479.db2.gz MWCFQZMRKXQKMX-SECBINFHSA-N 2 2 208.265 0.185 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000386345927 398264783 /nfs/dbraw/zinc/26/47/83/398264783.db2.gz SZPAOIJCPMIBAX-NSHDSACASA-N 2 2 212.337 0.975 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000386345927 398264784 /nfs/dbraw/zinc/26/47/84/398264784.db2.gz SZPAOIJCPMIBAX-NSHDSACASA-N 2 2 212.337 0.975 10 0 BCAELP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C[NH3+])no1 ZINC000381748146 398270775 /nfs/dbraw/zinc/27/07/75/398270775.db2.gz QKMLCGAVTWGKKJ-YUMQZZPRSA-N 2 2 210.281 0.901 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000616612829 349592894 /nfs/dbraw/zinc/59/28/94/349592894.db2.gz SSVJZEZJPMGOKD-ZDUSSCGKSA-N 2 2 234.343 0.969 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](c2ccccc2CCO)C1 ZINC000616612829 349592895 /nfs/dbraw/zinc/59/28/95/349592895.db2.gz SSVJZEZJPMGOKD-ZDUSSCGKSA-N 2 2 234.343 0.969 10 0 BCAELP CC(C)([NH3+])C[N@@H+]1CCCC[C@H](CO)C1 ZINC000306656709 361866239 /nfs/dbraw/zinc/86/62/39/361866239.db2.gz HGSCMMCCKYCUAS-JTQLQIEISA-N 2 2 200.326 0.818 10 0 BCAELP CC(C)([NH3+])C[N@H+]1CCCC[C@H](CO)C1 ZINC000306656709 361866243 /nfs/dbraw/zinc/86/62/43/361866243.db2.gz HGSCMMCCKYCUAS-JTQLQIEISA-N 2 2 200.326 0.818 10 0 BCAELP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2[nH]cc[nH+]2)C1 ZINC000380340405 538989155 /nfs/dbraw/zinc/98/91/55/538989155.db2.gz RKMLTQGYMIXLPF-ZJUUUORDSA-N 2 2 208.309 0.840 10 0 BCAELP CC[N@@H+]1C[C@@H](C)[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000380340402 538989191 /nfs/dbraw/zinc/98/91/91/538989191.db2.gz RKMLTQGYMIXLPF-NXEZZACHSA-N 2 2 208.309 0.840 10 0 BCAELP CC1(C)CC[NH+](CC[C@H]([NH3+])C(N)=O)CC1 ZINC000062532982 539016392 /nfs/dbraw/zinc/01/63/92/539016392.db2.gz KCDPKFGSSGDSHK-VIFPVBQESA-N 2 2 213.325 0.311 10 0 BCAELP C[n+]1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000032604292 342853997 /nfs/dbraw/zinc/85/39/97/342853997.db2.gz AOWYXRYEHMSISA-UHFFFAOYSA-O 2 2 245.306 0.528 10 0 BCAELP CC[N@@H+]1CCO[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000134510056 342859875 /nfs/dbraw/zinc/85/98/75/342859875.db2.gz HWDMQBVGGWUSMH-LLVKDONJSA-N 2 2 236.319 0.918 10 0 BCAELP CC[N@H+]1CCO[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000134510056 342859877 /nfs/dbraw/zinc/85/98/77/342859877.db2.gz HWDMQBVGGWUSMH-LLVKDONJSA-N 2 2 236.319 0.918 10 0 BCAELP Oc1ccccc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000215949474 346904516 /nfs/dbraw/zinc/90/45/16/346904516.db2.gz BAGXAPJHZWQFSV-LLVKDONJSA-N 2 2 206.289 0.886 10 0 BCAELP COC(=O)[C@@H]1C[NH2+]C[C@H]([NH+]2CCCC2)C1 ZINC000107214244 343075632 /nfs/dbraw/zinc/07/56/32/343075632.db2.gz IIDSVJFGGREHFW-VHSXEESVSA-N 2 2 212.293 0.233 10 0 BCAELP C[C@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718043 343290201 /nfs/dbraw/zinc/29/02/01/343290201.db2.gz RAMNUJUPQFTTTN-WPRPVWTQSA-N 2 2 208.309 0.984 10 0 BCAELP C[NH2+]Cc1cn(Cc2[nH+]ccn2C(C)C)nn1 ZINC000641052469 362163246 /nfs/dbraw/zinc/16/32/46/362163246.db2.gz XVPOHQMEZCDJAS-UHFFFAOYSA-N 2 2 234.307 0.823 10 0 BCAELP CC(=O)N1CCC[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042681274 187266605 /nfs/dbraw/zinc/26/66/05/187266605.db2.gz QLNRGCPIBLIJMJ-QWHCGFSZSA-N 2 2 239.363 0.811 10 0 BCAELP CC(=O)N1CCC[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042681274 187266607 /nfs/dbraw/zinc/26/66/07/187266607.db2.gz QLNRGCPIBLIJMJ-QWHCGFSZSA-N 2 2 239.363 0.811 10 0 BCAELP COC(=O)[C@@]([NH3+])(Cn1cc[nH+]c1)C1CC1 ZINC000068943053 537803635 /nfs/dbraw/zinc/80/36/35/537803635.db2.gz MWJNAKCEEAZUJU-SNVBAGLBSA-N 2 2 209.249 0.164 10 0 BCAELP COC(=O)[C@]([NH3+])(Cn1cc[nH+]c1)C1CC1 ZINC000068943055 537804789 /nfs/dbraw/zinc/80/47/89/537804789.db2.gz MWJNAKCEEAZUJU-JTQLQIEISA-N 2 2 209.249 0.164 10 0 BCAELP [NH3+][C@@H]1CCC2(C[C@@H]1n1cc[nH+]c1)OCCO2 ZINC000023072025 344038604 /nfs/dbraw/zinc/03/86/04/344038604.db2.gz WTWHZOQWAJDPKO-ZJUUUORDSA-N 2 2 223.276 0.679 10 0 BCAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000300023276 344509854 /nfs/dbraw/zinc/50/98/54/344509854.db2.gz DMXRGIAAOFGTID-CHWSQXEVSA-N 3 2 243.395 0.814 10 0 BCAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000300023276 344509858 /nfs/dbraw/zinc/50/98/58/344509858.db2.gz DMXRGIAAOFGTID-CHWSQXEVSA-N 3 2 243.395 0.814 10 0 BCAELP [NH3+]C[C@H]([NH3+])c1cccnc1Br ZINC000044472415 345090644 /nfs/dbraw/zinc/09/06/44/345090644.db2.gz LNTKSFZKLBTATG-LURJTMIESA-N 2 2 216.082 0.803 10 0 BCAELP C[N@H+](C1CCC1)[C@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000221406753 345097548 /nfs/dbraw/zinc/09/75/48/345097548.db2.gz WDAAGDDLRPINJM-ONGXEEELSA-N 2 2 211.309 0.206 10 0 BCAELP C[N@@H+](C1CCC1)[C@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000221406753 345097550 /nfs/dbraw/zinc/09/75/50/345097550.db2.gz WDAAGDDLRPINJM-ONGXEEELSA-N 2 2 211.309 0.206 10 0 BCAELP Nc1[nH+]cccc1CC1=C[C@H](O)C[NH2+]C1 ZINC000675077760 537895553 /nfs/dbraw/zinc/89/55/53/537895553.db2.gz RGDHLIMUWBNRCJ-JTQLQIEISA-N 2 2 205.261 0.097 10 0 BCAELP CC1(C(=O)NC2CC[NH+](CC[NH3+])CC2)CC1 ZINC000309295602 537910932 /nfs/dbraw/zinc/91/09/32/537910932.db2.gz KTBNFIIIAKEYOE-UHFFFAOYSA-N 2 2 225.336 0.326 10 0 BCAELP Cc1ccc2c(c1)=C1CCCC[C@]13C[NH2+]CC[N+]=23 ZINC000575124678 346031744 /nfs/dbraw/zinc/03/17/44/346031744.db2.gz BADBXJBWTOTULX-INIZCTEOSA-N 2 2 241.358 0.566 10 0 BCAELP [NH3+]C[C@@H]1C[NH2+]C[C@H](C[NH+]2CCCCC2)C1 ZINC000669378983 537974997 /nfs/dbraw/zinc/97/49/97/537974997.db2.gz RHBLLMKHJWMGHP-VXGBXAGGSA-N 3 2 211.353 0.657 10 0 BCAELP C[C@H]1C[C@H]([NH2+]CC2CC(O)C2)C[N@H+]1C1CC1 ZINC000229935144 323158166 /nfs/dbraw/zinc/15/81/66/323158166.db2.gz RZDIIZNMEDFFCB-URAGZPLESA-N 2 2 224.348 0.972 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000577396634 365946011 /nfs/dbraw/zinc/94/60/11/365946011.db2.gz WPVUWIWRINECNQ-UWVGGRQHSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000577396634 365946016 /nfs/dbraw/zinc/94/60/16/365946016.db2.gz WPVUWIWRINECNQ-UWVGGRQHSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)C[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669382487 538004273 /nfs/dbraw/zinc/00/42/73/538004273.db2.gz LQEUUDGAVMNTAM-SECBINFHSA-N 2 2 222.279 0.592 10 0 BCAELP Cc1cc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc(N)[nH+]1 ZINC000669385066 538019414 /nfs/dbraw/zinc/01/94/14/538019414.db2.gz WHMRVVYPAUIWCY-NXEZZACHSA-N 3 2 206.293 0.376 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000335320911 180119798 /nfs/dbraw/zinc/11/97/98/180119798.db2.gz JUCVQYVMEVVZPT-PSASIEDQSA-N 2 2 236.319 0.722 10 0 BCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCO ZINC000178752842 180265093 /nfs/dbraw/zinc/26/50/93/180265093.db2.gz RFTVDZLIONSDJU-NSHDSACASA-N 2 2 209.293 0.648 10 0 BCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCO ZINC000178752842 180265097 /nfs/dbraw/zinc/26/50/97/180265097.db2.gz RFTVDZLIONSDJU-NSHDSACASA-N 2 2 209.293 0.648 10 0 BCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCO ZINC000178752854 180268403 /nfs/dbraw/zinc/26/84/03/180268403.db2.gz RFTVDZLIONSDJU-LLVKDONJSA-N 2 2 209.293 0.648 10 0 BCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCO ZINC000178752854 180268405 /nfs/dbraw/zinc/26/84/05/180268405.db2.gz RFTVDZLIONSDJU-LLVKDONJSA-N 2 2 209.293 0.648 10 0 BCAELP OCC[N@@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616597335 350651806 /nfs/dbraw/zinc/65/18/06/350651806.db2.gz DIQZVRKIICDBBR-SNVBAGLBSA-N 2 2 211.265 0.096 10 0 BCAELP OCC[N@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616597335 350651809 /nfs/dbraw/zinc/65/18/09/350651809.db2.gz DIQZVRKIICDBBR-SNVBAGLBSA-N 2 2 211.265 0.096 10 0 BCAELP Nc1cccc([C@H]2COCCC[N@@H+]2CC[NH3+])c1 ZINC000616598432 350670738 /nfs/dbraw/zinc/67/07/38/350670738.db2.gz AOIAOIUNAINAGP-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1cccc([C@H]2COCCC[N@H+]2CC[NH3+])c1 ZINC000616598432 350670741 /nfs/dbraw/zinc/67/07/41/350670741.db2.gz AOIAOIUNAINAGP-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616600235 350779390 /nfs/dbraw/zinc/77/93/90/350779390.db2.gz AQTJVEHCQGKGCD-SNVBAGLBSA-N 3 2 208.309 0.938 10 0 BCAELP NC(=O)c1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000616607449 350800965 /nfs/dbraw/zinc/80/09/65/350800965.db2.gz HTROGXNGQIXUNM-LBPRGKRZSA-N 2 2 233.315 0.881 10 0 BCAELP NC(=O)c1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000616607449 350800966 /nfs/dbraw/zinc/80/09/66/350800966.db2.gz HTROGXNGQIXUNM-LBPRGKRZSA-N 2 2 233.315 0.881 10 0 BCAELP CCn1c[nH+]cc1CN(C)CC[N@H+](C)CCO ZINC000623090283 350858263 /nfs/dbraw/zinc/85/82/63/350858263.db2.gz HDDANXQKDNVGDN-UHFFFAOYSA-N 2 2 240.351 0.259 10 0 BCAELP CCn1c[nH+]cc1CN(C)CC[N@@H+](C)CCO ZINC000623090283 350858265 /nfs/dbraw/zinc/85/82/65/350858265.db2.gz HDDANXQKDNVGDN-UHFFFAOYSA-N 2 2 240.351 0.259 10 0 BCAELP NC(=O)c1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616620127 350933682 /nfs/dbraw/zinc/93/36/82/350933682.db2.gz FSLQDNUFEKSTJN-CYBMUJFWSA-N 2 2 247.342 0.924 10 0 BCAELP NC(=O)c1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616620127 350933684 /nfs/dbraw/zinc/93/36/84/350933684.db2.gz FSLQDNUFEKSTJN-CYBMUJFWSA-N 2 2 247.342 0.924 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616629879 351101688 /nfs/dbraw/zinc/10/16/88/351101688.db2.gz RGPMJCPYNHHPFR-LLVKDONJSA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](n2ccnc2)C1 ZINC000616629879 351101694 /nfs/dbraw/zinc/10/16/94/351101694.db2.gz RGPMJCPYNHHPFR-LLVKDONJSA-N 2 2 208.309 0.869 10 0 BCAELP Nc1ccccc1[C@@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616659061 351206165 /nfs/dbraw/zinc/20/61/65/351206165.db2.gz BRXHWGKOOGTULP-NSHDSACASA-N 2 2 235.331 0.643 10 0 BCAELP Nc1ccccc1[C@@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616659061 351206168 /nfs/dbraw/zinc/20/61/68/351206168.db2.gz BRXHWGKOOGTULP-NSHDSACASA-N 2 2 235.331 0.643 10 0 BCAELP Nc1ccc([C@@H]2COCC[N@H+](CC[NH3+])C2)cc1 ZINC000616660017 351208955 /nfs/dbraw/zinc/20/89/55/351208955.db2.gz JFDCYLZOFRRGHM-LBPRGKRZSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1ccc([C@@H]2COCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616660017 351208956 /nfs/dbraw/zinc/20/89/56/351208956.db2.gz JFDCYLZOFRRGHM-LBPRGKRZSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1ccccc1[C@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616662476 351218459 /nfs/dbraw/zinc/21/84/59/351218459.db2.gz BRXHWGKOOGTULP-LLVKDONJSA-N 2 2 235.331 0.643 10 0 BCAELP Nc1ccccc1[C@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616662476 351218462 /nfs/dbraw/zinc/21/84/62/351218462.db2.gz BRXHWGKOOGTULP-LLVKDONJSA-N 2 2 235.331 0.643 10 0 BCAELP CC(C)(C)[C@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616662584 351218498 /nfs/dbraw/zinc/21/84/98/351218498.db2.gz CNRQVJMDTRGCMQ-SNVBAGLBSA-N 2 2 200.326 0.940 10 0 BCAELP CC(C)(C)[C@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616662584 351218502 /nfs/dbraw/zinc/21/85/02/351218502.db2.gz CNRQVJMDTRGCMQ-SNVBAGLBSA-N 2 2 200.326 0.940 10 0 BCAELP OCC[N@@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616665716 351223336 /nfs/dbraw/zinc/22/33/36/351223336.db2.gz UZEPOAJGZQQKLJ-LBPRGKRZSA-N 2 2 237.303 0.534 10 0 BCAELP OCC[N@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616665716 351223339 /nfs/dbraw/zinc/22/33/39/351223339.db2.gz UZEPOAJGZQQKLJ-LBPRGKRZSA-N 2 2 237.303 0.534 10 0 BCAELP CC(C)CNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000228300320 188254277 /nfs/dbraw/zinc/25/42/77/188254277.db2.gz KWHSUTDNKYNKAF-LBPRGKRZSA-N 2 2 241.379 0.833 10 0 BCAELP CC(C)CNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000228300320 188254279 /nfs/dbraw/zinc/25/42/79/188254279.db2.gz KWHSUTDNKYNKAF-LBPRGKRZSA-N 2 2 241.379 0.833 10 0 BCAELP Cn1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)nn1 ZINC000231462528 353605568 /nfs/dbraw/zinc/60/55/68/353605568.db2.gz WQZZRLQQCUYHFS-LLVKDONJSA-N 2 2 223.324 0.389 10 0 BCAELP Cn1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)nn1 ZINC000231462528 353605571 /nfs/dbraw/zinc/60/55/71/353605571.db2.gz WQZZRLQQCUYHFS-LLVKDONJSA-N 2 2 223.324 0.389 10 0 BCAELP NC(=[NH2+])c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000019840789 181196331 /nfs/dbraw/zinc/19/63/31/181196331.db2.gz JJONKWJVPLBJKT-UHFFFAOYSA-N 2 2 249.314 0.682 10 0 BCAELP [NH2+]=C(NO)c1nccn1-c1cc[nH+]cc1 ZINC000075848193 181200483 /nfs/dbraw/zinc/20/04/83/181200483.db2.gz GQOKQVHOTKFKAP-UHFFFAOYSA-N 2 2 203.205 0.571 10 0 BCAELP CC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000389201080 355849648 /nfs/dbraw/zinc/84/96/48/355849648.db2.gz YTCSUOSOEBHJAZ-CHWSQXEVSA-N 2 2 241.379 0.391 10 0 BCAELP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000389201080 355849651 /nfs/dbraw/zinc/84/96/51/355849651.db2.gz YTCSUOSOEBHJAZ-CHWSQXEVSA-N 2 2 241.379 0.391 10 0 BCAELP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000389201080 355849655 /nfs/dbraw/zinc/84/96/55/355849655.db2.gz YTCSUOSOEBHJAZ-CHWSQXEVSA-N 2 2 241.379 0.391 10 0 BCAELP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000389201080 355849657 /nfs/dbraw/zinc/84/96/57/355849657.db2.gz YTCSUOSOEBHJAZ-CHWSQXEVSA-N 2 2 241.379 0.391 10 0 BCAELP NC(=O)CC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC000043501354 181220336 /nfs/dbraw/zinc/22/03/36/181220336.db2.gz ILIWKNKWMKLPGY-LLVKDONJSA-N 2 2 225.336 0.326 10 0 BCAELP NC(=O)[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000043501184 181268093 /nfs/dbraw/zinc/26/80/93/181268093.db2.gz HVEZOBMKTTZYDF-JTQLQIEISA-N 2 2 211.309 0.078 10 0 BCAELP NC(=O)[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000043501184 181268097 /nfs/dbraw/zinc/26/80/97/181268097.db2.gz HVEZOBMKTTZYDF-JTQLQIEISA-N 2 2 211.309 0.078 10 0 BCAELP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000420378375 192234178 /nfs/dbraw/zinc/23/41/78/192234178.db2.gz QKOZWEIRPUFKBU-CMPLNLGQSA-N 3 2 222.336 0.861 10 0 BCAELP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000420378375 192234180 /nfs/dbraw/zinc/23/41/80/192234180.db2.gz QKOZWEIRPUFKBU-CMPLNLGQSA-N 3 2 222.336 0.861 10 0 BCAELP Cc1[nH+]ccn1CCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000420378375 192234182 /nfs/dbraw/zinc/23/41/82/192234182.db2.gz QKOZWEIRPUFKBU-CMPLNLGQSA-N 2 2 222.336 0.861 10 0 BCAELP NC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCCSC1 ZINC000061590413 181275558 /nfs/dbraw/zinc/27/55/58/181275558.db2.gz FONIPOZHMDMPFJ-LLVKDONJSA-N 2 2 243.376 0.033 10 0 BCAELP NC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCCSC1 ZINC000061590413 181275562 /nfs/dbraw/zinc/27/55/62/181275562.db2.gz FONIPOZHMDMPFJ-LLVKDONJSA-N 2 2 243.376 0.033 10 0 BCAELP COc1nscc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077457 538514400 /nfs/dbraw/zinc/51/44/00/538514400.db2.gz FGWAOUYFPIMQSR-VIFPVBQESA-N 2 2 225.317 0.551 10 0 BCAELP Nc1ncc(Cl)cc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675078009 538515007 /nfs/dbraw/zinc/51/50/07/538515007.db2.gz LWHXUKNKXCPESR-QMMMGPOBSA-N 2 2 224.695 0.631 10 0 BCAELP Nc1cc(CC2=C[C@H](O)C[NH2+]C2)cc[nH+]1 ZINC000675078327 538515054 /nfs/dbraw/zinc/51/50/54/538515054.db2.gz XNRYTYILILTYKL-JTQLQIEISA-N 2 2 205.261 0.097 10 0 BCAELP Cc1c(CC2=C[C@@H]([NH3+])C[NH2+]C2)cnn1C ZINC000675078768 538516326 /nfs/dbraw/zinc/51/63/26/538516326.db2.gz SHUMYYCVUOGCBE-LLVKDONJSA-N 2 2 206.293 0.128 10 0 BCAELP CCCn1cc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1 ZINC000675077362 538512819 /nfs/dbraw/zinc/51/28/19/538512819.db2.gz CZCYGMHJJGMRCW-NSHDSACASA-N 2 2 206.293 0.607 10 0 BCAELP C[NH2+][C@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626557 538557607 /nfs/dbraw/zinc/55/76/07/538557607.db2.gz JTIRLNZGVYIUCN-PSASIEDQSA-N 2 2 208.265 0.052 10 0 BCAELP CC(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321446939 538870872 /nfs/dbraw/zinc/87/08/72/538870872.db2.gz ZIHXIGNEKNMTJO-UHFFFAOYSA-N 2 2 213.325 0.182 10 0 BCAELP C[C@@H]1C(=O)NCCC[N@H+]1CCn1cc[nH+]c1 ZINC000189345780 357633361 /nfs/dbraw/zinc/63/33/61/357633361.db2.gz BRBSGNMXRNUUJT-SNVBAGLBSA-N 2 2 222.292 0.094 10 0 BCAELP C[C@@H]1C(=O)NCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000189345780 357633363 /nfs/dbraw/zinc/63/33/63/357633363.db2.gz BRBSGNMXRNUUJT-SNVBAGLBSA-N 2 2 222.292 0.094 10 0 BCAELP C[C@@H]1C[C@H](O)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000639939622 357952319 /nfs/dbraw/zinc/95/23/19/357952319.db2.gz IKFQHEKIVCOPRR-GHMZBOCLSA-N 2 2 209.293 0.728 10 0 BCAELP C[C@@H]1C[C@H](O)CC[N@H+]1CCn1cc[nH+]c1 ZINC000639939622 357952320 /nfs/dbraw/zinc/95/23/20/357952320.db2.gz IKFQHEKIVCOPRR-GHMZBOCLSA-N 2 2 209.293 0.728 10 0 BCAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226235288 358336705 /nfs/dbraw/zinc/33/67/05/358336705.db2.gz UXBMLHRPXLKZFU-HBNTYKKESA-N 2 2 200.326 0.830 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000227890127 358365260 /nfs/dbraw/zinc/36/52/60/358365260.db2.gz AIGCDYJEJIHWIQ-LBPRGKRZSA-N 2 2 241.335 0.650 10 0 BCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCOC1=O ZINC000247042789 359190255 /nfs/dbraw/zinc/19/02/55/359190255.db2.gz NBZHOLKELWYLKS-NEPJUHHUSA-N 2 2 249.314 0.971 10 0 BCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCOC1=O ZINC000247042789 359190261 /nfs/dbraw/zinc/19/02/61/359190261.db2.gz NBZHOLKELWYLKS-NEPJUHHUSA-N 2 2 249.314 0.971 10 0 BCAELP C[N@H+](CC[C@@](C)([NH3+])C(N)=O)Cc1ccccc1 ZINC000306523758 360360424 /nfs/dbraw/zinc/36/04/24/360360424.db2.gz UXQDETIODPNHKD-CYBMUJFWSA-N 2 2 235.331 0.711 10 0 BCAELP C[N@@H+](CC[C@@](C)([NH3+])C(N)=O)Cc1ccccc1 ZINC000306523758 360360430 /nfs/dbraw/zinc/36/04/30/360360430.db2.gz UXQDETIODPNHKD-CYBMUJFWSA-N 2 2 235.331 0.711 10 0 BCAELP C[C@H]1CCSCC[N@@H+]1[C@@H](C[NH3+])CO ZINC000306636897 361452833 /nfs/dbraw/zinc/45/28/33/361452833.db2.gz MAQUOQWIJQFKPF-IUCAKERBSA-N 2 2 204.339 0.133 10 0 BCAELP C[C@H]1CCSCC[N@H+]1[C@@H](C[NH3+])CO ZINC000306636897 361452837 /nfs/dbraw/zinc/45/28/37/361452837.db2.gz MAQUOQWIJQFKPF-IUCAKERBSA-N 2 2 204.339 0.133 10 0 BCAELP CO[C@H]1CN(Cc2c[nH+]cn2C)[C@](C)(C[NH3+])C1 ZINC000630359180 364076012 /nfs/dbraw/zinc/07/60/12/364076012.db2.gz BZFVYSSBTGKBRB-NEPJUHHUSA-N 2 2 238.335 0.358 10 0 BCAELP CO[C@@H]1C[N@H+](CCn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000630362267 364082178 /nfs/dbraw/zinc/08/21/78/364082178.db2.gz KXJKWMPKFCHCOC-NWDGAFQWSA-N 2 2 238.335 0.321 10 0 BCAELP CO[C@@H]1C[N@@H+](CCn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000630362267 364082180 /nfs/dbraw/zinc/08/21/80/364082180.db2.gz KXJKWMPKFCHCOC-NWDGAFQWSA-N 2 2 238.335 0.321 10 0 BCAELP COc1ccc[nH+]c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000630514108 364198837 /nfs/dbraw/zinc/19/88/37/364198837.db2.gz VDEKPCMKGBSPJE-DTWKUNHWSA-N 2 2 223.276 0.082 10 0 BCAELP C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000630576265 364275104 /nfs/dbraw/zinc/27/51/04/364275104.db2.gz XWTNLJBYVKZSAK-DTWKUNHWSA-N 2 2 246.318 0.394 10 0 BCAELP Cc1nc(N2C[C@@H](C)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000630552385 364246691 /nfs/dbraw/zinc/24/66/91/364246691.db2.gz FAIUQBZKGXAFEQ-SCZZXKLOSA-N 2 2 206.293 0.816 10 0 BCAELP Cc1c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cnn1C ZINC000398955995 364278650 /nfs/dbraw/zinc/27/86/50/364278650.db2.gz IEWIYHHZEUEJKX-BXKDBHETSA-N 2 2 222.336 0.959 10 0 BCAELP [NH3+]CC[N@H+](C1CCCC1)[C@@H]1CCCCNC1=O ZINC000070975464 181390854 /nfs/dbraw/zinc/39/08/54/181390854.db2.gz ALOGIILICPQKKU-GFCCVEGCSA-N 2 2 239.363 0.858 10 0 BCAELP [NH3+]CC[N@@H+](C1CCCC1)[C@@H]1CCCCNC1=O ZINC000070975464 181390856 /nfs/dbraw/zinc/39/08/56/181390856.db2.gz ALOGIILICPQKKU-GFCCVEGCSA-N 2 2 239.363 0.858 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000379848013 365316778 /nfs/dbraw/zinc/31/67/78/365316778.db2.gz DESKLBZSPIDOGD-GARJFASQSA-N 2 2 235.335 0.467 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000379848013 365316785 /nfs/dbraw/zinc/31/67/85/365316785.db2.gz DESKLBZSPIDOGD-GARJFASQSA-N 2 2 235.335 0.467 10 0 BCAELP C[N@@H+]1CCN(c2ncnc3[nH]ccc32)[C@H](C[NH3+])C1 ZINC000575734969 365346347 /nfs/dbraw/zinc/34/63/47/365346347.db2.gz BGVDPEUCYVUDQG-SECBINFHSA-N 2 2 246.318 0.037 10 0 BCAELP C[N@H+]1CCN(c2ncnc3[nH]ccc32)[C@H](C[NH3+])C1 ZINC000575734969 365346348 /nfs/dbraw/zinc/34/63/48/365346348.db2.gz BGVDPEUCYVUDQG-SECBINFHSA-N 2 2 246.318 0.037 10 0 BCAELP CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc[nH+]cc2C)C1 ZINC000382309470 367506536 /nfs/dbraw/zinc/50/65/36/367506536.db2.gz GZWAXFMNRIATEZ-MWLCHTKSSA-N 2 2 235.287 0.127 10 0 BCAELP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000383747785 367651480 /nfs/dbraw/zinc/65/14/80/367651480.db2.gz DIVQHAMZLPTZDP-NEPJUHHUSA-N 2 2 243.395 0.229 10 0 BCAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000383747785 367651484 /nfs/dbraw/zinc/65/14/84/367651484.db2.gz DIVQHAMZLPTZDP-NEPJUHHUSA-N 2 2 243.395 0.229 10 0 BCAELP Cc1cnc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000386665960 368007234 /nfs/dbraw/zinc/00/72/34/368007234.db2.gz NDRAYMIOMCHIKB-NSHDSACASA-N 2 2 235.335 0.173 10 0 BCAELP Cc1cnc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000386665960 368007242 /nfs/dbraw/zinc/00/72/42/368007242.db2.gz NDRAYMIOMCHIKB-NSHDSACASA-N 2 2 235.335 0.173 10 0 BCAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000111263859 368852807 /nfs/dbraw/zinc/85/28/07/368852807.db2.gz QOORAZHVWTWOAE-GHMZBOCLSA-N 2 2 236.319 0.245 10 0 BCAELP OC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C[NH2+]1 ZINC000115595770 369002699 /nfs/dbraw/zinc/00/26/99/369002699.db2.gz CMBBPOVAYOJIOG-NEPJUHHUSA-N 2 2 206.289 0.499 10 0 BCAELP C[C@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000631841755 372638562 /nfs/dbraw/zinc/63/85/62/372638562.db2.gz PGHZMSXDDCVPMR-IUCAKERBSA-N 2 2 236.323 0.035 10 0 BCAELP C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000631841755 372638570 /nfs/dbraw/zinc/63/85/70/372638570.db2.gz PGHZMSXDDCVPMR-IUCAKERBSA-N 2 2 236.323 0.035 10 0 BCAELP O=C(C[C@@H]1CCCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000042542807 182016060 /nfs/dbraw/zinc/01/60/60/182016060.db2.gz DKOSCELPUVVTSW-NSHDSACASA-N 2 2 236.319 0.532 10 0 BCAELP CCCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054243785 169217444 /nfs/dbraw/zinc/21/74/44/169217444.db2.gz UMDGAGPRRWLMTB-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054243785 169217445 /nfs/dbraw/zinc/21/74/45/169217445.db2.gz UMDGAGPRRWLMTB-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH2+]CC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254655 169255972 /nfs/dbraw/zinc/25/59/72/169255972.db2.gz SZFOCBKMILZTIM-UHFFFAOYSA-N 2 2 222.292 0.225 10 0 BCAELP CCC[NH2+]C[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188671 169262467 /nfs/dbraw/zinc/26/24/67/169262467.db2.gz DNYXIQPZWWHFQI-CHWSQXEVSA-N 3 2 243.395 0.230 10 0 BCAELP CCC[NH2+]C[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188671 169262468 /nfs/dbraw/zinc/26/24/68/169262468.db2.gz DNYXIQPZWWHFQI-CHWSQXEVSA-N 3 2 243.395 0.230 10 0 BCAELP CCC[NH2+]C[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188671 169262469 /nfs/dbraw/zinc/26/24/69/169262469.db2.gz DNYXIQPZWWHFQI-CHWSQXEVSA-N 3 2 243.395 0.230 10 0 BCAELP CCC[NH2+]C[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188671 169262471 /nfs/dbraw/zinc/26/24/71/169262471.db2.gz DNYXIQPZWWHFQI-CHWSQXEVSA-N 3 2 243.395 0.230 10 0 BCAELP Cn1c[nH+]cc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166892 384031405 /nfs/dbraw/zinc/03/14/05/384031405.db2.gz UIRUZPCIRDZFOC-CABZTGNLSA-N 2 2 234.303 0.573 10 0 BCAELP Nc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000116366052 384130879 /nfs/dbraw/zinc/13/08/79/384130879.db2.gz VTVXDLZJUJQCPO-UHFFFAOYSA-N 2 2 218.264 0.333 10 0 BCAELP COc1nccnc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000095071634 384341121 /nfs/dbraw/zinc/34/11/21/384341121.db2.gz MXUKPGFFXAXRFQ-JTQLQIEISA-N 2 2 236.319 0.574 10 0 BCAELP CSc1nccnc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000095071939 384341599 /nfs/dbraw/zinc/34/15/99/384341599.db2.gz GKIMCLVBXMWMNZ-VIFPVBQESA-N 2 2 238.360 0.898 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072726 384345003 /nfs/dbraw/zinc/34/50/03/384345003.db2.gz XFPHYCZFTWHCCE-MRVPVSSYSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072726 384345007 /nfs/dbraw/zinc/34/50/07/384345007.db2.gz XFPHYCZFTWHCCE-MRVPVSSYSA-N 2 2 226.711 0.911 10 0 BCAELP O=C(C[NH2+]C[C@H]1CC[NH2+]C1)c1ccc[nH]1 ZINC000095072804 384346020 /nfs/dbraw/zinc/34/60/20/384346020.db2.gz KNLDJLNGMMISCD-VIFPVBQESA-N 2 2 207.277 0.397 10 0 BCAELP C[C@]([NH3+])(CC[NH3+])C(=O)OCc1ccccc1 ZINC000095930141 384411214 /nfs/dbraw/zinc/41/12/14/384411214.db2.gz VEOUUCJPDQMOTR-LBPRGKRZSA-N 2 2 222.288 0.796 10 0 BCAELP Cc1nc(N2CC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000302605383 384384292 /nfs/dbraw/zinc/38/42/92/384384292.db2.gz JUVOUFQCQHCJHG-VIFPVBQESA-N 2 2 234.307 0.047 10 0 BCAELP Cc1nc(N2CC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000302605383 384384295 /nfs/dbraw/zinc/38/42/95/384384295.db2.gz JUVOUFQCQHCJHG-VIFPVBQESA-N 2 2 234.307 0.047 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325665 384751604 /nfs/dbraw/zinc/75/16/04/384751604.db2.gz FDNMYSUQXVVNIC-XHNCKOQMSA-N 2 2 200.282 0.075 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325665 384751610 /nfs/dbraw/zinc/75/16/10/384751610.db2.gz FDNMYSUQXVVNIC-XHNCKOQMSA-N 2 2 200.282 0.075 10 0 BCAELP CC(=O)N1CC[NH+]([C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000086409805 385015160 /nfs/dbraw/zinc/01/51/60/385015160.db2.gz QZBDIOHJJKOYKZ-MNOVXSKESA-N 2 2 211.309 0.030 10 0 BCAELP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCSC1 ZINC000043802197 385047648 /nfs/dbraw/zinc/04/76/48/385047648.db2.gz YLEZZEGXKCKGNP-NXEZZACHSA-N 2 2 216.350 0.412 10 0 BCAELP CC[S@](=O)CC[NH+]1CCC([NH3+])CC1 ZINC000058827256 385029444 /nfs/dbraw/zinc/02/94/44/385029444.db2.gz ZVMZEUJUVXSUQO-CYBMUJFWSA-N 2 2 204.339 0.178 10 0 BCAELP CCN1C(=O)C[C@@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000328579659 385491259 /nfs/dbraw/zinc/49/12/59/385491259.db2.gz VEDFDPMMBYZEAR-WPRPVWTQSA-N 2 2 222.292 0.288 10 0 BCAELP C[C@H]([NH3+])C[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000211278727 385677944 /nfs/dbraw/zinc/67/79/44/385677944.db2.gz OIFHBCFJMGXTFY-ONGXEEELSA-N 2 2 222.288 0.794 10 0 BCAELP C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000062910606 386531525 /nfs/dbraw/zinc/53/15/25/386531525.db2.gz GBMPFCOTDREEMZ-LBPRGKRZSA-N 2 2 234.303 0.225 10 0 BCAELP CC(C)n1cc[nH+]c1CN(C)C[C@@H](O)C[NH3+] ZINC000519757104 386547391 /nfs/dbraw/zinc/54/73/91/386547391.db2.gz GYRYJXABIWUZLW-JTQLQIEISA-N 2 2 226.324 0.215 10 0 BCAELP C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCC[NH2+]1 ZINC000136206998 386571529 /nfs/dbraw/zinc/57/15/29/386571529.db2.gz PQVZXVZGGQYQAF-ZDUSSCGKSA-N 2 2 248.330 0.758 10 0 BCAELP C[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCCC[NH2+]1 ZINC000127532395 387106659 /nfs/dbraw/zinc/10/66/59/387106659.db2.gz AUHJASQLOMGWKO-NSHDSACASA-N 2 2 222.292 0.558 10 0 BCAELP C[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCCC[NH2+]1 ZINC000127532395 387106670 /nfs/dbraw/zinc/10/66/70/387106670.db2.gz AUHJASQLOMGWKO-NSHDSACASA-N 2 2 222.292 0.558 10 0 BCAELP C[C@H](O)[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000575493286 387271101 /nfs/dbraw/zinc/27/11/01/387271101.db2.gz IGQFEZOLASQSLK-WCQYABFASA-N 2 2 220.316 0.971 10 0 BCAELP C[C@H](O)[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000575493286 387271104 /nfs/dbraw/zinc/27/11/04/387271104.db2.gz IGQFEZOLASQSLK-WCQYABFASA-N 2 2 220.316 0.971 10 0 BCAELP C([C@H]1C[NH2+]CCS1)[NH+]1CCSCC1 ZINC000575522749 387443763 /nfs/dbraw/zinc/44/37/63/387443763.db2.gz GHYJWQXEIVPYFE-SECBINFHSA-N 2 2 218.391 0.740 10 0 BCAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(N)=O)C2)[nH+]1 ZINC000195516140 387921249 /nfs/dbraw/zinc/92/12/49/387921249.db2.gz SLCDKFYCAUIHIU-NSHDSACASA-N 2 2 248.330 0.609 10 0 BCAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(N)=O)C2)[nH+]1 ZINC000195516140 387921258 /nfs/dbraw/zinc/92/12/58/387921258.db2.gz SLCDKFYCAUIHIU-NSHDSACASA-N 2 2 248.330 0.609 10 0 BCAELP [NH3+][C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000085012001 388082709 /nfs/dbraw/zinc/08/27/09/388082709.db2.gz ZAQNCFYKYCNTDL-UWVGGRQHSA-N 2 2 222.292 0.127 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013079 388082844 /nfs/dbraw/zinc/08/28/44/388082844.db2.gz KLEVYSYAAVYGNF-BDAKNGLRSA-N 2 2 222.292 0.164 10 0 BCAELP Cc1nc(N2C[C@@H](C)[NH2+]C[C@H]2C)cc[nH+]1 ZINC000250836664 132303272 /nfs/dbraw/zinc/30/32/72/132303272.db2.gz MVTRCBQXQPDSMT-RKDXNWHRSA-N 2 2 206.293 0.972 10 0 BCAELP C[C@H](C[NH3+])C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000037039507 132343321 /nfs/dbraw/zinc/34/33/21/132343321.db2.gz QKFREADXOPDWHL-GFCCVEGCSA-N 3 2 234.347 0.798 10 0 BCAELP [NH3+]Cc1cc(N2CCCC[C@@H]2CO)cc[nH+]1 ZINC000060382310 132368716 /nfs/dbraw/zinc/36/87/16/132368716.db2.gz LNPUDYDPSWKKTG-GFCCVEGCSA-N 2 2 221.304 0.892 10 0 BCAELP [NH3+]Cc1cc(N2CCC[C@@H](CO)C2)cc[nH+]1 ZINC000060382283 132368774 /nfs/dbraw/zinc/36/87/74/132368774.db2.gz ZAAVQMIWQXOZMS-SNVBAGLBSA-N 2 2 221.304 0.749 10 0 BCAELP c1cn2c(cccc2N2CC[NH2+]CC2)[nH+]1 ZINC000036220537 132444866 /nfs/dbraw/zinc/44/48/66/132444866.db2.gz FKRXTDSFOMPWTB-UHFFFAOYSA-N 2 2 202.261 0.744 10 0 BCAELP Cc1nc(N2CC[C@@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC000257759209 135141406 /nfs/dbraw/zinc/14/14/06/135141406.db2.gz XKTLVGMDPVHMBQ-GFCCVEGCSA-N 2 2 218.304 0.975 10 0 BCAELP Cc1nc(N2CC[C@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC000257759210 135141425 /nfs/dbraw/zinc/14/14/25/135141425.db2.gz XKTLVGMDPVHMBQ-LBPRGKRZSA-N 2 2 218.304 0.975 10 0 BCAELP Cc1cnn(CC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261531966 135161707 /nfs/dbraw/zinc/16/17/07/135161707.db2.gz INLKACOPJAKYSU-WDEREUQCSA-N 2 2 208.309 0.471 10 0 BCAELP Cc1cnn(CC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000261531966 135161708 /nfs/dbraw/zinc/16/17/08/135161708.db2.gz INLKACOPJAKYSU-WDEREUQCSA-N 2 2 208.309 0.471 10 0 BCAELP CC1(C)C[N@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000261544658 135185925 /nfs/dbraw/zinc/18/59/25/135185925.db2.gz FDGWIESCBXSRTL-LLVKDONJSA-N 2 2 239.363 0.572 10 0 BCAELP CC1(C)C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1[NH3+] ZINC000261544658 135185926 /nfs/dbraw/zinc/18/59/26/135185926.db2.gz FDGWIESCBXSRTL-LLVKDONJSA-N 2 2 239.363 0.572 10 0 BCAELP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549008 135187744 /nfs/dbraw/zinc/18/77/44/135187744.db2.gz KCWUAZKQLNJFHR-GXSJLCMTSA-N 2 2 239.363 0.713 10 0 BCAELP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549008 135187745 /nfs/dbraw/zinc/18/77/45/135187745.db2.gz KCWUAZKQLNJFHR-GXSJLCMTSA-N 2 2 239.363 0.713 10 0 BCAELP OC[C@@]1(F)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261551114 135189886 /nfs/dbraw/zinc/18/98/86/135189886.db2.gz QCWMXJSFCDXVQP-GHMZBOCLSA-N 2 2 216.300 0.392 10 0 BCAELP OC[C@@]1(F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261551114 135189888 /nfs/dbraw/zinc/18/98/88/135189888.db2.gz QCWMXJSFCDXVQP-GHMZBOCLSA-N 2 2 216.300 0.392 10 0 BCAELP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261550934 135190070 /nfs/dbraw/zinc/19/00/70/135190070.db2.gz LPDAONJGWBZTDJ-WDEREUQCSA-N 2 2 241.379 0.960 10 0 BCAELP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261550934 135190071 /nfs/dbraw/zinc/19/00/71/135190071.db2.gz LPDAONJGWBZTDJ-WDEREUQCSA-N 2 2 241.379 0.960 10 0 BCAELP O=C(CC[C@H]1CCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC000261555277 135195225 /nfs/dbraw/zinc/19/52/25/135195225.db2.gz PRYCNAPQULPCSI-SNVBAGLBSA-N 2 2 236.319 0.601 10 0 BCAELP CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000261556184 135196445 /nfs/dbraw/zinc/19/64/45/135196445.db2.gz QMWVJOPVSYFGAH-WDEREUQCSA-N 2 2 237.347 0.149 10 0 BCAELP CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000261556184 135196447 /nfs/dbraw/zinc/19/64/47/135196447.db2.gz QMWVJOPVSYFGAH-WDEREUQCSA-N 2 2 237.347 0.149 10 0 BCAELP Cn1cncc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261561789 135202836 /nfs/dbraw/zinc/20/28/36/135202836.db2.gz AVFJHDQMKKAHRE-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP Cn1cncc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261561789 135202837 /nfs/dbraw/zinc/20/28/37/135202837.db2.gz AVFJHDQMKKAHRE-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP Cn1c[nH+]cc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261561789 135202838 /nfs/dbraw/zinc/20/28/38/135202838.db2.gz AVFJHDQMKKAHRE-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000261562064 135203874 /nfs/dbraw/zinc/20/38/74/135203874.db2.gz VZHSIHWXEWWYME-AAEUAGOBSA-N 2 2 234.347 0.912 10 0 BCAELP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000261562064 135203875 /nfs/dbraw/zinc/20/38/75/135203875.db2.gz VZHSIHWXEWWYME-AAEUAGOBSA-N 2 2 234.347 0.912 10 0 BCAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000261573854 135216064 /nfs/dbraw/zinc/21/60/64/135216064.db2.gz JAYCSAHPLPAKKA-NXEZZACHSA-N 2 2 209.297 0.262 10 0 BCAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000261573854 135216065 /nfs/dbraw/zinc/21/60/65/135216065.db2.gz JAYCSAHPLPAKKA-NXEZZACHSA-N 2 2 209.297 0.262 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261582334 135223427 /nfs/dbraw/zinc/22/34/27/135223427.db2.gz OEXSQRKEZUDSFQ-NAKRPEOUSA-N 2 2 226.320 0.607 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261582334 135223429 /nfs/dbraw/zinc/22/34/29/135223429.db2.gz OEXSQRKEZUDSFQ-NAKRPEOUSA-N 2 2 226.320 0.607 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cocn3)C[C@@H]12 ZINC000261592815 135233379 /nfs/dbraw/zinc/23/33/79/135233379.db2.gz WDWOIMVYPQWKNL-FBIMIBRVSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cocn3)C[C@@H]12 ZINC000261592815 135233381 /nfs/dbraw/zinc/23/33/81/135233381.db2.gz WDWOIMVYPQWKNL-FBIMIBRVSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccon3)C[C@H]12 ZINC000261598090 135237252 /nfs/dbraw/zinc/23/72/52/135237252.db2.gz ZKRLMILRFPJGBV-DVVUODLYSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccon3)C[C@H]12 ZINC000261598090 135237253 /nfs/dbraw/zinc/23/72/53/135237253.db2.gz ZKRLMILRFPJGBV-DVVUODLYSA-N 2 2 207.277 0.844 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000262043094 135275902 /nfs/dbraw/zinc/27/59/02/135275902.db2.gz YPPYIQCWGOVHOB-OLZOCXBDSA-N 2 2 239.363 0.002 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000262043094 135275904 /nfs/dbraw/zinc/27/59/04/135275904.db2.gz YPPYIQCWGOVHOB-OLZOCXBDSA-N 2 2 239.363 0.002 10 0 BCAELP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)nc1 ZINC000262124329 135280819 /nfs/dbraw/zinc/28/08/19/135280819.db2.gz NMJIANORSJWXMV-LBPRGKRZSA-N 2 2 205.305 0.884 10 0 BCAELP C[C@@H](C[NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000262479154 135301825 /nfs/dbraw/zinc/30/18/25/135301825.db2.gz ZFNSFSNVEHJNTH-VIFPVBQESA-N 2 2 236.319 0.430 10 0 BCAELP C[C@H](C[NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000262479153 135302040 /nfs/dbraw/zinc/30/20/40/135302040.db2.gz ZFNSFSNVEHJNTH-SECBINFHSA-N 2 2 236.319 0.430 10 0 BCAELP [NH3+]CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000262737663 135316674 /nfs/dbraw/zinc/31/66/74/135316674.db2.gz CGKPIZKBKSXVHN-UHFFFAOYSA-N 2 2 208.309 0.554 10 0 BCAELP Cn1nccc1C1CC[NH+](CC[NH3+])CC1 ZINC000263070064 135330784 /nfs/dbraw/zinc/33/07/84/135330784.db2.gz WKHGDHBAZSDVGJ-UHFFFAOYSA-N 2 2 208.309 0.558 10 0 BCAELP CC(C)n1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263168212 135336919 /nfs/dbraw/zinc/33/69/19/135336919.db2.gz FKSFTOGILZWBRO-CMPLNLGQSA-N 2 2 238.335 0.134 10 0 BCAELP COC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151102968 397734576 /nfs/dbraw/zinc/73/45/76/397734576.db2.gz UIMPKDAFIQABJC-NSHDSACASA-N 2 2 249.314 0.988 10 0 BCAELP COC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151102968 397734580 /nfs/dbraw/zinc/73/45/80/397734580.db2.gz UIMPKDAFIQABJC-NSHDSACASA-N 2 2 249.314 0.988 10 0 BCAELP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000384444905 398089579 /nfs/dbraw/zinc/08/95/79/398089579.db2.gz ZYOZNGLCZYDFOH-NXEZZACHSA-N 2 2 236.319 0.756 10 0 BCAELP C[NH2+]C[C@@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000052481755 173364226 /nfs/dbraw/zinc/36/42/26/173364226.db2.gz QUVHBUBKCBBZAS-SNVBAGLBSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000052481755 173364227 /nfs/dbraw/zinc/36/42/27/173364227.db2.gz QUVHBUBKCBBZAS-SNVBAGLBSA-N 2 2 200.326 0.953 10 0 BCAELP CC(C)[NH2+]C[C@H](O)COc1cc[nH+]cc1 ZINC000095560249 167114860 /nfs/dbraw/zinc/11/48/60/167114860.db2.gz DUGVYNWQMLQORK-JTQLQIEISA-N 2 2 210.277 0.819 10 0 BCAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567590 167268863 /nfs/dbraw/zinc/26/88/63/167268863.db2.gz HRMLDKKMDHXLBH-JHJVBQTASA-N 2 2 242.363 0.599 10 0 BCAELP CC(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567590 167268861 /nfs/dbraw/zinc/26/88/61/167268861.db2.gz HRMLDKKMDHXLBH-JHJVBQTASA-N 2 2 242.363 0.599 10 0 BCAELP c1ccc2[nH+]c(NC[C@@H]3COCC[NH2+]3)[nH]c2c1 ZINC000232450882 487595242 /nfs/dbraw/zinc/59/52/42/487595242.db2.gz NTYDTFXMVAMAGR-SECBINFHSA-N 2 2 232.287 0.963 10 0 BCAELP CC(C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301632 167080122 /nfs/dbraw/zinc/08/01/22/167080122.db2.gz KMPSBHZOIWMWBY-SNVBAGLBSA-N 2 2 227.352 0.583 10 0 BCAELP CC(C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC000036301632 167080119 /nfs/dbraw/zinc/08/01/19/167080119.db2.gz KMPSBHZOIWMWBY-SNVBAGLBSA-N 2 2 227.352 0.583 10 0 BCAELP CCC[C@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645741 411271823 /nfs/dbraw/zinc/27/18/23/411271823.db2.gz JJANNDRIWPTNLO-QMMMGPOBSA-N 2 2 210.281 0.496 10 0 BCAELP Nc1n[nH]cc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616620750 411287706 /nfs/dbraw/zinc/28/77/06/411287706.db2.gz LDLFSPZTMQTJGR-QMMMGPOBSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1n[nH]cc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616620750 411287708 /nfs/dbraw/zinc/28/77/08/411287708.db2.gz LDLFSPZTMQTJGR-QMMMGPOBSA-N 2 2 209.297 0.130 10 0 BCAELP C[NH+](C)[C@H]1CCN(Cc2cc[nH+]c(N)c2)C1 ZINC000062969402 411335122 /nfs/dbraw/zinc/33/51/22/411335122.db2.gz IMMRZWRHRPULQD-NSHDSACASA-N 2 2 220.320 0.800 10 0 BCAELP CCC(=O)N1CC[NH+](C[C@H](C)C[NH3+])CC1 ZINC000037038556 168221446 /nfs/dbraw/zinc/22/14/46/168221446.db2.gz KBEYLXZOHZTEPY-SNVBAGLBSA-N 2 2 213.325 0.135 10 0 BCAELP CC[N@@H+]1CC[C@H](NCc2c[nH+]c(C)n2C)C1 ZINC000657495893 411535059 /nfs/dbraw/zinc/53/50/59/411535059.db2.gz KRGUFKVYLBJFJK-NSHDSACASA-N 2 2 222.336 0.912 10 0 BCAELP CC[N@H+]1CC[C@H](NCc2c[nH+]c(C)n2C)C1 ZINC000657495893 411535061 /nfs/dbraw/zinc/53/50/61/411535061.db2.gz KRGUFKVYLBJFJK-NSHDSACASA-N 2 2 222.336 0.912 10 0 BCAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336768889 170038645 /nfs/dbraw/zinc/03/86/45/170038645.db2.gz UOPOMGXNJJWDLX-LPEHRKFASA-N 2 2 213.325 0.180 10 0 BCAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336768889 170038646 /nfs/dbraw/zinc/03/86/46/170038646.db2.gz UOPOMGXNJJWDLX-LPEHRKFASA-N 2 2 213.325 0.180 10 0 BCAELP CCNC(=O)CC[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000051759203 170053193 /nfs/dbraw/zinc/05/31/93/170053193.db2.gz HBAMIEWSOLJAJC-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CC[NH2+]C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000038062674 170108789 /nfs/dbraw/zinc/10/87/89/170108789.db2.gz BMQJVSKYWQCNAG-LBPRGKRZSA-N 2 2 228.336 0.476 10 0 BCAELP CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]CC)C1 ZINC000104427874 170122596 /nfs/dbraw/zinc/12/25/96/170122596.db2.gz CLKQNWINLCYSCP-NWDGAFQWSA-N 2 2 241.379 0.833 10 0 BCAELP CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]CC)C1 ZINC000104427874 170122597 /nfs/dbraw/zinc/12/25/97/170122597.db2.gz CLKQNWINLCYSCP-NWDGAFQWSA-N 2 2 241.379 0.833 10 0 BCAELP CCOC(=O)[C@@H]([NH3+])CCn1cc[nH+]c1C ZINC000062535173 170252990 /nfs/dbraw/zinc/25/29/90/170252990.db2.gz YFPGNXZWEXGNFY-VIFPVBQESA-N 2 2 211.265 0.472 10 0 BCAELP CCOCCC[N@H+]1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000071519823 170376599 /nfs/dbraw/zinc/37/65/99/170376599.db2.gz PVRFZHGKWFPWIT-WDEREUQCSA-N 2 2 216.325 0.461 10 0 BCAELP CCOCCC[N@@H+]1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000071519823 170376600 /nfs/dbraw/zinc/37/66/00/170376600.db2.gz PVRFZHGKWFPWIT-WDEREUQCSA-N 2 2 216.325 0.461 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C[N@@H+]1C1CC1 ZINC000657813144 411604318 /nfs/dbraw/zinc/60/43/18/411604318.db2.gz RGRYAMOYZRPHGJ-HBIQZDMRSA-N 2 2 224.348 0.972 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C[N@H+]1C1CC1 ZINC000657813144 411604319 /nfs/dbraw/zinc/60/43/19/411604319.db2.gz RGRYAMOYZRPHGJ-HBIQZDMRSA-N 2 2 224.348 0.972 10 0 BCAELP O[C@@H]1C[NH2+]C[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000420255886 411695242 /nfs/dbraw/zinc/69/52/42/411695242.db2.gz TZRFBYDYCFXAKF-DGCLKSJQSA-N 2 2 243.310 1.227 10 0 BCAELP CC(=O)N1CC[NH2+]C[C@H]1c1cc[nH+]c(N)c1 ZINC000616639400 411855204 /nfs/dbraw/zinc/85/52/04/411855204.db2.gz VPNGPFMDIQTQEI-JTQLQIEISA-N 2 2 220.276 0.157 10 0 BCAELP CC(=O)N1CC[NH2+]C[C@@H]1c1cc[nH+]c(N)c1 ZINC000616640076 411855355 /nfs/dbraw/zinc/85/53/55/411855355.db2.gz VPNGPFMDIQTQEI-SNVBAGLBSA-N 2 2 220.276 0.157 10 0 BCAELP FC1(F)C[C@H]1OCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000662266362 412058952 /nfs/dbraw/zinc/05/89/52/412058952.db2.gz WTJIJOBMMRYPKJ-HTQZYQBOSA-N 2 2 206.236 0.362 10 0 BCAELP FC1(F)C[C@@H]1OCC[NH2+][C@H]1CC[NH2+]C1 ZINC000662266365 412059087 /nfs/dbraw/zinc/05/90/87/412059087.db2.gz WTJIJOBMMRYPKJ-YUMQZZPRSA-N 2 2 206.236 0.362 10 0 BCAELP CCn1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nn1 ZINC000665245902 412190845 /nfs/dbraw/zinc/19/08/45/412190845.db2.gz UNDKYUYHQOWSSI-GHMZBOCLSA-N 2 2 237.351 0.776 10 0 BCAELP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)c2ccccc21 ZINC000665228898 412165682 /nfs/dbraw/zinc/16/56/82/412165682.db2.gz KFMJROIAFGJNQK-IJLUTSLNSA-N 2 2 231.299 0.609 10 0 BCAELP C[NH2+]CCOCCNc1cc[nH+]c(C)n1 ZINC000630531456 412292049 /nfs/dbraw/zinc/29/20/49/412292049.db2.gz WZSZVPBAPSTCHF-UHFFFAOYSA-N 2 2 210.281 0.433 10 0 BCAELP CCn1cc[nH+]c1-n1ccnc1CC[NH3+] ZINC000052304626 172214084 /nfs/dbraw/zinc/21/40/84/172214084.db2.gz ZSPKCIMRYIMKRZ-UHFFFAOYSA-N 2 2 205.265 0.590 10 0 BCAELP CCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000328172311 487624569 /nfs/dbraw/zinc/62/45/69/487624569.db2.gz KKENNVAXVDAPFD-JTQLQIEISA-N 2 2 200.326 0.831 10 0 BCAELP CCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000328172311 487624574 /nfs/dbraw/zinc/62/45/74/487624574.db2.gz KKENNVAXVDAPFD-JTQLQIEISA-N 2 2 200.326 0.831 10 0 BCAELP CN(C)C(=O)C[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040989228 172362814 /nfs/dbraw/zinc/36/28/14/172362814.db2.gz HDNXDYOECNPQHV-WDEREUQCSA-N 2 2 227.352 0.666 10 0 BCAELP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040989228 172362817 /nfs/dbraw/zinc/36/28/17/172362817.db2.gz HDNXDYOECNPQHV-WDEREUQCSA-N 2 2 227.352 0.666 10 0 BCAELP CN(C)C(=O)C[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040989230 172364007 /nfs/dbraw/zinc/36/40/07/172364007.db2.gz HDNXDYOECNPQHV-QWRGUYRKSA-N 2 2 227.352 0.666 10 0 BCAELP CN(C)C(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040989230 172364008 /nfs/dbraw/zinc/36/40/08/172364008.db2.gz HDNXDYOECNPQHV-QWRGUYRKSA-N 2 2 227.352 0.666 10 0 BCAELP CN(CC(C)(C)C[NH3+])c1[nH+]cnc2c1cnn2C ZINC000093874725 172624958 /nfs/dbraw/zinc/62/49/58/172624958.db2.gz ZUQXAZWRMFCVHR-UHFFFAOYSA-N 2 2 248.334 0.784 10 0 BCAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1COCCO1 ZINC000054243349 173005816 /nfs/dbraw/zinc/00/58/16/173005816.db2.gz VZIVGYXRBPNWBB-VXGBXAGGSA-N 2 2 228.336 0.476 10 0 BCAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1COCCO1 ZINC000054243349 173005818 /nfs/dbraw/zinc/00/58/18/173005818.db2.gz VZIVGYXRBPNWBB-VXGBXAGGSA-N 2 2 228.336 0.476 10 0 BCAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766703 173041787 /nfs/dbraw/zinc/04/17/87/173041787.db2.gz VTIMIUKGZPAZMF-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766703 173041789 /nfs/dbraw/zinc/04/17/89/173041789.db2.gz VTIMIUKGZPAZMF-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncn2)C1 ZINC000054789848 173042648 /nfs/dbraw/zinc/04/26/48/173042648.db2.gz TYANFGAGWUXIBE-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncn2)C1 ZINC000054789848 173042650 /nfs/dbraw/zinc/04/26/50/173042650.db2.gz TYANFGAGWUXIBE-LLVKDONJSA-N 2 2 220.320 0.908 10 0 BCAELP C[N@@H+](Cc1cc(C[NH3+])no1)C[C@@H]1CC[NH+](C)C1 ZINC000071191815 173112815 /nfs/dbraw/zinc/11/28/15/173112815.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 2 238.335 0.517 10 0 BCAELP C[N@H+](Cc1cc(C[NH3+])no1)C[C@@H]1CC[NH+](C)C1 ZINC000071191815 173112817 /nfs/dbraw/zinc/11/28/17/173112817.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 2 238.335 0.517 10 0 BCAELP C[NH+](Cc1cc(C[NH3+])no1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191815 173112820 /nfs/dbraw/zinc/11/28/20/173112820.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 2 238.335 0.517 10 0 BCAELP C[NH+](Cc1cc(C[NH3+])no1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191815 173112822 /nfs/dbraw/zinc/11/28/22/173112822.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 2 238.335 0.517 10 0 BCAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccncn2)C1 ZINC000054789578 173117228 /nfs/dbraw/zinc/11/72/28/173117228.db2.gz VHSJWYTWUXOOBC-JTQLQIEISA-N 2 2 206.293 0.518 10 0 BCAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccncn2)C1 ZINC000054789578 173117229 /nfs/dbraw/zinc/11/72/29/173117229.db2.gz VHSJWYTWUXOOBC-JTQLQIEISA-N 2 2 206.293 0.518 10 0 BCAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766434 173117941 /nfs/dbraw/zinc/11/79/41/173117941.db2.gz BZLQYYSIUKOROX-JTQLQIEISA-N 2 2 206.293 0.518 10 0 BCAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)C1 ZINC000054766434 173117943 /nfs/dbraw/zinc/11/79/43/173117943.db2.gz BZLQYYSIUKOROX-JTQLQIEISA-N 2 2 206.293 0.518 10 0 BCAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000216223770 173142912 /nfs/dbraw/zinc/14/29/12/173142912.db2.gz IKDZFJZFLFTRCL-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000216223770 173142914 /nfs/dbraw/zinc/14/29/14/173142914.db2.gz IKDZFJZFLFTRCL-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000216223770 173142915 /nfs/dbraw/zinc/14/29/15/173142915.db2.gz IKDZFJZFLFTRCL-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000216223770 173142917 /nfs/dbraw/zinc/14/29/17/173142917.db2.gz IKDZFJZFLFTRCL-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+]1CC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666501 173145074 /nfs/dbraw/zinc/14/50/74/173145074.db2.gz DUURGJUDJRKVRF-LBPRGKRZSA-N 3 2 211.353 0.624 10 0 BCAELP C[N@H+]1CC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666501 173145076 /nfs/dbraw/zinc/14/50/76/173145076.db2.gz DUURGJUDJRKVRF-LBPRGKRZSA-N 3 2 211.353 0.624 10 0 BCAELP CNC(=O)C1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948814 173224537 /nfs/dbraw/zinc/22/45/37/173224537.db2.gz LUPAQDIZXSVBQK-ZYHUDNBSSA-N 2 2 239.363 0.585 10 0 BCAELP CNC(=O)C[N@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000037270112 173270889 /nfs/dbraw/zinc/27/08/89/173270889.db2.gz UZIBFLRZESNSGS-UHFFFAOYSA-N 2 2 239.294 0.462 10 0 BCAELP CNC(=O)C[N@@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000037270112 173270890 /nfs/dbraw/zinc/27/08/90/173270890.db2.gz UZIBFLRZESNSGS-UHFFFAOYSA-N 2 2 239.294 0.462 10 0 BCAELP CNC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037207409 173277099 /nfs/dbraw/zinc/27/70/99/173277099.db2.gz RVUSCAMOFBTCMJ-UHFFFAOYSA-N 2 2 213.325 0.195 10 0 BCAELP CNC(=O)[C@H]1CCC[N@@H+]1[C@H](C[NH3+])C(C)(C)C ZINC000043293999 173307901 /nfs/dbraw/zinc/30/79/01/173307901.db2.gz RPPHSGCLCOSXMO-NXEZZACHSA-N 2 2 227.352 0.570 10 0 BCAELP CNC(=O)[C@H]1CCC[N@H+]1[C@H](C[NH3+])C(C)(C)C ZINC000043293999 173307902 /nfs/dbraw/zinc/30/79/02/173307902.db2.gz RPPHSGCLCOSXMO-NXEZZACHSA-N 2 2 227.352 0.570 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC000040600715 173368379 /nfs/dbraw/zinc/36/83/79/173368379.db2.gz VZPKPVRTKICHSP-LBPRGKRZSA-N 2 2 241.379 0.785 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC000040600715 173368380 /nfs/dbraw/zinc/36/83/80/173368380.db2.gz VZPKPVRTKICHSP-LBPRGKRZSA-N 2 2 241.379 0.785 10 0 BCAELP C[NH2+]C[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000053703962 173370124 /nfs/dbraw/zinc/37/01/24/173370124.db2.gz NJRLNYLKOZEAHA-JTQLQIEISA-N 2 2 206.293 0.973 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000053034033 173370701 /nfs/dbraw/zinc/37/07/01/173370701.db2.gz IHWUBZMNGUBFET-NSHDSACASA-N 2 2 220.320 0.826 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000053034033 173370702 /nfs/dbraw/zinc/37/07/02/173370702.db2.gz IHWUBZMNGUBFET-NSHDSACASA-N 2 2 220.320 0.826 10 0 BCAELP C[NH2+]C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000071148229 173382488 /nfs/dbraw/zinc/38/24/88/173382488.db2.gz TUVDTYHTJZCDOL-SECBINFHSA-N 2 2 246.318 0.409 10 0 BCAELP C[NH2+]Cc1c(C)nn(C)c1-n1cc[nH+]c1 ZINC000034825237 173384243 /nfs/dbraw/zinc/38/42/43/173384243.db2.gz XUFDGLLPOHWMIS-UHFFFAOYSA-N 2 2 205.265 0.634 10 0 BCAELP C[NH2+]Cc1cc(CN(C)Cc2[nH+]ccn2C)on1 ZINC000062325736 173386744 /nfs/dbraw/zinc/38/67/44/173386744.db2.gz PQZQGFMRLMSBDA-UHFFFAOYSA-N 2 2 249.318 0.760 10 0 BCAELP C[NH2+][C@@](C)(CC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912248 173440260 /nfs/dbraw/zinc/44/02/60/173440260.db2.gz DNHXVSCCCVNCMP-AWEZNQCLSA-N 2 2 247.342 0.856 10 0 BCAELP COCCC[N@H+](CCOC)[C@](C)(C[NH3+])COC ZINC000053198502 174225845 /nfs/dbraw/zinc/22/58/45/174225845.db2.gz PGNBPDHVXAYZIC-GFCCVEGCSA-N 2 2 248.367 0.335 10 0 BCAELP COCCC[N@@H+](CCOC)[C@](C)(C[NH3+])COC ZINC000053198502 174225847 /nfs/dbraw/zinc/22/58/47/174225847.db2.gz PGNBPDHVXAYZIC-GFCCVEGCSA-N 2 2 248.367 0.335 10 0 BCAELP COCC[N@H+](C)CC[NH2+]CC1CCOCC1 ZINC000061377725 174277627 /nfs/dbraw/zinc/27/76/27/174277627.db2.gz COIYRUUSXYTSFL-UHFFFAOYSA-N 2 2 230.352 0.581 10 0 BCAELP COCC[N@@H+](C)CC[NH2+]CC1CCOCC1 ZINC000061377725 174277629 /nfs/dbraw/zinc/27/76/29/174277629.db2.gz COIYRUUSXYTSFL-UHFFFAOYSA-N 2 2 230.352 0.581 10 0 BCAELP COCC[N@H+](CCC[NH3+])CCn1cc[nH+]c1C ZINC000071225264 174291102 /nfs/dbraw/zinc/29/11/02/174291102.db2.gz FYPVESVGAPQBIN-UHFFFAOYSA-N 3 2 240.351 0.489 10 0 BCAELP COCC[N@@H+](CCC[NH3+])CCn1cc[nH+]c1C ZINC000071225264 174291103 /nfs/dbraw/zinc/29/11/03/174291103.db2.gz FYPVESVGAPQBIN-UHFFFAOYSA-N 3 2 240.351 0.489 10 0 BCAELP COCC[N@@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886439 174317447 /nfs/dbraw/zinc/31/74/47/174317447.db2.gz OWDYQXVVZOFTKS-SECBINFHSA-N 2 2 202.298 0.071 10 0 BCAELP COCC[N@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886439 174317448 /nfs/dbraw/zinc/31/74/48/174317448.db2.gz OWDYQXVVZOFTKS-SECBINFHSA-N 2 2 202.298 0.071 10 0 BCAELP COCC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000082646448 174334880 /nfs/dbraw/zinc/33/48/80/174334880.db2.gz WNOWJNIKQXLQPD-NSHDSACASA-N 2 2 216.325 0.069 10 0 BCAELP COCC[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000082646448 174334882 /nfs/dbraw/zinc/33/48/82/174334882.db2.gz WNOWJNIKQXLQPD-NSHDSACASA-N 2 2 216.325 0.069 10 0 BCAELP COCC[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000053650316 174335029 /nfs/dbraw/zinc/33/50/29/174335029.db2.gz SDPGBVPXRYIXOE-LLVKDONJSA-N 2 2 216.325 0.333 10 0 BCAELP COCC[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000053650316 174335030 /nfs/dbraw/zinc/33/50/30/174335030.db2.gz SDPGBVPXRYIXOE-LLVKDONJSA-N 2 2 216.325 0.333 10 0 BCAELP COc1cc2c(cc1OC)[C@@H](C[NH3+])[NH2+]CC2 ZINC000038244923 175025307 /nfs/dbraw/zinc/02/53/07/175025307.db2.gz JAQPKUUNMMRLKX-SNVBAGLBSA-N 2 2 222.288 0.849 10 0 BCAELP COc1ccc(C[NH+]2CCOCC2)cc1C[NH3+] ZINC000016942206 175100950 /nfs/dbraw/zinc/10/09/50/175100950.db2.gz ULNVNEYPIDIXIB-UHFFFAOYSA-N 2 2 236.315 0.986 10 0 BCAELP C[C@@H]1CCCC[N@@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062440355 176072102 /nfs/dbraw/zinc/07/21/02/176072102.db2.gz VWMKCAFVIGBIOY-PWSUYJOCSA-N 2 2 239.363 0.857 10 0 BCAELP C[C@@H]1CCCC[N@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062440355 176072104 /nfs/dbraw/zinc/07/21/04/176072104.db2.gz VWMKCAFVIGBIOY-PWSUYJOCSA-N 2 2 239.363 0.857 10 0 BCAELP C[C@@H]1CC[N@H+](Cc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235342000 176177961 /nfs/dbraw/zinc/17/79/61/176177961.db2.gz ZOYDRKAZDXQDCG-ZYHUDNBSSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235342000 176177962 /nfs/dbraw/zinc/17/79/62/176177962.db2.gz ZOYDRKAZDXQDCG-ZYHUDNBSSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000042542788 176195416 /nfs/dbraw/zinc/19/54/16/176195416.db2.gz FHAHTUMKKAOWNJ-GHMZBOCLSA-N 2 2 236.319 0.387 10 0 BCAELP C[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000082934733 176289000 /nfs/dbraw/zinc/28/90/00/176289000.db2.gz VZWIZFKMKQNEIV-VXGBXAGGSA-N 2 2 222.336 0.955 10 0 BCAELP C[C@@H]1CN(CCCn2cc[nH+]c2)CC[NH2+]1 ZINC000082925091 176290306 /nfs/dbraw/zinc/29/03/06/176290306.db2.gz MVIVRJPYORNLGD-LLVKDONJSA-N 2 2 208.309 0.567 10 0 BCAELP C[C@@H]1C[N@H+](Cc2occc2C[NH3+])CCO1 ZINC000052382422 176312943 /nfs/dbraw/zinc/31/29/43/176312943.db2.gz ONHNCWISDRKQGJ-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH3+])CCO1 ZINC000052382422 176312944 /nfs/dbraw/zinc/31/29/44/176312944.db2.gz ONHNCWISDRKQGJ-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000104228862 176329485 /nfs/dbraw/zinc/32/94/85/176329485.db2.gz XYLFRUCZPXVFBD-ZJUUUORDSA-N 2 2 234.303 0.081 10 0 BCAELP C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052475846 176337249 /nfs/dbraw/zinc/33/72/49/176337249.db2.gz BRNCFTXECFQFJW-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052475846 176337252 /nfs/dbraw/zinc/33/72/52/176337252.db2.gz BRNCFTXECFQFJW-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP CC[N@@H+]1CCO[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000674882160 487635729 /nfs/dbraw/zinc/63/57/29/487635729.db2.gz GTXPCPOLDQLQOY-XQQFMLRXSA-N 2 2 241.379 0.247 10 0 BCAELP CC[N@H+]1CCO[C@H](CN[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000674882160 487635735 /nfs/dbraw/zinc/63/57/35/487635735.db2.gz GTXPCPOLDQLQOY-XQQFMLRXSA-N 2 2 241.379 0.247 10 0 BCAELP CC[NH+]1CCO[C@H](CN[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000674882160 487635741 /nfs/dbraw/zinc/63/57/41/487635741.db2.gz GTXPCPOLDQLQOY-XQQFMLRXSA-N 2 2 241.379 0.247 10 0 BCAELP CC[NH+]1CCO[C@H](CN[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000674882160 487635748 /nfs/dbraw/zinc/63/57/48/487635748.db2.gz GTXPCPOLDQLQOY-XQQFMLRXSA-N 2 2 241.379 0.247 10 0 BCAELP C[C@H](c1cnn(C)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000044500911 177052281 /nfs/dbraw/zinc/05/22/81/177052281.db2.gz DPRFQVLPOUKIBQ-SNVBAGLBSA-N 2 2 208.309 0.776 10 0 BCAELP C[C@H](c1cnn(C)c1)[N@H+]1CCC[NH2+]CC1 ZINC000044500911 177052282 /nfs/dbraw/zinc/05/22/82/177052282.db2.gz DPRFQVLPOUKIBQ-SNVBAGLBSA-N 2 2 208.309 0.776 10 0 BCAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052176532 177274166 /nfs/dbraw/zinc/27/41/66/177274166.db2.gz NNAAMUDXSKZAMH-JQWIXIFHSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052176532 177274167 /nfs/dbraw/zinc/27/41/67/177274167.db2.gz NNAAMUDXSKZAMH-JQWIXIFHSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1C[C@@H]1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037772 177340441 /nfs/dbraw/zinc/34/04/41/177340441.db2.gz MMGKTPMORLSKPV-QWRGUYRKSA-N 2 2 225.336 0.135 10 0 BCAELP C[C@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000252978951 487841746 /nfs/dbraw/zinc/84/17/46/487841746.db2.gz FKFBGMRJAYWSAV-VHSXEESVSA-N 2 2 216.350 0.412 10 0 BCAELP C[C@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)CCS1 ZINC000252978951 487841751 /nfs/dbraw/zinc/84/17/51/487841751.db2.gz FKFBGMRJAYWSAV-VHSXEESVSA-N 2 2 216.350 0.412 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157933637 487930321 /nfs/dbraw/zinc/93/03/21/487930321.db2.gz TVAPQMIQMAWTTD-VHSXEESVSA-N 2 2 236.319 0.443 10 0 BCAELP C[C@H]1C[C@H]([NH2+]CC2CC(O)C2)C[N@@H+]1C1CC1 ZINC000229935144 323158165 /nfs/dbraw/zinc/15/81/65/323158165.db2.gz RZDIIZNMEDFFCB-URAGZPLESA-N 2 2 224.348 0.972 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)n1C ZINC000568269568 326338098 /nfs/dbraw/zinc/33/80/98/326338098.db2.gz PGTRLWVRMYSNNV-KWQFWETISA-N 2 2 236.319 0.485 10 0 BCAELP Cc1cc(NC[C@@H]2COCC[NH2+]2)nc(C)[nH+]1 ZINC000235904349 488029319 /nfs/dbraw/zinc/02/93/19/488029319.db2.gz XSKAGHSNJRPVOY-SNVBAGLBSA-N 2 2 222.292 0.494 10 0 BCAELP [NH3+][C@@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000085014125 488122580 /nfs/dbraw/zinc/12/25/80/488122580.db2.gz UHEHQGIURSJMTB-JGVFFNPUSA-N 2 2 208.265 0.153 10 0 BCAELP [NH3+][C@@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000085014125 488122583 /nfs/dbraw/zinc/12/25/83/488122583.db2.gz UHEHQGIURSJMTB-JGVFFNPUSA-N 2 2 208.265 0.153 10 0 BCAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000087197657 491066787 /nfs/dbraw/zinc/06/67/87/491066787.db2.gz VUFRHLQGQHBOAZ-NSHDSACASA-N 2 2 228.336 0.333 10 0 BCAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000087197657 491066788 /nfs/dbraw/zinc/06/67/88/491066788.db2.gz VUFRHLQGQHBOAZ-NSHDSACASA-N 2 2 228.336 0.333 10 0 BCAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309630332 491153224 /nfs/dbraw/zinc/15/32/24/491153224.db2.gz KFAMQFSINKHJGX-GFCCVEGCSA-N 2 2 223.320 0.561 10 0 BCAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309630332 491153225 /nfs/dbraw/zinc/15/32/25/491153225.db2.gz KFAMQFSINKHJGX-GFCCVEGCSA-N 2 2 223.320 0.561 10 0 BCAELP CC[NH2+][C@](C)(CCn1cc[nH+]c1)C(N)=O ZINC000045432347 582878826 /nfs/dbraw/zinc/87/88/26/582878826.db2.gz XCRGHADFGANBFW-SNVBAGLBSA-N 2 2 210.281 0.127 10 0 BCAELP CC[NH2+][C@@](C)(CCn1cc[nH+]c1)C(N)=O ZINC000045432344 582879289 /nfs/dbraw/zinc/87/92/89/582879289.db2.gz XCRGHADFGANBFW-JTQLQIEISA-N 2 2 210.281 0.127 10 0 BCAELP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H](C)[NH3+] ZINC000261896255 534912292 /nfs/dbraw/zinc/91/22/92/534912292.db2.gz UNWQMMBCQUSSCH-SNVBAGLBSA-N 2 2 238.335 0.893 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261533047 535094849 /nfs/dbraw/zinc/09/48/49/535094849.db2.gz GIXQTGFVOMJVBB-GHMZBOCLSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261533047 535094853 /nfs/dbraw/zinc/09/48/53/535094853.db2.gz GIXQTGFVOMJVBB-GHMZBOCLSA-N 2 2 248.392 0.479 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261578217 535626341 /nfs/dbraw/zinc/62/63/41/535626341.db2.gz LPAYVWKEQOCDQS-VHSXEESVSA-N 2 2 228.336 0.997 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261578217 535626345 /nfs/dbraw/zinc/62/63/45/535626345.db2.gz LPAYVWKEQOCDQS-VHSXEESVSA-N 2 2 228.336 0.997 10 0 BCAELP CCc1cnc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263267849 536050624 /nfs/dbraw/zinc/05/06/24/536050624.db2.gz RTWVUWVXGHVVHL-WCBMZHEXSA-N 2 2 241.360 0.375 10 0 BCAELP C[NH2+][C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000053205014 536414887 /nfs/dbraw/zinc/41/48/87/536414887.db2.gz AYDDBSRFALKRMC-JTQLQIEISA-N 2 2 206.293 0.973 10 0 BCAELP CC1(C)C[C@H]([N@@H+]2CC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000757163254 582544605 /nfs/dbraw/zinc/54/46/05/582544605.db2.gz ZAZZPTUXLAJCNF-RKDXNWHRSA-N 2 2 211.309 0.077 10 0 BCAELP CC1(C)C[C@H]([N@H+]2CC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000757163254 582544607 /nfs/dbraw/zinc/54/46/07/582544607.db2.gz ZAZZPTUXLAJCNF-RKDXNWHRSA-N 2 2 211.309 0.077 10 0 BCAELP CC(C)CCn1c[nH+]c(C[C@H]([NH3+])CO)c1 ZINC000757186989 586434562 /nfs/dbraw/zinc/43/45/62/586434562.db2.gz HWPIMUIJZAQDKY-JTQLQIEISA-N 2 2 211.309 0.791 10 0 BCAELP CC(C)CCn1c[nH+]c(C[C@@H]([NH3+])CO)c1 ZINC000757186993 586434594 /nfs/dbraw/zinc/43/45/94/586434594.db2.gz HWPIMUIJZAQDKY-SNVBAGLBSA-N 2 2 211.309 0.791 10 0 BCAELP CCn1cc([C@@H]2[NH2+]CC[C@@H](C)[C@@H]2[NH3+])cn1 ZINC000757235595 586443414 /nfs/dbraw/zinc/44/34/14/586443414.db2.gz LUUCPBPGILXBEW-MIMYLULJSA-N 2 2 208.309 0.901 10 0 BCAELP C[C@@H]1C[C@@]([NH3+])(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633635 591209077 /nfs/dbraw/zinc/20/90/77/591209077.db2.gz RAZYONAFKOBSBO-BXUZGUMPSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@@H]1C[C@@]([NH3+])(CC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000211633635 591209081 /nfs/dbraw/zinc/20/90/81/591209081.db2.gz RAZYONAFKOBSBO-BXUZGUMPSA-N 2 2 247.342 0.854 10 0 BCAELP CN(C)c1cc(N(C)CCC[NH3+])nc[nH+]1 ZINC000258937475 631687485 /nfs/dbraw/zinc/68/74/85/631687485.db2.gz KGFYYVMTCAQJMD-UHFFFAOYSA-N 2 2 209.297 0.328 10 0 BCAELP CN(C)c1cc(N(C)CCC[NH3+])[nH+]cn1 ZINC000258937475 631687494 /nfs/dbraw/zinc/68/74/94/631687494.db2.gz KGFYYVMTCAQJMD-UHFFFAOYSA-N 2 2 209.297 0.328 10 0 BCAELP Cc1nsc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321424481 636647052 /nfs/dbraw/zinc/64/70/52/636647052.db2.gz VYYIOCTXIFTSHK-UHFFFAOYSA-N 2 2 241.364 0.682 10 0 BCAELP C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]1([NH3+])CC(N)=O ZINC000211633803 636712369 /nfs/dbraw/zinc/71/23/69/636712369.db2.gz YUUOWUSRZOHSIA-BXUZGUMPSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1([NH3+])CC(N)=O ZINC000211633803 636712372 /nfs/dbraw/zinc/71/23/72/636712372.db2.gz YUUOWUSRZOHSIA-BXUZGUMPSA-N 2 2 247.342 0.854 10 0 BCAELP C[NH2+][C@](C)(CCn1cc[nH+]c1C)C(=O)OC ZINC000045433097 640556765 /nfs/dbraw/zinc/55/67/65/640556765.db2.gz CIICRONAPCJNQR-LLVKDONJSA-N 2 2 225.292 0.733 10 0 BCAELP COC(=O)[C@@H]([NH3+])CCn1c[nH+]c(C)c1C ZINC000062538715 641056968 /nfs/dbraw/zinc/05/69/68/641056968.db2.gz SUDJUJJWCVJEKX-VIFPVBQESA-N 2 2 211.265 0.390 10 0 BCAELP CCC[NH2+][C@@H](CCn1cc[nH+]c1)C(N)=O ZINC000062534868 641057817 /nfs/dbraw/zinc/05/78/17/641057817.db2.gz WVGNATZAPLUGID-VIFPVBQESA-N 2 2 210.281 0.127 10 0 BCAELP CCc1[nH+]ccn1CC[C@H]([NH3+])C(=O)OC ZINC000062537414 641059599 /nfs/dbraw/zinc/05/95/99/641059599.db2.gz ILBQMAYRRZVJJM-QMMMGPOBSA-N 2 2 211.265 0.336 10 0 BCAELP C[N@@H+](Cc1cnc(N)cn1)C[C@@H]1CC[NH+](C)C1 ZINC000231299752 641157818 /nfs/dbraw/zinc/15/78/18/641157818.db2.gz YRFJFTPTBVYDJR-SNVBAGLBSA-N 2 2 235.335 0.442 10 0 BCAELP C[N@H+](Cc1cnc(N)cn1)C[C@@H]1CC[NH+](C)C1 ZINC000231299752 641157823 /nfs/dbraw/zinc/15/78/23/641157823.db2.gz YRFJFTPTBVYDJR-SNVBAGLBSA-N 2 2 235.335 0.442 10 0 BCAELP C[NH+](Cc1cnc(N)cn1)C[C@@H]1CC[N@H+](C)C1 ZINC000231299752 641157828 /nfs/dbraw/zinc/15/78/28/641157828.db2.gz YRFJFTPTBVYDJR-SNVBAGLBSA-N 2 2 235.335 0.442 10 0 BCAELP C[NH+](Cc1cnc(N)cn1)C[C@@H]1CC[N@@H+](C)C1 ZINC000231299752 641157831 /nfs/dbraw/zinc/15/78/31/641157831.db2.gz YRFJFTPTBVYDJR-SNVBAGLBSA-N 2 2 235.335 0.442 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000252690884 643090793 /nfs/dbraw/zinc/09/07/93/643090793.db2.gz WGXASWAASUYBLT-QWRGUYRKSA-N 2 2 216.325 0.195 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000252690884 643090797 /nfs/dbraw/zinc/09/07/97/643090797.db2.gz WGXASWAASUYBLT-QWRGUYRKSA-N 2 2 216.325 0.195 10 0 BCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000252954915 643147243 /nfs/dbraw/zinc/14/72/43/643147243.db2.gz IDYGZLLCOBWVJW-LPWJVIDDSA-N 2 2 242.363 0.911 10 0 BCAELP CC[NH2+][C@](Cn1cc[nH+]c1)(C(N)=O)C1CC1 ZINC000068943062 643432591 /nfs/dbraw/zinc/43/25/91/643432591.db2.gz SGIOASLBRUTWDD-NSHDSACASA-N 2 2 222.292 0.127 10 0 BCAELP COC(=O)[C@@]([NH3+])(Cn1cc[nH+]c1C)C1CC1 ZINC000068943087 643433783 /nfs/dbraw/zinc/43/37/83/643433783.db2.gz GBEZHHIDVDJJSG-LLVKDONJSA-N 2 2 223.276 0.472 10 0 BCAELP c1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)O2 ZINC000086728894 644171558 /nfs/dbraw/zinc/17/15/58/644171558.db2.gz NVMZPDKQCOIPER-NEPJUHHUSA-N 2 2 218.300 0.942 10 0 BCAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC(C)(C)O ZINC000717427854 711490582 /nfs/dbraw/zinc/49/05/82/711490582.db2.gz XHFDUSFXHGEYLN-WDEREUQCSA-N 2 2 212.337 0.926 10 0 BCAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC(C)(C)O ZINC000717427854 711490585 /nfs/dbraw/zinc/49/05/85/711490585.db2.gz XHFDUSFXHGEYLN-WDEREUQCSA-N 2 2 212.337 0.926 10 0 BCAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC(C)(C)O ZINC000717427854 711490587 /nfs/dbraw/zinc/49/05/87/711490587.db2.gz XHFDUSFXHGEYLN-WDEREUQCSA-N 2 2 212.337 0.926 10 0 BCAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC(C)(C)O ZINC000717427854 711490589 /nfs/dbraw/zinc/49/05/89/711490589.db2.gz XHFDUSFXHGEYLN-WDEREUQCSA-N 2 2 212.337 0.926 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000708939469 712203074 /nfs/dbraw/zinc/20/30/74/712203074.db2.gz DLAQLUZYYYSHGY-WOPDTQHZSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000708939469 712203075 /nfs/dbraw/zinc/20/30/75/712203075.db2.gz DLAQLUZYYYSHGY-WOPDTQHZSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000708939465 712203770 /nfs/dbraw/zinc/20/37/70/712203770.db2.gz DLAQLUZYYYSHGY-SDDRHHMPSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000708939465 712203774 /nfs/dbraw/zinc/20/37/74/712203774.db2.gz DLAQLUZYYYSHGY-SDDRHHMPSA-N 2 2 228.336 0.604 10 0 BCAELP CN(C)c1cc(N[C@@H]2COCC[C@@H]2[NH3+])nc[nH+]1 ZINC000950757200 712726361 /nfs/dbraw/zinc/72/63/61/712726361.db2.gz GSYTVRKWDJIQJY-DTWKUNHWSA-N 2 2 237.307 0.071 10 0 BCAELP C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@@H]1CCC[NH2+]C1 ZINC000720606248 712858035 /nfs/dbraw/zinc/85/80/35/712858035.db2.gz KEZFSFYFCCEEPO-OUAUKWLOSA-N 2 2 237.351 0.854 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746053 712863156 /nfs/dbraw/zinc/86/31/56/712863156.db2.gz FMBHILQLADHVNY-QWRGUYRKSA-N 2 2 230.352 0.441 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746053 712863158 /nfs/dbraw/zinc/86/31/58/712863158.db2.gz FMBHILQLADHVNY-QWRGUYRKSA-N 2 2 230.352 0.441 10 0 BCAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685955198 538900974 /nfs/dbraw/zinc/90/09/74/538900974.db2.gz VWMNJKWNDXKVNE-LLVKDONJSA-N 3 2 211.353 0.894 10 0 BCAELP CCC[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685955198 538900975 /nfs/dbraw/zinc/90/09/75/538900975.db2.gz VWMNJKWNDXKVNE-LLVKDONJSA-N 3 2 211.353 0.894 10 0 BCAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCSC[C@H](C)C1 ZINC000307361808 398138404 /nfs/dbraw/zinc/13/84/04/398138404.db2.gz HZXCLSCTFSWIEO-SFYZADRCSA-N 2 2 201.339 0.996 10 0 BCAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCSC[C@H](C)C1 ZINC000307361808 398138407 /nfs/dbraw/zinc/13/84/07/398138407.db2.gz HZXCLSCTFSWIEO-SFYZADRCSA-N 2 2 201.339 0.996 10 0 BCAELP CC(C)[N@H+](C)C[C@H](O)Cn1c[nH+]c(N)c1 ZINC000685964235 538910949 /nfs/dbraw/zinc/91/09/49/538910949.db2.gz STSJXUDNSKFHIR-VIFPVBQESA-N 2 2 212.297 0.166 10 0 BCAELP CC(C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c(N)c1 ZINC000685964235 538910951 /nfs/dbraw/zinc/91/09/51/538910951.db2.gz STSJXUDNSKFHIR-VIFPVBQESA-N 2 2 212.297 0.166 10 0 BCAELP Cc1cc(NC[C@@H]2C[NH2+]CCO2)nc[nH+]1 ZINC000227786547 178167087 /nfs/dbraw/zinc/16/70/87/178167087.db2.gz MWCFQZMRKXQKMX-VIFPVBQESA-N 2 2 208.265 0.185 10 0 BCAELP Cc1[nH+]cccc1Cn1cc(C[NH3+])nn1 ZINC000379803095 398238437 /nfs/dbraw/zinc/23/84/37/398238437.db2.gz MXTZMHKKTJSALN-UHFFFAOYSA-N 2 2 203.249 0.489 10 0 BCAELP Cc1ccc(O)c(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235683124 398248750 /nfs/dbraw/zinc/24/87/50/398248750.db2.gz PRCWMBQKJHCJSI-WPRPVWTQSA-N 2 2 221.304 0.875 10 0 BCAELP Cc1ccc(O)c(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000235683124 398248752 /nfs/dbraw/zinc/24/87/52/398248752.db2.gz PRCWMBQKJHCJSI-WPRPVWTQSA-N 2 2 221.304 0.875 10 0 BCAELP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C[NH3+])no1 ZINC000381748138 398270627 /nfs/dbraw/zinc/27/06/27/398270627.db2.gz QKMLCGAVTWGKKJ-HTQZYQBOSA-N 2 2 210.281 0.901 10 0 BCAELP C[N@H+]([C@H]1CCOC1)[C@]1(C[NH3+])CCSC1 ZINC000134654506 342875415 /nfs/dbraw/zinc/87/54/15/342875415.db2.gz LIVPOPRVZADZAF-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP C[N@@H+]([C@H]1CCOC1)[C@]1(C[NH3+])CCSC1 ZINC000134654506 342875416 /nfs/dbraw/zinc/87/54/16/342875416.db2.gz LIVPOPRVZADZAF-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP CCn1cc[nH+]c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234214746 342918712 /nfs/dbraw/zinc/91/87/12/342918712.db2.gz SIXPAJOLHSVPPJ-UWVGGRQHSA-N 2 2 208.309 0.682 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261536761 536631289 /nfs/dbraw/zinc/63/12/89/536631289.db2.gz SVBMWEGJIGFTAR-AATLWQCWSA-N 2 2 212.293 0.217 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261536761 536631294 /nfs/dbraw/zinc/63/12/94/536631294.db2.gz SVBMWEGJIGFTAR-AATLWQCWSA-N 2 2 212.293 0.217 10 0 BCAELP COC[C@@H](C)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000189510634 346891807 /nfs/dbraw/zinc/89/18/07/346891807.db2.gz MKTAZEZSUXLVAG-NWDGAFQWSA-N 2 2 230.352 0.531 10 0 BCAELP COC[C@@H](C)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000189510634 346891810 /nfs/dbraw/zinc/89/18/10/346891810.db2.gz MKTAZEZSUXLVAG-NWDGAFQWSA-N 2 2 230.352 0.531 10 0 BCAELP C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000026515126 343106553 /nfs/dbraw/zinc/10/65/53/343106553.db2.gz VJRRZVGILJFQGQ-LLVKDONJSA-N 2 2 225.336 0.293 10 0 BCAELP C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000026515126 343106556 /nfs/dbraw/zinc/10/65/56/343106556.db2.gz VJRRZVGILJFQGQ-LLVKDONJSA-N 2 2 225.336 0.293 10 0 BCAELP Cc1cc(C)nc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122810034 343160816 /nfs/dbraw/zinc/16/08/16/343160816.db2.gz UMKCPFIGISSONC-NSHDSACASA-N 2 2 235.335 0.173 10 0 BCAELP Cc1cc(C)nc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122810034 343160818 /nfs/dbraw/zinc/16/08/18/343160818.db2.gz UMKCPFIGISSONC-NSHDSACASA-N 2 2 235.335 0.173 10 0 BCAELP C[N@@H+]1CCN(c2nc3ccccc3[nH]2)[C@H](C[NH3+])C1 ZINC000122789203 343160854 /nfs/dbraw/zinc/16/08/54/343160854.db2.gz PJQJTKRAGACAJB-SNVBAGLBSA-N 2 2 245.330 0.642 10 0 BCAELP C[N@H+]1CCN(c2nc3ccccc3[nH]2)[C@H](C[NH3+])C1 ZINC000122789203 343160856 /nfs/dbraw/zinc/16/08/56/343160856.db2.gz PJQJTKRAGACAJB-SNVBAGLBSA-N 2 2 245.330 0.642 10 0 BCAELP C[N@@H+]1CCN(c2ncnc3c2CCC3)[C@H](C[NH3+])C1 ZINC000122790017 343161250 /nfs/dbraw/zinc/16/12/50/343161250.db2.gz RSYIHOLPADIETP-SNVBAGLBSA-N 2 2 247.346 0.044 10 0 BCAELP C[N@H+]1CCN(c2ncnc3c2CCC3)[C@H](C[NH3+])C1 ZINC000122790017 343161252 /nfs/dbraw/zinc/16/12/52/343161252.db2.gz RSYIHOLPADIETP-SNVBAGLBSA-N 2 2 247.346 0.044 10 0 BCAELP COc1c(C[N@H+](C)CCC[NH3+])c(C)nn1C ZINC000166661522 343208089 /nfs/dbraw/zinc/20/80/89/343208089.db2.gz CQWZSTAPYIFOAT-UHFFFAOYSA-N 2 2 226.324 0.518 10 0 BCAELP COc1c(C[N@@H+](C)CCC[NH3+])c(C)nn1C ZINC000166661522 343208091 /nfs/dbraw/zinc/20/80/91/343208091.db2.gz CQWZSTAPYIFOAT-UHFFFAOYSA-N 2 2 226.324 0.518 10 0 BCAELP COc1ncccc1C[NH2+]C[C@H](O)C[NH+](C)C ZINC000037894087 187260795 /nfs/dbraw/zinc/26/07/95/187260795.db2.gz JCIJOXBERUAZLO-NSHDSACASA-N 2 2 239.319 0.102 10 0 BCAELP Cc1cc(Cn2cc(C[NH3+])nn2)cc[nH+]1 ZINC000641088867 362212869 /nfs/dbraw/zinc/21/28/69/362212869.db2.gz KLMNPYHUSSZPFP-UHFFFAOYSA-N 2 2 203.249 0.489 10 0 BCAELP C[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000167003600 136367867 /nfs/dbraw/zinc/36/78/67/136367867.db2.gz COHFBUSNBPMULN-LBPRGKRZSA-N 2 2 236.319 0.601 10 0 BCAELP CNC(=O)[C@@H]1CCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000189571181 136372286 /nfs/dbraw/zinc/37/22/86/136372286.db2.gz BCGILHHDORIGNJ-LLVKDONJSA-N 2 2 227.352 0.442 10 0 BCAELP CNC(=O)[C@@H]1CCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000189571181 136372287 /nfs/dbraw/zinc/37/22/87/136372287.db2.gz BCGILHHDORIGNJ-LLVKDONJSA-N 2 2 227.352 0.442 10 0 BCAELP CNC(=O)[C@H]1CCC[N@H+](CC[NH2+]C(C)C)C1 ZINC000189571161 136372385 /nfs/dbraw/zinc/37/23/85/136372385.db2.gz BCGILHHDORIGNJ-NSHDSACASA-N 2 2 227.352 0.442 10 0 BCAELP CNC(=O)[C@H]1CCC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000189571161 136372386 /nfs/dbraw/zinc/37/23/86/136372386.db2.gz BCGILHHDORIGNJ-NSHDSACASA-N 2 2 227.352 0.442 10 0 BCAELP CC(C)(C)[C@H](C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000041051721 187264163 /nfs/dbraw/zinc/26/41/63/187264163.db2.gz IIXHRTYLMCRNBL-VIFPVBQESA-N 2 2 213.325 0.182 10 0 BCAELP CC(C)(C)[C@H](C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000041051721 187264164 /nfs/dbraw/zinc/26/41/64/187264164.db2.gz IIXHRTYLMCRNBL-VIFPVBQESA-N 2 2 213.325 0.182 10 0 BCAELP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCCSCC1 ZINC000043802598 187268676 /nfs/dbraw/zinc/26/86/76/187268676.db2.gz FQWWUWFELWSSBF-SNVBAGLBSA-N 2 2 216.350 0.414 10 0 BCAELP C([C@H]1C[NH2+]CCO1)[N@H+]1CCCSCC1 ZINC000043802598 187268678 /nfs/dbraw/zinc/26/86/78/187268678.db2.gz FQWWUWFELWSSBF-SNVBAGLBSA-N 2 2 216.350 0.414 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])cc(OC)c1O ZINC000072200810 343795856 /nfs/dbraw/zinc/79/58/56/343795856.db2.gz ZBGPRMDHBSKIDC-ZETCQYMHSA-N 2 2 212.249 0.368 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772516 344288427 /nfs/dbraw/zinc/28/84/27/344288427.db2.gz OTJQETNSUKETBZ-GWCFXTLKSA-N 2 2 248.330 0.758 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600885769 344388353 /nfs/dbraw/zinc/38/83/53/344388353.db2.gz NSPBHIRYOFVTTM-JQWIXIFHSA-N 2 2 244.335 0.378 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600885769 344388355 /nfs/dbraw/zinc/38/83/55/344388355.db2.gz NSPBHIRYOFVTTM-JQWIXIFHSA-N 2 2 244.335 0.378 10 0 BCAELP Cc1nn(C)c(-n2c[nH+]c(C)c2C)c1C(N)=[NH2+] ZINC000104308056 187292046 /nfs/dbraw/zinc/29/20/46/187292046.db2.gz DIAOZSSRYBYYQQ-UHFFFAOYSA-N 2 2 232.291 0.815 10 0 BCAELP [NH3+]C[C@H]([NH3+])c1ccc(Br)nc1 ZINC000044472391 345090074 /nfs/dbraw/zinc/09/00/74/345090074.db2.gz OLPFNIUXYVIGGN-LURJTMIESA-N 2 2 216.082 0.803 10 0 BCAELP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000634999808 345201322 /nfs/dbraw/zinc/20/13/22/345201322.db2.gz ZFTWTNMOCBRWPV-ZJUUUORDSA-N 2 2 208.309 0.447 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000634999808 345201323 /nfs/dbraw/zinc/20/13/23/345201323.db2.gz ZFTWTNMOCBRWPV-ZJUUUORDSA-N 2 2 208.309 0.447 10 0 BCAELP C[C@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000634999782 345201388 /nfs/dbraw/zinc/20/13/88/345201388.db2.gz YWEHLAJHRIANGV-UWVGGRQHSA-N 2 2 208.309 0.447 10 0 BCAELP C[C@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000634999782 345201390 /nfs/dbraw/zinc/20/13/90/345201390.db2.gz YWEHLAJHRIANGV-UWVGGRQHSA-N 2 2 208.309 0.447 10 0 BCAELP COc1c(C[NH+]2CCC([NH3+])CC2)c(C)nn1C ZINC000158489905 345339204 /nfs/dbraw/zinc/33/92/04/345339204.db2.gz DYRKOCDUSAEGBK-UHFFFAOYSA-N 2 2 238.335 0.660 10 0 BCAELP COC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000159686853 345469859 /nfs/dbraw/zinc/46/98/59/345469859.db2.gz UWNWMOGAUKBHLD-VIFPVBQESA-N 2 2 248.286 0.784 10 0 BCAELP COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc[nH+]c1 ZINC000082800143 537922972 /nfs/dbraw/zinc/92/29/72/537922972.db2.gz FQQMQWBAMSRFCK-WPRPVWTQSA-N 2 2 211.265 0.725 10 0 BCAELP COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1 ZINC000082800144 537924435 /nfs/dbraw/zinc/92/44/35/537924435.db2.gz FQQMQWBAMSRFCK-SCZZXKLOSA-N 2 2 211.265 0.725 10 0 BCAELP [NH3+]C[C@H]([C@H]1CCCO1)[NH+]1CCSCC1 ZINC000148888796 346064269 /nfs/dbraw/zinc/06/42/69/346064269.db2.gz JNWLXIICVOIIFJ-NXEZZACHSA-N 2 2 216.350 0.542 10 0 BCAELP C[C@H]1CSC(NN2CC[NH+](C)CC2)=[NH+]1 ZINC000148834926 346464963 /nfs/dbraw/zinc/46/49/63/346464963.db2.gz ZSIKZVHRJVFYRO-QMMMGPOBSA-N 2 2 214.338 0.230 10 0 BCAELP CO[C@@H]1C[N@H+](CCc2cn[nH]c2)[C@](C)(C[NH3+])C1 ZINC000641819057 362771398 /nfs/dbraw/zinc/77/13/98/362771398.db2.gz HAQCVWXPNIPRNY-RYUDHWBXSA-N 2 2 238.335 0.390 10 0 BCAELP CO[C@@H]1C[N@@H+](CCc2cn[nH]c2)[C@](C)(C[NH3+])C1 ZINC000641819057 362771399 /nfs/dbraw/zinc/77/13/99/362771399.db2.gz HAQCVWXPNIPRNY-RYUDHWBXSA-N 2 2 238.335 0.390 10 0 BCAELP CO[C@H]1C[N@H+](CCc2cn[nH]c2)[C@](C)(C[NH3+])C1 ZINC000641819055 362771402 /nfs/dbraw/zinc/77/14/02/362771402.db2.gz HAQCVWXPNIPRNY-NEPJUHHUSA-N 2 2 238.335 0.390 10 0 BCAELP CO[C@H]1C[N@@H+](CCc2cn[nH]c2)[C@](C)(C[NH3+])C1 ZINC000641819055 362771403 /nfs/dbraw/zinc/77/14/03/362771403.db2.gz HAQCVWXPNIPRNY-NEPJUHHUSA-N 2 2 238.335 0.390 10 0 BCAELP Cc1cccc([C@@H](C[NH3+])[NH+](CCO)CCO)c1 ZINC000042966789 179184116 /nfs/dbraw/zinc/18/41/16/179184116.db2.gz IHSKATXVYOKOQN-CYBMUJFWSA-N 2 2 238.331 0.281 10 0 BCAELP C[N@H+](C[C@H]1CCOCO1)[C@H]1CC[NH2+]C1 ZINC000250370380 362800965 /nfs/dbraw/zinc/80/09/65/362800965.db2.gz HCGZZLSKQNOLQZ-VHSXEESVSA-N 2 2 200.282 0.043 10 0 BCAELP C[N@@H+](C[C@H]1CCOCO1)[C@H]1CC[NH2+]C1 ZINC000250370380 362800967 /nfs/dbraw/zinc/80/09/67/362800967.db2.gz HCGZZLSKQNOLQZ-VHSXEESVSA-N 2 2 200.282 0.043 10 0 BCAELP C[N@H+](CC[C@@H]([NH3+])C(N)=O)C1CCCCC1 ZINC000062442883 537997004 /nfs/dbraw/zinc/99/70/04/537997004.db2.gz HHMXCFMIWDIFIX-SNVBAGLBSA-N 2 2 213.325 0.454 10 0 BCAELP C[N@@H+](CC[C@@H]([NH3+])C(N)=O)C1CCCCC1 ZINC000062442883 537997015 /nfs/dbraw/zinc/99/70/15/537997015.db2.gz HHMXCFMIWDIFIX-SNVBAGLBSA-N 2 2 213.325 0.454 10 0 BCAELP C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000082680335 348317406 /nfs/dbraw/zinc/31/74/06/348317406.db2.gz LEQGRHSZRUNCSQ-IUCAKERBSA-N 2 2 240.269 0.793 10 0 BCAELP C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000082680335 348317409 /nfs/dbraw/zinc/31/74/09/348317409.db2.gz LEQGRHSZRUNCSQ-IUCAKERBSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@H](O)C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000082680335 348317411 /nfs/dbraw/zinc/31/74/11/348317411.db2.gz LEQGRHSZRUNCSQ-IUCAKERBSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@H](O)C(F)(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000082680335 348317414 /nfs/dbraw/zinc/31/74/14/348317414.db2.gz LEQGRHSZRUNCSQ-IUCAKERBSA-N 2 2 240.269 0.793 10 0 BCAELP CCC[N@@H+]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246169 538004270 /nfs/dbraw/zinc/00/42/70/538004270.db2.gz RAKAGSFUBMEEPT-CMPLNLGQSA-N 2 2 210.321 0.897 10 0 BCAELP CCC[N@H+]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246169 538004277 /nfs/dbraw/zinc/00/42/77/538004277.db2.gz RAKAGSFUBMEEPT-CMPLNLGQSA-N 2 2 210.321 0.897 10 0 BCAELP CC(C)[N@@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245966 538005107 /nfs/dbraw/zinc/00/51/07/538005107.db2.gz OLVJWQYSFIUAGV-JQWIXIFHSA-N 2 2 210.321 0.895 10 0 BCAELP CC(C)[N@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725245966 538005112 /nfs/dbraw/zinc/00/51/12/538005112.db2.gz OLVJWQYSFIUAGV-JQWIXIFHSA-N 2 2 210.321 0.895 10 0 BCAELP C[C@H](CO)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578646 349126171 /nfs/dbraw/zinc/12/61/71/349126171.db2.gz PAMZZMWPSWLFCZ-KOLCDFICSA-N 2 2 210.321 0.584 10 0 BCAELP CCc1csc(N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000250264574 349168513 /nfs/dbraw/zinc/16/85/13/349168513.db2.gz HANVYKUFIVCMHW-SNVBAGLBSA-N 2 2 240.376 0.785 10 0 BCAELP CCc1csc(N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000250264574 349168515 /nfs/dbraw/zinc/16/85/15/349168515.db2.gz HANVYKUFIVCMHW-SNVBAGLBSA-N 2 2 240.376 0.785 10 0 BCAELP Cn1c(C[NH+](C)C)nc2c1[C@H]([NH3+])CCC2 ZINC000725253753 538039629 /nfs/dbraw/zinc/03/96/29/538039629.db2.gz XEMJKHHWURXNKH-MRVPVSSYSA-N 2 2 208.309 0.818 10 0 BCAELP Cc1[nH+]cc(SCC[NH3+])n1CCO ZINC000022005397 180172703 /nfs/dbraw/zinc/17/27/03/180172703.db2.gz IRENOKWDNDDFRI-UHFFFAOYSA-N 2 2 201.295 0.235 10 0 BCAELP Cc1[nH+]ccn1CC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000049329978 180262517 /nfs/dbraw/zinc/26/25/17/180262517.db2.gz JFWMBYLPCMBAAQ-ZDUSSCGKSA-N 3 2 234.347 0.875 10 0 BCAELP C[N@@H+]1CCN([C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000226615821 350442359 /nfs/dbraw/zinc/44/23/59/350442359.db2.gz KSVJACVTLVVPOD-ZJUUUORDSA-N 2 2 215.366 0.067 10 0 BCAELP C[N@H+]1CCN([C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000226615821 350442366 /nfs/dbraw/zinc/44/23/66/350442366.db2.gz KSVJACVTLVVPOD-ZJUUUORDSA-N 2 2 215.366 0.067 10 0 BCAELP OCC[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000163186008 350512970 /nfs/dbraw/zinc/51/29/70/350512970.db2.gz DPMSGMDMODZWKV-GFCCVEGCSA-N 2 2 223.320 0.978 10 0 BCAELP OCC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000163186008 350512974 /nfs/dbraw/zinc/51/29/74/350512974.db2.gz DPMSGMDMODZWKV-GFCCVEGCSA-N 2 2 223.320 0.978 10 0 BCAELP Cc1nnc(-n2cc[nH+]c2)c(C[NH3+])c1C ZINC000040290479 180396290 /nfs/dbraw/zinc/39/62/90/180396290.db2.gz DEANZLDNMLFOEY-UHFFFAOYSA-N 2 2 203.249 0.738 10 0 BCAELP Cn1c[nH+]cc1-c1cnnn1[C@@H]1CCC[NH2+]CC1 ZINC000725266161 538094278 /nfs/dbraw/zinc/09/42/78/538094278.db2.gz RGCCILGNIDCPCE-SNVBAGLBSA-N 2 2 246.318 0.993 10 0 BCAELP Nc1ccc([C@@H]2CCOCC[N@@H+]2CC[NH3+])cc1 ZINC000616598694 350685471 /nfs/dbraw/zinc/68/54/71/350685471.db2.gz UCTMBTLDSJSCFE-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccc([C@@H]2CCOCC[N@H+]2CC[NH3+])cc1 ZINC000616598694 350685472 /nfs/dbraw/zinc/68/54/72/350685472.db2.gz UCTMBTLDSJSCFE-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cn[nH]n2)CC1 ZINC000616601319 350782235 /nfs/dbraw/zinc/78/22/35/350782235.db2.gz NZTDIZBXZKXHDD-SECBINFHSA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cn[nH]n2)CC1 ZINC000616601319 350782237 /nfs/dbraw/zinc/78/22/37/350782237.db2.gz NZTDIZBXZKXHDD-SECBINFHSA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccnnc2)C1 ZINC000616621186 350988847 /nfs/dbraw/zinc/98/88/47/350988847.db2.gz PVDZIYZYCCGRPO-LLVKDONJSA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccnnc2)C1 ZINC000616621186 350988852 /nfs/dbraw/zinc/98/88/52/350988852.db2.gz PVDZIYZYCCGRPO-LLVKDONJSA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cncnc2)C1 ZINC000616620844 350945150 /nfs/dbraw/zinc/94/51/50/350945150.db2.gz MNVWWSCPNNCTKP-JTQLQIEISA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2cncnc2)C1 ZINC000616620844 350945152 /nfs/dbraw/zinc/94/51/52/350945152.db2.gz MNVWWSCPNNCTKP-JTQLQIEISA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616626659 351105881 /nfs/dbraw/zinc/10/58/81/351105881.db2.gz UQVNFUBYNRKTLC-CYBMUJFWSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc(CO)cc2)C1 ZINC000616626659 351105885 /nfs/dbraw/zinc/10/58/85/351105885.db2.gz UQVNFUBYNRKTLC-CYBMUJFWSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](n2cccn2)CC1 ZINC000616627535 351095500 /nfs/dbraw/zinc/09/55/00/351095500.db2.gz GRMYERFLFJOWFU-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](n2cccn2)CC1 ZINC000616627535 351095503 /nfs/dbraw/zinc/09/55/03/351095503.db2.gz GRMYERFLFJOWFU-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](n2ccnc2)CC1 ZINC000616627767 351096609 /nfs/dbraw/zinc/09/66/09/351096609.db2.gz LDRJZCKSXHAIOU-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](n2ccnc2)CC1 ZINC000616627767 351096613 /nfs/dbraw/zinc/09/66/13/351096613.db2.gz LDRJZCKSXHAIOU-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616628799 351099677 /nfs/dbraw/zinc/09/96/77/351099677.db2.gz RGPMJCPYNHHPFR-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](n2ccnc2)C1 ZINC000616628799 351099681 /nfs/dbraw/zinc/09/96/81/351099681.db2.gz RGPMJCPYNHHPFR-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2conn2)CC1 ZINC000616629286 351100196 /nfs/dbraw/zinc/10/01/96/351100196.db2.gz UZZHERNUDKXIOL-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2conn2)CC1 ZINC000616629286 351100198 /nfs/dbraw/zinc/10/01/98/351100198.db2.gz UZZHERNUDKXIOL-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP Nc1cccc([C@H]2CCOCC[N@@H+]2CC[NH3+])c1 ZINC000616657815 351199583 /nfs/dbraw/zinc/19/95/83/351199583.db2.gz PZYAKKFFEBWVTF-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1cccc([C@H]2CCOCC[N@H+]2CC[NH3+])c1 ZINC000616657815 351199585 /nfs/dbraw/zinc/19/95/85/351199585.db2.gz PZYAKKFFEBWVTF-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP [NH3+]CCN1CCOCC[C@@H]1c1c[nH+]c[nH]1 ZINC000616658340 351203863 /nfs/dbraw/zinc/20/38/63/351203863.db2.gz RQULIDYHGUHFJA-SNVBAGLBSA-N 2 2 210.281 0.132 10 0 BCAELP [NH3+]CCN1CCOCC[C@@H]1c1c[nH]c[nH+]1 ZINC000616658340 351203867 /nfs/dbraw/zinc/20/38/67/351203867.db2.gz RQULIDYHGUHFJA-SNVBAGLBSA-N 2 2 210.281 0.132 10 0 BCAELP Nc1ccc([C@H]2CCOCC[N@@H+]2CC[NH3+])cc1 ZINC000616658489 351204521 /nfs/dbraw/zinc/20/45/21/351204521.db2.gz UCTMBTLDSJSCFE-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccc([C@H]2CCOCC[N@H+]2CC[NH3+])cc1 ZINC000616658489 351204525 /nfs/dbraw/zinc/20/45/25/351204525.db2.gz UCTMBTLDSJSCFE-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP CC[NH2+][C@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000638095926 351976049 /nfs/dbraw/zinc/97/60/49/351976049.db2.gz CVPGNVFAJLCTLM-SECBINFHSA-N 2 2 222.292 0.223 10 0 BCAELP CNc1[nH+]cnc2c1cnn2CC[NH+](C)C ZINC000062367049 188303748 /nfs/dbraw/zinc/30/37/48/188303748.db2.gz DFFPDQBBAFICDY-UHFFFAOYSA-N 2 2 220.280 0.430 10 0 BCAELP CC(C)(C)[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1C(N)=O ZINC000043291999 188324920 /nfs/dbraw/zinc/32/49/20/188324920.db2.gz PKLMSSDYBINYFF-BDAKNGLRSA-N 2 2 213.325 0.310 10 0 BCAELP CC(C)(C)[C@H](C[NH3+])[N@H+]1CCC[C@@H]1C(N)=O ZINC000043291999 188324922 /nfs/dbraw/zinc/32/49/22/188324922.db2.gz PKLMSSDYBINYFF-BDAKNGLRSA-N 2 2 213.325 0.310 10 0 BCAELP C[NH2+][C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000044518789 188326205 /nfs/dbraw/zinc/32/62/05/188326205.db2.gz OAOTVJHOUVVKBS-GFCCVEGCSA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+][C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000044518789 188326207 /nfs/dbraw/zinc/32/62/07/188326207.db2.gz OAOTVJHOUVVKBS-GFCCVEGCSA-N 3 2 211.353 0.622 10 0 BCAELP C[N@H+]([C@H]1CCOC1)[C@@]1(C[NH3+])CCSC1 ZINC000226489000 363430371 /nfs/dbraw/zinc/43/03/71/363430371.db2.gz LIVPOPRVZADZAF-VHSXEESVSA-N 2 2 216.350 0.542 10 0 BCAELP C[N@@H+]([C@H]1CCOC1)[C@@]1(C[NH3+])CCSC1 ZINC000226489000 363430374 /nfs/dbraw/zinc/43/03/74/363430374.db2.gz LIVPOPRVZADZAF-VHSXEESVSA-N 2 2 216.350 0.542 10 0 BCAELP OC1CC(C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000623748877 355274906 /nfs/dbraw/zinc/27/49/06/355274906.db2.gz LKYRBSDTBRUDEF-UHFFFAOYSA-N 2 2 221.304 0.690 10 0 BCAELP CC[NH+]1CCN(CC(F)(F)C[NH3+])CC1 ZINC000379660421 538455929 /nfs/dbraw/zinc/45/59/29/538455929.db2.gz PDYCRIUZXFBWDE-UHFFFAOYSA-N 2 2 207.268 0.218 10 0 BCAELP Cc1noc([C@@]23C[NH2+]C[C@@H]2C[N@H+](C)CC3)n1 ZINC000675050902 538473321 /nfs/dbraw/zinc/47/33/21/538473321.db2.gz ZYHNQGKFGTUEPH-KOLCDFICSA-N 2 2 222.292 0.171 10 0 BCAELP Cc1noc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](C)CC3)n1 ZINC000675050902 538473323 /nfs/dbraw/zinc/47/33/23/538473323.db2.gz ZYHNQGKFGTUEPH-KOLCDFICSA-N 2 2 222.292 0.171 10 0 BCAELP [NH3+][C@H]1C=C(Cc2ccc(O)cc2)C[NH2+]C1 ZINC000675077432 538513361 /nfs/dbraw/zinc/51/33/61/538513361.db2.gz FAIUYKJYCRQIKE-NSHDSACASA-N 2 2 204.273 0.792 10 0 BCAELP Nc1cc(CC2=C[C@H]([NH3+])C[NH2+]C2)cc[nH+]1 ZINC000675077613 538514218 /nfs/dbraw/zinc/51/42/18/538514218.db2.gz OXVQHDFLCCLYFL-JTQLQIEISA-N 3 2 204.277 0.063 10 0 BCAELP Nc1cc(CC2=C[C@H]([NH3+])C[NH2+]C2)ccn1 ZINC000675077613 538514220 /nfs/dbraw/zinc/51/42/20/538514220.db2.gz OXVQHDFLCCLYFL-JTQLQIEISA-N 2 2 204.277 0.063 10 0 BCAELP COc1cncc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675078441 538514990 /nfs/dbraw/zinc/51/49/90/538514990.db2.gz PQMJMTSUUBTQDR-SNVBAGLBSA-N 2 2 205.261 0.404 10 0 BCAELP Cn1ncc(Cl)c1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675079103 538517674 /nfs/dbraw/zinc/51/76/74/538517674.db2.gz WIKDTKYXYRXIFV-SSDOTTSWSA-N 2 2 212.684 0.387 10 0 BCAELP CO[C@@H]1CC[N@H+](C[C@@H]2CSCC[NH2+]2)C1 ZINC000300042533 357176208 /nfs/dbraw/zinc/17/62/08/357176208.db2.gz QEUHDCPBDNPJHC-NXEZZACHSA-N 2 2 216.350 0.412 10 0 BCAELP CO[C@@H]1CC[N@@H+](C[C@@H]2CSCC[NH2+]2)C1 ZINC000300042533 357176212 /nfs/dbraw/zinc/17/62/12/357176212.db2.gz QEUHDCPBDNPJHC-NXEZZACHSA-N 2 2 216.350 0.412 10 0 BCAELP [NH3+][C@H]1C[C@@H]([NH+]2CCOCC2)C12CCOCC2 ZINC000685949199 538892490 /nfs/dbraw/zinc/89/24/90/538892490.db2.gz LQCHJNXEWSMWIL-WDEREUQCSA-N 2 2 226.320 0.215 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000168968283 358001930 /nfs/dbraw/zinc/00/19/30/358001930.db2.gz FMPVVBXVEZRJIF-VGMNWLOBSA-N 2 2 200.282 0.360 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000168968283 358001931 /nfs/dbraw/zinc/00/19/31/358001931.db2.gz FMPVVBXVEZRJIF-VGMNWLOBSA-N 2 2 200.282 0.360 10 0 BCAELP Cn1c2ccccc2[nH+]c1NC1C[NH2+]C1 ZINC000085256793 134264642 /nfs/dbraw/zinc/26/46/42/134264642.db2.gz XIRFFYONRZTUMX-UHFFFAOYSA-N 2 2 202.261 0.957 10 0 BCAELP CNc1cc(N(C)[C@H]2C[NH2+]CC[C@H]2C)nc[nH+]1 ZINC000584654035 358308358 /nfs/dbraw/zinc/30/83/58/358308358.db2.gz NAIMMQLKAHFIBW-ZJUUUORDSA-N 2 2 235.335 0.953 10 0 BCAELP O[C@@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCCC1 ZINC000309577240 491152041 /nfs/dbraw/zinc/15/20/41/491152041.db2.gz PCTSPERDDDNQAE-NSHDSACASA-N 2 2 230.327 0.925 10 0 BCAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000310080546 491160066 /nfs/dbraw/zinc/16/00/66/491160066.db2.gz CQIKXWXBHFIHMC-GFCCVEGCSA-N 2 2 244.379 0.969 10 0 BCAELP CC[N@H+]1CCO[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000310080546 491160067 /nfs/dbraw/zinc/16/00/67/491160067.db2.gz CQIKXWXBHFIHMC-GFCCVEGCSA-N 2 2 244.379 0.969 10 0 BCAELP COCCOCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359069 364079516 /nfs/dbraw/zinc/07/95/16/364079516.db2.gz KTUFGIONKJUSAE-NEPJUHHUSA-N 2 2 246.351 0.088 10 0 BCAELP COCCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359069 364079518 /nfs/dbraw/zinc/07/95/18/364079518.db2.gz KTUFGIONKJUSAE-NEPJUHHUSA-N 2 2 246.351 0.088 10 0 BCAELP [NH3+]CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000037027592 181356130 /nfs/dbraw/zinc/35/61/30/181356130.db2.gz AUQCKABDJMGFLA-UHFFFAOYSA-N 2 2 217.232 0.165 10 0 BCAELP COc1ccc[nH+]c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000630514110 364198516 /nfs/dbraw/zinc/19/85/16/364198516.db2.gz VDEKPCMKGBSPJE-IUCAKERBSA-N 2 2 223.276 0.082 10 0 BCAELP [NH3+]CC1(C(=O)N2CCn3cc[nH+]c3C2)CCCC1 ZINC000062252325 181358775 /nfs/dbraw/zinc/35/87/75/181358775.db2.gz ULBGCASFYWWXMQ-UHFFFAOYSA-N 2 2 248.330 0.744 10 0 BCAELP [NH3+]CC[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC000104353733 181392063 /nfs/dbraw/zinc/39/20/63/181392063.db2.gz GYXPDXXLPJZQBB-UHFFFAOYSA-N 2 2 248.330 0.235 10 0 BCAELP [NH3+]C[C@@H]1CCCCC[C@H]1[NH+]1CCS(=O)CC1 ZINC000049691376 181427040 /nfs/dbraw/zinc/42/70/40/181427040.db2.gz XGKHDLRLCWGRIX-NWDGAFQWSA-N 2 2 244.404 0.958 10 0 BCAELP [NH3+][C@H]1CC[N@H+](C[C@H]2CSCCS2)C1 ZINC000253039208 368318836 /nfs/dbraw/zinc/31/88/36/368318836.db2.gz ZSWFRZWHBHBUFC-IUCAKERBSA-N 2 2 218.391 0.868 10 0 BCAELP [NH3+][C@H]1CC[N@@H+](C[C@H]2CSCCS2)C1 ZINC000253039208 368318844 /nfs/dbraw/zinc/31/88/44/368318844.db2.gz ZSWFRZWHBHBUFC-IUCAKERBSA-N 2 2 218.391 0.868 10 0 BCAELP Nc1nc(N2CC[NH2+]CC2)c2ccsc2[nH+]1 ZINC000114323175 368935193 /nfs/dbraw/zinc/93/51/93/368935193.db2.gz DCUMWFWKYMVUKR-UHFFFAOYSA-N 2 2 235.316 0.683 10 0 BCAELP C[N@H+](C1CC1)[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225515971 371000317 /nfs/dbraw/zinc/00/03/17/371000317.db2.gz ZERVHBFNAFVTAO-ONGXEEELSA-N 2 2 211.309 0.206 10 0 BCAELP C[N@@H+](C1CC1)[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225515971 371000320 /nfs/dbraw/zinc/00/03/20/371000320.db2.gz ZERVHBFNAFVTAO-ONGXEEELSA-N 2 2 211.309 0.206 10 0 BCAELP CCCn1ncnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838057 372631643 /nfs/dbraw/zinc/63/16/43/372631643.db2.gz ZGOSFKPLWIZMAK-WDEREUQCSA-N 2 2 237.351 0.715 10 0 BCAELP CCCn1ncnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838057 372631645 /nfs/dbraw/zinc/63/16/45/372631645.db2.gz ZGOSFKPLWIZMAK-WDEREUQCSA-N 2 2 237.351 0.715 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838364 372632075 /nfs/dbraw/zinc/63/20/75/372632075.db2.gz MZOAHIQSNQSNLQ-ONGXEEELSA-N 2 2 237.351 0.633 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838364 372632080 /nfs/dbraw/zinc/63/20/80/372632080.db2.gz MZOAHIQSNQSNLQ-ONGXEEELSA-N 2 2 237.351 0.633 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838361 372632303 /nfs/dbraw/zinc/63/23/03/372632303.db2.gz MZOAHIQSNQSNLQ-GXSJLCMTSA-N 2 2 237.351 0.633 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838361 372632305 /nfs/dbraw/zinc/63/23/05/372632305.db2.gz MZOAHIQSNQSNLQ-GXSJLCMTSA-N 2 2 237.351 0.633 10 0 BCAELP C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631841999 372641771 /nfs/dbraw/zinc/64/17/71/372641771.db2.gz SUQCOOWFYNYEPY-PSASIEDQSA-N 2 2 236.319 0.974 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1C[NH3+] ZINC000631841999 372641776 /nfs/dbraw/zinc/64/17/76/372641776.db2.gz SUQCOOWFYNYEPY-PSASIEDQSA-N 2 2 236.319 0.974 10 0 BCAELP OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000177698590 183077115 /nfs/dbraw/zinc/07/71/15/183077115.db2.gz HNLFIZFVIFDFKS-NSHDSACASA-N 2 2 221.304 0.808 10 0 BCAELP OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000177698590 183077116 /nfs/dbraw/zinc/07/71/16/183077116.db2.gz HNLFIZFVIFDFKS-NSHDSACASA-N 2 2 221.304 0.808 10 0 BCAELP O[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]2[NH2+]CC[C@H]21 ZINC000083331792 183206871 /nfs/dbraw/zinc/20/68/71/183206871.db2.gz SGNZBLMJLIIMTI-MGPQQGTHSA-N 2 2 232.327 0.841 10 0 BCAELP O[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]2[NH2+]CC[C@H]21 ZINC000083331792 183206873 /nfs/dbraw/zinc/20/68/73/183206873.db2.gz SGNZBLMJLIIMTI-MGPQQGTHSA-N 2 2 232.327 0.841 10 0 BCAELP CCC[N@H+](CCN)CCCn1cc[nH+]c1 ZINC000049327528 169157770 /nfs/dbraw/zinc/15/77/70/169157770.db2.gz UBJNUTBRGPDTRP-UHFFFAOYSA-N 2 2 210.325 0.944 10 0 BCAELP CCC[N@@H+](CCN)CCCn1cc[nH+]c1 ZINC000049327528 169157772 /nfs/dbraw/zinc/15/77/72/169157772.db2.gz UBJNUTBRGPDTRP-UHFFFAOYSA-N 2 2 210.325 0.944 10 0 BCAELP CCC[N@H+](CC[C@H]1CCCC[NH2+]1)CC(=O)NC ZINC000042405124 169169914 /nfs/dbraw/zinc/16/99/14/169169914.db2.gz WFILGXCYSIDOAT-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[N@@H+](CC[C@H]1CCCC[NH2+]1)CC(=O)NC ZINC000042405124 169169915 /nfs/dbraw/zinc/16/99/15/169169915.db2.gz WFILGXCYSIDOAT-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000019425359 169201339 /nfs/dbraw/zinc/20/13/39/169201339.db2.gz HVLFVJZJXHLVEG-SNVBAGLBSA-N 2 2 243.376 0.203 10 0 BCAELP c1cc(NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000021021338 183357427 /nfs/dbraw/zinc/35/74/27/183357427.db2.gz OWYNTXKPMXLHRS-UHFFFAOYSA-N 2 2 207.277 0.826 10 0 BCAELP CCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCC)CC1 ZINC000037537103 169255904 /nfs/dbraw/zinc/25/59/04/169255904.db2.gz AGRIFQBYXSLFIH-LLVKDONJSA-N 2 2 241.379 0.975 10 0 BCAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(N)=O ZINC000054601564 169256089 /nfs/dbraw/zinc/25/60/89/169256089.db2.gz JYUYZQDDTLEMOE-YOGCLGLASA-N 2 2 239.363 0.857 10 0 BCAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(N)=O ZINC000054601564 169256092 /nfs/dbraw/zinc/25/60/92/169256092.db2.gz JYUYZQDDTLEMOE-YOGCLGLASA-N 2 2 239.363 0.857 10 0 BCAELP CCC[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000104417203 169264413 /nfs/dbraw/zinc/26/44/13/169264413.db2.gz LXPMXHPPJSTQGH-GFCCVEGCSA-N 2 2 241.379 0.786 10 0 BCAELP CCC[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000104417203 169264414 /nfs/dbraw/zinc/26/44/14/169264414.db2.gz LXPMXHPPJSTQGH-GFCCVEGCSA-N 2 2 241.379 0.786 10 0 BCAELP CCC[NH2+]C[C@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC000104421519 169264702 /nfs/dbraw/zinc/26/47/02/169264702.db2.gz BQJPIFCGZWWJQU-NEPJUHHUSA-N 2 2 241.379 0.962 10 0 BCAELP CCC[NH2+]C[C@H]1CCC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC000104421519 169264704 /nfs/dbraw/zinc/26/47/04/169264704.db2.gz BQJPIFCGZWWJQU-NEPJUHHUSA-N 2 2 241.379 0.962 10 0 BCAELP Clc1nccnc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000095070375 384336515 /nfs/dbraw/zinc/33/65/15/384336515.db2.gz DSRFVALTCSWCRS-MRVPVSSYSA-N 2 2 226.711 0.829 10 0 BCAELP [NH3+]CC1CCN(c2[nH+]cccc2O)CC1 ZINC000095072695 384345796 /nfs/dbraw/zinc/34/57/96/384345796.db2.gz BJUMFBLDXXBWDN-UHFFFAOYSA-N 2 2 207.277 0.962 10 0 BCAELP O=C(C[NH2+]C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000095072813 384345930 /nfs/dbraw/zinc/34/59/30/384345930.db2.gz UPZXEYOSRJCUFB-MRVPVSSYSA-N 2 2 225.317 0.525 10 0 BCAELP CC[C@H]([NH3+])C[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000095930136 384410991 /nfs/dbraw/zinc/41/09/91/384410991.db2.gz BRSLWKWNVWIWSD-JGVFFNPUSA-N 2 2 202.298 0.783 10 0 BCAELP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647512641 384412312 /nfs/dbraw/zinc/41/23/12/384412312.db2.gz NYHGOZNMGGKHKD-HBNTYKKESA-N 2 2 220.320 0.887 10 0 BCAELP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647512641 384412320 /nfs/dbraw/zinc/41/23/20/384412320.db2.gz NYHGOZNMGGKHKD-HBNTYKKESA-N 2 2 220.320 0.887 10 0 BCAELP Cc1nn(C)cc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000335644201 384415710 /nfs/dbraw/zinc/41/57/10/384415710.db2.gz PIHMBZHSTGQPRA-CMPLNLGQSA-N 2 2 222.336 0.959 10 0 BCAELP C[NH+](C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176184713 384453799 /nfs/dbraw/zinc/45/37/99/384453799.db2.gz FYNNXBMAHWBELH-LLVKDONJSA-N 2 2 236.319 0.436 10 0 BCAELP C[C@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000149477003 384478307 /nfs/dbraw/zinc/47/83/07/384478307.db2.gz FPVAKKODADSAIF-KOLCDFICSA-N 2 2 238.335 0.753 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309817390 384636367 /nfs/dbraw/zinc/63/63/67/384636367.db2.gz VNRRZQMKWIWNPD-VHSXEESVSA-N 2 2 222.292 0.140 10 0 BCAELP Cc1cc(N2CC[C@H]3OCC[NH2+][C@H]3C2)nc[nH+]1 ZINC000404075103 384893345 /nfs/dbraw/zinc/89/33/45/384893345.db2.gz QITAEWOLPFKQRS-WDEREUQCSA-N 2 2 234.303 0.352 10 0 BCAELP C[C@H]1C[C@@]([NH2+]C2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156468368 385452325 /nfs/dbraw/zinc/45/23/25/385452325.db2.gz SCLZUSFMPOAEMW-GZMMTYOYSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@H]1C[C@@]([NH2+]C2CC2)(C(N)=O)CC[N@H+]1C ZINC000156468368 385452326 /nfs/dbraw/zinc/45/23/26/385452326.db2.gz SCLZUSFMPOAEMW-GZMMTYOYSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@@H]([NH3+])C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000211278108 385678806 /nfs/dbraw/zinc/67/88/06/385678806.db2.gz OIFHBCFJMGXTFY-MWLCHTKSSA-N 2 2 222.288 0.794 10 0 BCAELP O=C1CC[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000251419331 385954530 /nfs/dbraw/zinc/95/45/30/385954530.db2.gz SAGZMRAWSUIKFV-RYUDHWBXSA-N 2 2 237.347 0.293 10 0 BCAELP O=C1CC[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000251419331 385954534 /nfs/dbraw/zinc/95/45/34/385954534.db2.gz SAGZMRAWSUIKFV-RYUDHWBXSA-N 2 2 237.347 0.293 10 0 BCAELP CCn1cc[nH+]c1Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000310093929 386097281 /nfs/dbraw/zinc/09/72/81/386097281.db2.gz KPBVFJGETWYEFM-VIFPVBQESA-N 2 2 234.307 0.823 10 0 BCAELP Nc1ccccc1[C@@H]1COCCC[N@@H+]1CC[NH3+] ZINC000616644302 386152738 /nfs/dbraw/zinc/15/27/38/386152738.db2.gz AZRKZCKJQJVOEK-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@@H]1COCCC[N@H+]1CC[NH3+] ZINC000616644302 386152745 /nfs/dbraw/zinc/15/27/45/386152745.db2.gz AZRKZCKJQJVOEK-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414353191 386139269 /nfs/dbraw/zinc/13/92/69/386139269.db2.gz YBWIGIUMXFFCPE-GRYCIOLGSA-N 2 2 211.353 0.620 10 0 BCAELP CC[N@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000414353191 386139275 /nfs/dbraw/zinc/13/92/75/386139275.db2.gz YBWIGIUMXFFCPE-GRYCIOLGSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000414353191 386139280 /nfs/dbraw/zinc/13/92/80/386139280.db2.gz YBWIGIUMXFFCPE-GRYCIOLGSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000414353191 386139285 /nfs/dbraw/zinc/13/92/85/386139285.db2.gz YBWIGIUMXFFCPE-GRYCIOLGSA-N 2 2 211.353 0.620 10 0 BCAELP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21)C1CC1 ZINC000336647920 386258449 /nfs/dbraw/zinc/25/84/49/386258449.db2.gz FXBNQJIZTMIAOK-KGYLQXTDSA-N 2 2 224.348 0.926 10 0 BCAELP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21)C1CC1 ZINC000336647920 386258456 /nfs/dbraw/zinc/25/84/56/386258456.db2.gz FXBNQJIZTMIAOK-KGYLQXTDSA-N 2 2 224.348 0.926 10 0 BCAELP C[NH+](C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21)C1CC1 ZINC000336647920 386258458 /nfs/dbraw/zinc/25/84/58/386258458.db2.gz FXBNQJIZTMIAOK-KGYLQXTDSA-N 2 2 224.348 0.926 10 0 BCAELP C[NH+](C[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]21)C1CC1 ZINC000336647920 386258464 /nfs/dbraw/zinc/25/84/64/386258464.db2.gz FXBNQJIZTMIAOK-KGYLQXTDSA-N 2 2 224.348 0.926 10 0 BCAELP c1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[NH2+]C1)O2 ZINC000094075070 386444308 /nfs/dbraw/zinc/44/43/08/386444308.db2.gz AAGLAWANIZFAHU-QWRGUYRKSA-N 2 2 234.299 0.778 10 0 BCAELP CCc1nnc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1C ZINC000519651843 386519527 /nfs/dbraw/zinc/51/95/27/386519527.db2.gz GWRNEADEMPYODS-NXEZZACHSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1C ZINC000519651843 386519533 /nfs/dbraw/zinc/51/95/33/386519533.db2.gz GWRNEADEMPYODS-NXEZZACHSA-N 2 2 237.351 0.547 10 0 BCAELP C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000062910607 386533207 /nfs/dbraw/zinc/53/32/07/386533207.db2.gz GBMPFCOTDREEMZ-GFCCVEGCSA-N 2 2 234.303 0.225 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCOC1)C2 ZINC000336760523 386732901 /nfs/dbraw/zinc/73/29/01/386732901.db2.gz MFIMBEAIKUMTCA-IUCAKERBSA-N 2 2 207.277 0.646 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC000336760523 386732909 /nfs/dbraw/zinc/73/29/09/386732909.db2.gz MFIMBEAIKUMTCA-IUCAKERBSA-N 2 2 207.277 0.646 10 0 BCAELP CCN1C(=O)CC[C@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000536948758 387160327 /nfs/dbraw/zinc/16/03/27/387160327.db2.gz XGLBNUGUBPMKPB-KOLCDFICSA-N 2 2 236.319 0.678 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NCC1CC[NH2+]CC1 ZINC000044509219 387512079 /nfs/dbraw/zinc/51/20/79/387512079.db2.gz BBTUFLXTVMCROO-UHFFFAOYSA-N 2 2 246.318 0.775 10 0 BCAELP COc1ccc[nH+]c1N1CCCO[C@H](C[NH3+])C1 ZINC000313355993 387886610 /nfs/dbraw/zinc/88/66/10/387886610.db2.gz OGZXTGUNAAYHMV-SNVBAGLBSA-N 2 2 237.303 0.644 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013088 388082734 /nfs/dbraw/zinc/08/27/34/388082734.db2.gz KLEVYSYAAVYGNF-DTWKUNHWSA-N 2 2 222.292 0.164 10 0 BCAELP CO[C@@H]1C[C@H](CO)[N@H+](Cc2c[nH+]cn2C)C1 ZINC000344153933 388505911 /nfs/dbraw/zinc/50/59/11/388505911.db2.gz VWPRHCYTDHKEJY-MWLCHTKSSA-N 2 2 225.292 0.002 10 0 BCAELP CO[C@@H]1C[C@H](CO)[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000344153933 388505913 /nfs/dbraw/zinc/50/59/13/388505913.db2.gz VWPRHCYTDHKEJY-MWLCHTKSSA-N 2 2 225.292 0.002 10 0 BCAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000261574095 135216124 /nfs/dbraw/zinc/21/61/24/135216124.db2.gz JAYCSAHPLPAKKA-ZJUUUORDSA-N 2 2 209.297 0.262 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1C ZINC000565540266 388952145 /nfs/dbraw/zinc/95/21/45/388952145.db2.gz OBIXCKZOHKUVRS-GARJFASQSA-N 2 2 249.362 0.547 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1C ZINC000565540266 388952143 /nfs/dbraw/zinc/95/21/43/388952143.db2.gz OBIXCKZOHKUVRS-GARJFASQSA-N 2 2 249.362 0.547 10 0 BCAELP Cc1nc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc[nH+]1 ZINC000054935541 132364998 /nfs/dbraw/zinc/36/49/98/132364998.db2.gz RNTCQHJSCRLDTK-RKDXNWHRSA-N 2 2 206.293 0.972 10 0 BCAELP Cc1cccc(N2CC[NH+](C[C@@H](O)C[NH3+])CC2)c1 ZINC000019263248 132324277 /nfs/dbraw/zinc/32/42/77/132324277.db2.gz NZLFMCNWATUJMA-AWEZNQCLSA-N 2 2 249.358 0.437 10 0 BCAELP Cc1cc(N)c[nH+]c1N1CC[NH+](CCO)CC1 ZINC000036241570 132341185 /nfs/dbraw/zinc/34/11/85/132341185.db2.gz KXGNENCPRKTYAC-UHFFFAOYSA-N 2 2 236.319 0.087 10 0 BCAELP CSc1nc(N2CC[NH+](C)CC2)cc(N)[nH+]1 ZINC000039641301 132347058 /nfs/dbraw/zinc/34/70/58/132347058.db2.gz AWWRZIJBZYZYHE-UHFFFAOYSA-N 2 2 239.348 0.533 10 0 BCAELP Cc1ccc(N2CCO[C@@H](C[NH3+])C2)[nH+]c1 ZINC000041059063 132349418 /nfs/dbraw/zinc/34/94/18/132349418.db2.gz ILQLGQOCGODKII-JTQLQIEISA-N 2 2 207.277 0.554 10 0 BCAELP CC(C)c1cc(N)nc(N2CC[NH+](C)CC2)[nH+]1 ZINC000050846596 132359460 /nfs/dbraw/zinc/35/94/60/132359460.db2.gz YGZNSMHPCROBFJ-UHFFFAOYSA-N 2 2 235.335 0.934 10 0 BCAELP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418474 132362250 /nfs/dbraw/zinc/36/22/50/132362250.db2.gz WBGIGWWNOOLHOS-GFCCVEGCSA-N 2 2 249.362 0.597 10 0 BCAELP [NH3+]Cc1cc(N2CCC[C@H](CO)C2)cc[nH+]1 ZINC000060382282 132368699 /nfs/dbraw/zinc/36/86/99/132368699.db2.gz ZAAVQMIWQXOZMS-JTQLQIEISA-N 2 2 221.304 0.749 10 0 BCAELP [NH3+]Cc1cc(N2CCC(O)CC2)cc[nH+]1 ZINC000060382285 132368770 /nfs/dbraw/zinc/36/87/70/132368770.db2.gz BJQPIXYHBNAZLS-UHFFFAOYSA-N 2 2 207.277 0.501 10 0 BCAELP [NH3+]C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000086725246 135095328 /nfs/dbraw/zinc/09/53/28/135095328.db2.gz PYZKCRFTPHALFH-UHFFFAOYSA-N 3 2 211.353 0.942 10 0 BCAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726982 135103013 /nfs/dbraw/zinc/10/30/13/135103013.db2.gz JUOFMTDZVJMFKO-HBNTYKKESA-N 2 2 227.352 0.569 10 0 BCAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726982 135103015 /nfs/dbraw/zinc/10/30/15/135103015.db2.gz JUOFMTDZVJMFKO-HBNTYKKESA-N 2 2 227.352 0.569 10 0 BCAELP C[C@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257800682 135141381 /nfs/dbraw/zinc/14/13/81/135141381.db2.gz YLVIGKLJGVMZHT-QWRGUYRKSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257800682 135141382 /nfs/dbraw/zinc/14/13/82/135141382.db2.gz YLVIGKLJGVMZHT-QWRGUYRKSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1C[NH+](Cc2noc(C[NH3+])n2)C[C@H]1C ZINC000261532029 135161691 /nfs/dbraw/zinc/16/16/91/135161691.db2.gz IURQOPYQWAZTNB-HTQZYQBOSA-N 2 2 210.281 0.616 10 0 BCAELP CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261532810 135162991 /nfs/dbraw/zinc/16/29/91/135162991.db2.gz KFWHREVUEYZEQP-LPEHRKFASA-N 2 2 212.293 0.219 10 0 BCAELP CCOC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261532810 135162992 /nfs/dbraw/zinc/16/29/92/135162992.db2.gz KFWHREVUEYZEQP-LPEHRKFASA-N 2 2 212.293 0.219 10 0 BCAELP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261533626 135165204 /nfs/dbraw/zinc/16/52/04/135165204.db2.gz IMXDCSJCXVZFGI-DCAQKATOSA-N 2 2 227.352 0.522 10 0 BCAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261533626 135165205 /nfs/dbraw/zinc/16/52/05/135165205.db2.gz IMXDCSJCXVZFGI-DCAQKATOSA-N 2 2 227.352 0.522 10 0 BCAELP C[C@@H]1CCN(Cc2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000261534996 135168924 /nfs/dbraw/zinc/16/89/24/135168924.db2.gz VKFXQYYJHKKHDF-MNOVXSKESA-N 2 2 222.336 0.979 10 0 BCAELP C[C@@H]1C[C@H](C)C[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261538609 135176542 /nfs/dbraw/zinc/17/65/42/135176542.db2.gz YSJWKKYGLFEVPI-JGVFFNPUSA-N 2 2 210.281 0.759 10 0 BCAELP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261538609 135176543 /nfs/dbraw/zinc/17/65/43/135176543.db2.gz YSJWKKYGLFEVPI-JGVFFNPUSA-N 2 2 210.281 0.759 10 0 BCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261560757 135201585 /nfs/dbraw/zinc/20/15/85/135201585.db2.gz UUUGAFZTGKZAJM-NWDGAFQWSA-N 2 2 239.363 0.300 10 0 BCAELP CC(C)CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261560757 135201587 /nfs/dbraw/zinc/20/15/87/135201587.db2.gz UUUGAFZTGKZAJM-NWDGAFQWSA-N 2 2 239.363 0.300 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]12 ZINC000261571832 135213902 /nfs/dbraw/zinc/21/39/02/135213902.db2.gz LILGWQKLFSSYKK-IJLUTSLNSA-N 2 2 248.330 0.469 10 0 BCAELP Cn1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261573365 135214627 /nfs/dbraw/zinc/21/46/27/135214627.db2.gz IRWWEWJGNOEXGA-HBNTYKKESA-N 2 2 220.320 0.589 10 0 BCAELP Cn1ccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261573365 135214629 /nfs/dbraw/zinc/21/46/29/135214629.db2.gz IRWWEWJGNOEXGA-HBNTYKKESA-N 2 2 220.320 0.589 10 0 BCAELP Cc1[nH+]ccn1CC[NH+]1CC(O)(C2CC2)C1 ZINC000084377278 135215613 /nfs/dbraw/zinc/21/56/13/135215613.db2.gz FXTKZXSTPXMGCS-UHFFFAOYSA-N 2 2 221.304 0.648 10 0 BCAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000261574095 135216125 /nfs/dbraw/zinc/21/61/25/135216125.db2.gz JAYCSAHPLPAKKA-ZJUUUORDSA-N 2 2 209.297 0.262 10 0 BCAELP CC(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261588869 135229366 /nfs/dbraw/zinc/22/93/66/135229366.db2.gz SRUYEKIYTXCDMO-SNVBAGLBSA-N 2 2 227.352 0.570 10 0 BCAELP CC(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261588869 135229367 /nfs/dbraw/zinc/22/93/67/135229367.db2.gz SRUYEKIYTXCDMO-SNVBAGLBSA-N 2 2 227.352 0.570 10 0 BCAELP Cc1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261591142 135231750 /nfs/dbraw/zinc/23/17/50/135231750.db2.gz VCABHQFCMPJOLT-LPEHRKFASA-N 2 2 222.292 0.547 10 0 BCAELP Cc1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261591142 135231752 /nfs/dbraw/zinc/23/17/52/135231752.db2.gz VCABHQFCMPJOLT-LPEHRKFASA-N 2 2 222.292 0.547 10 0 BCAELP COC(=O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C[C@@H]1C ZINC000261787819 135252783 /nfs/dbraw/zinc/25/27/83/135252783.db2.gz FZCRIQYIYOKVQG-UWVGGRQHSA-N 2 2 228.336 0.855 10 0 BCAELP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C[C@@H]1C ZINC000261787819 135252785 /nfs/dbraw/zinc/25/27/85/135252785.db2.gz FZCRIQYIYOKVQG-UWVGGRQHSA-N 2 2 228.336 0.855 10 0 BCAELP CCc1nc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262188954 135284861 /nfs/dbraw/zinc/28/48/61/135284861.db2.gz YEVIBOPIGLRTDW-WCBMZHEXSA-N 2 2 241.360 0.375 10 0 BCAELP CCc1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262188951 135284889 /nfs/dbraw/zinc/28/48/89/135284889.db2.gz YEVIBOPIGLRTDW-PSASIEDQSA-N 2 2 241.360 0.375 10 0 BCAELP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nc1 ZINC000263166170 135336375 /nfs/dbraw/zinc/33/63/75/135336375.db2.gz FFQXTXHPBNOWQO-CMPLNLGQSA-N 2 2 221.304 0.060 10 0 BCAELP CC(C)n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263168219 135336927 /nfs/dbraw/zinc/33/69/27/135336927.db2.gz FKSFTOGILZWBRO-ZYHUDNBSSA-N 2 2 238.335 0.134 10 0 BCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)cccc1F ZINC000263246642 135343036 /nfs/dbraw/zinc/34/30/36/135343036.db2.gz PIVJYVNCNRXSDA-QPUJVOFHSA-N 2 2 242.269 0.635 10 0 BCAELP CCc1noc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000383693714 398033972 /nfs/dbraw/zinc/03/39/72/398033972.db2.gz QYJKMVKFAZHNQM-GUBZILKMSA-N 2 2 236.319 0.801 10 0 BCAELP CCc1noc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000383693714 398033975 /nfs/dbraw/zinc/03/39/75/398033975.db2.gz QYJKMVKFAZHNQM-GUBZILKMSA-N 2 2 236.319 0.801 10 0 BCAELP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649588400 397980040 /nfs/dbraw/zinc/98/00/40/397980040.db2.gz MHBOJQMOTCNZNU-JHJVBQTASA-N 2 2 242.363 0.864 10 0 BCAELP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649588400 397980041 /nfs/dbraw/zinc/98/00/41/397980041.db2.gz MHBOJQMOTCNZNU-JHJVBQTASA-N 2 2 242.363 0.864 10 0 BCAELP CC(C)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607984 167049621 /nfs/dbraw/zinc/04/96/21/167049621.db2.gz QNKWFWFLEPDRDZ-LBPRGKRZSA-N 2 2 241.379 0.975 10 0 BCAELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000395339004 410846418 /nfs/dbraw/zinc/84/64/18/410846418.db2.gz YLLLICCWQHXXSD-GMTAPVOTSA-N 2 2 200.326 0.687 10 0 BCAELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000395339004 410846420 /nfs/dbraw/zinc/84/64/20/410846420.db2.gz YLLLICCWQHXXSD-GMTAPVOTSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC000038122039 167002315 /nfs/dbraw/zinc/00/23/15/167002315.db2.gz IGSNLIFKSGTFPR-UHFFFAOYSA-N 2 2 200.326 0.689 10 0 BCAELP CC(C)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000042607984 167049620 /nfs/dbraw/zinc/04/96/20/167049620.db2.gz QNKWFWFLEPDRDZ-LBPRGKRZSA-N 2 2 241.379 0.975 10 0 BCAELP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000037249541 167079392 /nfs/dbraw/zinc/07/93/92/167079392.db2.gz WFRZUZFQMVDSLK-SNVBAGLBSA-N 2 2 227.352 0.583 10 0 BCAELP CC(C)[NH2+]CC[NH+]1CCC(C(N)=O)CC1 ZINC000043500937 167104521 /nfs/dbraw/zinc/10/45/21/167104521.db2.gz JCISLIUOLOZXCO-UHFFFAOYSA-N 2 2 213.325 0.182 10 0 BCAELP CC(C)[NH2+]Cc1c[nH]c(N2CC[NH+](C)CC2)n1 ZINC000062821341 167121216 /nfs/dbraw/zinc/12/12/16/167121216.db2.gz BZEPGGVEATWWNQ-UHFFFAOYSA-N 2 2 237.351 0.660 10 0 BCAELP CC(C)S(=O)(=O)CCC[N@H+](C)CCC[NH3+] ZINC000309372110 410928538 /nfs/dbraw/zinc/92/85/38/410928538.db2.gz CBWNHTOEVWAKMB-UHFFFAOYSA-N 2 2 236.381 0.480 10 0 BCAELP CC(C)S(=O)(=O)CCC[N@@H+](C)CCC[NH3+] ZINC000309372110 410928543 /nfs/dbraw/zinc/92/85/43/410928543.db2.gz CBWNHTOEVWAKMB-UHFFFAOYSA-N 2 2 236.381 0.480 10 0 BCAELP CCC[N@H+](Cc1noc(C[NH3+])n1)C1CC1 ZINC000300929061 411127903 /nfs/dbraw/zinc/12/79/03/411127903.db2.gz QSTQYYNGKDWEPX-UHFFFAOYSA-N 2 2 210.281 0.903 10 0 BCAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)C1CC1 ZINC000300929061 411127905 /nfs/dbraw/zinc/12/79/05/411127905.db2.gz QSTQYYNGKDWEPX-UHFFFAOYSA-N 2 2 210.281 0.903 10 0 BCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H](C)O ZINC000049555750 411240733 /nfs/dbraw/zinc/24/07/33/411240733.db2.gz UIPATMXMVHCQPG-GHMZBOCLSA-N 2 2 202.342 0.933 10 0 BCAELP Nc1cc([C@H]2CCC[N@H+](CC[NH3+])CC2)[nH]n1 ZINC000616630425 411287764 /nfs/dbraw/zinc/28/77/64/411287764.db2.gz XPEBVRWCWJOPIK-VIFPVBQESA-N 2 2 223.324 0.520 10 0 BCAELP Nc1cc([C@H]2CCC[N@@H+](CC[NH3+])CC2)[nH]n1 ZINC000616630425 411287767 /nfs/dbraw/zinc/28/77/67/411287767.db2.gz XPEBVRWCWJOPIK-VIFPVBQESA-N 2 2 223.324 0.520 10 0 BCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21 ZINC000653584480 411425196 /nfs/dbraw/zinc/42/51/96/411425196.db2.gz YSCIIGOMTJKOEW-FRRDWIJNSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21 ZINC000653584480 411425198 /nfs/dbraw/zinc/42/51/98/411425198.db2.gz YSCIIGOMTJKOEW-FRRDWIJNSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000653584480 411425200 /nfs/dbraw/zinc/42/52/00/411425200.db2.gz YSCIIGOMTJKOEW-FRRDWIJNSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000653584480 411425202 /nfs/dbraw/zinc/42/52/02/411425202.db2.gz YSCIIGOMTJKOEW-FRRDWIJNSA-N 2 2 242.363 0.410 10 0 BCAELP CCNC(=O)C[N@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000049726182 170054020 /nfs/dbraw/zinc/05/40/20/170054020.db2.gz CKVWPYGGQHOSLC-ZDUSSCGKSA-N 2 2 249.358 0.797 10 0 BCAELP CCNC(=O)C[N@@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000049726182 170054022 /nfs/dbraw/zinc/05/40/22/170054022.db2.gz CKVWPYGGQHOSLC-ZDUSSCGKSA-N 2 2 249.358 0.797 10 0 BCAELP CCNC(=O)C[N@H+](CC)CC[C@H]1CCCC[NH2+]1 ZINC000042369473 170056837 /nfs/dbraw/zinc/05/68/37/170056837.db2.gz IAKQNTLEZYLFLH-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCNC(=O)C[N@@H+](CC)CC[C@H]1CCCC[NH2+]1 ZINC000042369473 170056839 /nfs/dbraw/zinc/05/68/39/170056839.db2.gz IAKQNTLEZYLFLH-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000037536999 170109076 /nfs/dbraw/zinc/10/90/76/170109076.db2.gz JRFHGLZTFHDKPF-SNVBAGLBSA-N 2 2 239.363 0.727 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC000037469363 170109630 /nfs/dbraw/zinc/10/96/30/170109630.db2.gz FFRLMTYVTAWNNE-VIFPVBQESA-N 2 2 213.325 0.195 10 0 BCAELP CC[NH2+]CCCNc1[nH+]cnc2c1cnn2C ZINC000038043389 170112630 /nfs/dbraw/zinc/11/26/30/170112630.db2.gz FYPKWTQQAJCRDJ-UHFFFAOYSA-N 2 2 234.307 0.775 10 0 BCAELP CC[NH2+]C[C@H](C)C(=O)NCCc1[nH+]ccn1C ZINC000061266933 170121812 /nfs/dbraw/zinc/12/18/12/170121812.db2.gz XWLIUNMZXJOSOL-JTQLQIEISA-N 2 2 238.335 0.324 10 0 BCAELP CC[NH2+]C[C@H]1CCCN1CC[NH+]1CCOCC1 ZINC000053648478 170122330 /nfs/dbraw/zinc/12/23/30/170122330.db2.gz MVSLVYGSJWYVPL-CYBMUJFWSA-N 2 2 241.379 0.393 10 0 BCAELP CC[NH2+][C@@H](C)CC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254514 170139311 /nfs/dbraw/zinc/13/93/11/170139311.db2.gz COWCGGKJCMOKNQ-JTQLQIEISA-N 2 2 236.319 0.613 10 0 BCAELP CCOC(=O)N1CC[NH+]([C@@H](CC)CC[NH3+])CC1 ZINC000037039446 170239865 /nfs/dbraw/zinc/23/98/65/170239865.db2.gz KECBZHAYLCVGJE-NSHDSACASA-N 2 2 243.351 0.888 10 0 BCAELP CCOC(=O)[C@@H]([NH3+])Cc1c[nH+]c(CC)[nH]1 ZINC000044366859 170253521 /nfs/dbraw/zinc/25/35/21/170253521.db2.gz RZMKFKBOYKXTFP-QMMMGPOBSA-N 2 2 211.265 0.405 10 0 BCAELP CN1C[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657696698 411581284 /nfs/dbraw/zinc/58/12/84/411581284.db2.gz LRDMBTSQQRRZLZ-JTQLQIEISA-N 2 2 248.330 0.397 10 0 BCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CCCO1 ZINC000133878357 411993891 /nfs/dbraw/zinc/99/38/91/411993891.db2.gz FVLLKFXNBLTNAZ-AGIUHOORSA-N 2 2 242.363 0.912 10 0 BCAELP CC[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCOCC1 ZINC000036325932 171105751 /nfs/dbraw/zinc/10/57/51/171105751.db2.gz BGRWHPZGNMXSBS-LLVKDONJSA-N 2 2 228.336 0.605 10 0 BCAELP CC[C@@H]1COCC[N@H+]1C1(C[NH3+])CCOCC1 ZINC000036325932 171105754 /nfs/dbraw/zinc/10/57/54/171105754.db2.gz BGRWHPZGNMXSBS-LLVKDONJSA-N 2 2 228.336 0.605 10 0 BCAELP CC[C@@](C)(C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062249343 171167606 /nfs/dbraw/zinc/16/76/06/171167606.db2.gz DFZAONRFTZCSPI-NSHDSACASA-N 2 2 208.309 0.826 10 0 BCAELP CC[C@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC000038116237 171339559 /nfs/dbraw/zinc/33/95/59/171339559.db2.gz KGGVGNNXUQOSSK-JTQLQIEISA-N 2 2 200.326 0.831 10 0 BCAELP CC[C@H](C)[NH2+][C@]1(CO)C[NH+]2CCC1CC2 ZINC000038116629 171349846 /nfs/dbraw/zinc/34/98/46/171349846.db2.gz YRKKGSBDRQFXNR-JQWIXIFHSA-N 2 2 212.337 0.831 10 0 BCAELP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)OC ZINC000362975593 171369010 /nfs/dbraw/zinc/36/90/10/171369010.db2.gz GIRBFQDQFOYOBR-HBNTYKKESA-N 2 2 200.326 0.999 10 0 BCAELP CC[C@@H]([NH2+]C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000662468142 412185180 /nfs/dbraw/zinc/18/51/80/412185180.db2.gz ASIGVSLHCVODSW-SECBINFHSA-N 2 2 222.292 0.223 10 0 BCAELP CCc1[nH+]c2ccccc2n1C[C@@H]([NH3+])C(N)=O ZINC000062808058 172013307 /nfs/dbraw/zinc/01/33/07/172013307.db2.gz AKQSGVBAAIIPJM-MRVPVSSYSA-N 2 2 232.287 0.411 10 0 BCAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000044532674 173040840 /nfs/dbraw/zinc/04/08/40/173040840.db2.gz JGPJVXZPCLMGNM-VXGBXAGGSA-N 3 2 211.353 0.670 10 0 BCAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000044532674 173040842 /nfs/dbraw/zinc/04/08/42/173040842.db2.gz JGPJVXZPCLMGNM-VXGBXAGGSA-N 3 2 211.353 0.670 10 0 BCAELP C[NH+]1CCN(C(=O)C[NH2+]CC2CCC2)CC1 ZINC000037180593 173067048 /nfs/dbraw/zinc/06/70/48/173067048.db2.gz BQRYYWKVPOZYDA-UHFFFAOYSA-N 2 2 225.336 0.150 10 0 BCAELP C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000082348635 173070134 /nfs/dbraw/zinc/07/01/34/173070134.db2.gz KQQCWBGPQUEVTQ-VIFPVBQESA-N 2 2 229.324 0.496 10 0 BCAELP C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000082348635 173070135 /nfs/dbraw/zinc/07/01/35/173070135.db2.gz KQQCWBGPQUEVTQ-VIFPVBQESA-N 2 2 229.324 0.496 10 0 BCAELP CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000034080450 173086962 /nfs/dbraw/zinc/08/69/62/173086962.db2.gz XINSGXBPTWEPAG-ZDUSSCGKSA-N 2 2 219.332 0.761 10 0 BCAELP CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000034080450 173086963 /nfs/dbraw/zinc/08/69/63/173086963.db2.gz XINSGXBPTWEPAG-ZDUSSCGKSA-N 2 2 219.332 0.761 10 0 BCAELP C[NH+]1CCN(Nc2cc(Cl)nc(N)[nH+]2)CC1 ZINC000058825059 173091899 /nfs/dbraw/zinc/09/18/99/173091899.db2.gz BPBCLCVMNPHTMX-UHFFFAOYSA-N 2 2 242.714 0.287 10 0 BCAELP C[NH+]1CCN(Nc2ccc(Cl)n[nH+]2)CC1 ZINC000040828145 173092537 /nfs/dbraw/zinc/09/25/37/173092537.db2.gz IXVRPYOKSHDLAT-UHFFFAOYSA-N 2 2 227.699 0.704 10 0 BCAELP C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000112332693 173107863 /nfs/dbraw/zinc/10/78/63/173107863.db2.gz FWBPNGXWIDGKKO-LLVKDONJSA-N 2 2 240.351 0.374 10 0 BCAELP C[N@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000112332693 173107865 /nfs/dbraw/zinc/10/78/65/173107865.db2.gz FWBPNGXWIDGKKO-LLVKDONJSA-N 2 2 240.351 0.374 10 0 BCAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822142 173113222 /nfs/dbraw/zinc/11/32/22/173113222.db2.gz YOFKGTRXTLGWHO-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822142 173113224 /nfs/dbraw/zinc/11/32/24/173113224.db2.gz YOFKGTRXTLGWHO-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822142 173113227 /nfs/dbraw/zinc/11/32/27/173113227.db2.gz YOFKGTRXTLGWHO-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822142 173113228 /nfs/dbraw/zinc/11/32/28/173113228.db2.gz YOFKGTRXTLGWHO-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+]1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037484799 173114754 /nfs/dbraw/zinc/11/47/54/173114754.db2.gz MNBHAEAQKOTHRX-JTQLQIEISA-N 2 2 246.376 0.105 10 0 BCAELP C[N@H+]1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037484799 173114758 /nfs/dbraw/zinc/11/47/58/173114758.db2.gz MNBHAEAQKOTHRX-JTQLQIEISA-N 2 2 246.376 0.105 10 0 BCAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000096986188 173148526 /nfs/dbraw/zinc/14/85/26/173148526.db2.gz WAFAMYZWUZONFY-UWVGGRQHSA-N 2 2 243.351 0.933 10 0 BCAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000096986188 173148527 /nfs/dbraw/zinc/14/85/27/173148527.db2.gz WAFAMYZWUZONFY-UWVGGRQHSA-N 2 2 243.351 0.933 10 0 BCAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000096986189 173149242 /nfs/dbraw/zinc/14/92/42/173149242.db2.gz WAFAMYZWUZONFY-VHSXEESVSA-N 2 2 243.351 0.933 10 0 BCAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000096986189 173149243 /nfs/dbraw/zinc/14/92/43/173149243.db2.gz WAFAMYZWUZONFY-VHSXEESVSA-N 2 2 243.351 0.933 10 0 BCAELP C[N@@H+]1CC[C@H](Nc2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812865 173156205 /nfs/dbraw/zinc/15/62/05/173156205.db2.gz XGHQEGIKMMBMIH-VIFPVBQESA-N 2 2 236.344 0.832 10 0 BCAELP C[N@H+]1CC[C@H](Nc2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812865 173156207 /nfs/dbraw/zinc/15/62/07/173156207.db2.gz XGHQEGIKMMBMIH-VIFPVBQESA-N 2 2 236.344 0.832 10 0 BCAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(N)=O ZINC000054602046 173323728 /nfs/dbraw/zinc/32/37/28/173323728.db2.gz VAMDCBCHJUHLKO-FGWVZKOKSA-N 2 2 225.336 0.467 10 0 BCAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(N)=O ZINC000054602046 173323730 /nfs/dbraw/zinc/32/37/30/173323730.db2.gz VAMDCBCHJUHLKO-FGWVZKOKSA-N 2 2 225.336 0.467 10 0 BCAELP C[NH2+]CC(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037045830 173332718 /nfs/dbraw/zinc/33/27/18/173332718.db2.gz VXMVXISCNPEJSI-UWVGGRQHSA-N 2 2 222.292 0.312 10 0 BCAELP C[NH2+]CC1(C[N@@H+]2CCO[C@H](C)C2)CCOCC1 ZINC000052180861 173337818 /nfs/dbraw/zinc/33/78/18/173337818.db2.gz HDPYHGDHZPZNSA-GFCCVEGCSA-N 2 2 242.363 0.723 10 0 BCAELP C[NH2+]CC1(C[N@H+]2CCO[C@H](C)C2)CCOCC1 ZINC000052180861 173337820 /nfs/dbraw/zinc/33/78/20/173337820.db2.gz HDPYHGDHZPZNSA-GFCCVEGCSA-N 2 2 242.363 0.723 10 0 BCAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)CC(=O)N2 ZINC000077418226 173352690 /nfs/dbraw/zinc/35/26/90/173352690.db2.gz DEYNQZZEAYOLJG-UHFFFAOYSA-N 2 2 247.342 0.875 10 0 BCAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)CC(=O)N2 ZINC000077418226 173352692 /nfs/dbraw/zinc/35/26/92/173352692.db2.gz DEYNQZZEAYOLJG-UHFFFAOYSA-N 2 2 247.342 0.875 10 0 BCAELP C[NH2+]C[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000054937683 173370069 /nfs/dbraw/zinc/37/00/69/173370069.db2.gz XTJBRSSMOAWSQA-JTQLQIEISA-N 2 2 206.293 0.973 10 0 BCAELP C[NH2+]C[C@@]1(C[N@@H+]2CCO[C@H](C)C2)CCOC1 ZINC000051210646 173372927 /nfs/dbraw/zinc/37/29/27/173372927.db2.gz GQDMHZVBAFKFIJ-VXGBXAGGSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@@]1(C[N@H+]2CCO[C@H](C)C2)CCOC1 ZINC000051210646 173372928 /nfs/dbraw/zinc/37/29/28/173372928.db2.gz GQDMHZVBAFKFIJ-VXGBXAGGSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@@]1(C[N@H+](C)CCC[NH+](C)C)CCOC1 ZINC000104200966 173373157 /nfs/dbraw/zinc/37/31/57/173373157.db2.gz JOHVHJQQNMZRNT-CYBMUJFWSA-N 3 2 243.395 0.496 10 0 BCAELP C[NH2+]C[C@@]1(C[N@@H+](C)CCC[NH+](C)C)CCOC1 ZINC000104200966 173373158 /nfs/dbraw/zinc/37/31/58/173373158.db2.gz JOHVHJQQNMZRNT-CYBMUJFWSA-N 3 2 243.395 0.496 10 0 BCAELP C[NH2+]C[C@@]1(C[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC000051216812 173373178 /nfs/dbraw/zinc/37/31/78/173373178.db2.gz OJTXCVCZEDYCPA-NWDGAFQWSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@@]1(C[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC000051216812 173373179 /nfs/dbraw/zinc/37/31/79/173373179.db2.gz OJTXCVCZEDYCPA-NWDGAFQWSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@H](C)CN1CCn2cc[nH+]c2C1 ZINC000062325557 173375423 /nfs/dbraw/zinc/37/54/23/173375423.db2.gz ZONVEFUPWWHPKD-JTQLQIEISA-N 2 2 208.309 0.554 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000040600629 173378585 /nfs/dbraw/zinc/37/85/85/173378585.db2.gz XHEXLNSVRWVAND-LLVKDONJSA-N 2 2 225.336 0.150 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000040600629 173378586 /nfs/dbraw/zinc/37/85/86/173378586.db2.gz XHEXLNSVRWVAND-LLVKDONJSA-N 2 2 225.336 0.150 10 0 BCAELP C[NH2+]C[C@H]1C[N@H+](CCC(C)C)CCO1 ZINC000071508096 173382950 /nfs/dbraw/zinc/38/29/50/173382950.db2.gz NYEWWVRTAGCWBB-NSHDSACASA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H]1C[N@@H+](CCC(C)C)CCO1 ZINC000071508096 173382951 /nfs/dbraw/zinc/38/29/51/173382951.db2.gz NYEWWVRTAGCWBB-NSHDSACASA-N 2 2 200.326 0.953 10 0 BCAELP COCCN(C)c1[nH+]cc2n1CC[NH2+]C2 ZINC000089195612 174285103 /nfs/dbraw/zinc/28/51/03/174285103.db2.gz NDZGMDFXULGOOI-UHFFFAOYSA-N 2 2 210.281 0.069 10 0 BCAELP COCC[NH2+]CCN(C)CCCn1cc[nH+]c1 ZINC000042428083 174332579 /nfs/dbraw/zinc/33/25/79/174332579.db2.gz GIENQZGZSOIRIZ-UHFFFAOYSA-N 2 2 240.351 0.441 10 0 BCAELP COCC[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)(C)O ZINC000104421613 174334736 /nfs/dbraw/zinc/33/47/36/174334736.db2.gz XGXTZLFILCRTBO-GFCCVEGCSA-N 2 2 244.379 0.848 10 0 BCAELP COCC[NH2+]C[C@H]1CCCC[N@H+]1CC(C)(C)O ZINC000104421613 174334739 /nfs/dbraw/zinc/33/47/39/174334739.db2.gz XGXTZLFILCRTBO-GFCCVEGCSA-N 2 2 244.379 0.848 10 0 BCAELP COc1cc(OC)c(OC)cc1C[NH2+]CC[NH3+] ZINC000037712279 175007529 /nfs/dbraw/zinc/00/75/29/175007529.db2.gz ZNQBZACYVILSED-UHFFFAOYSA-N 2 2 240.303 0.761 10 0 BCAELP C[C@@H](C(=O)N(C)C)[N@H+](C)C1CC[NH2+]CC1 ZINC000036301540 175599962 /nfs/dbraw/zinc/59/99/62/175599962.db2.gz MCZVDYWLNRUBHA-VIFPVBQESA-N 2 2 213.325 0.147 10 0 BCAELP C[C@@H](C(=O)N(C)C)[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301540 175599963 /nfs/dbraw/zinc/59/99/63/175599963.db2.gz MCZVDYWLNRUBHA-VIFPVBQESA-N 2 2 213.325 0.147 10 0 BCAELP C[C@@H]([NH3+])C[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000211278791 175806333 /nfs/dbraw/zinc/80/63/33/175806333.db2.gz OIFHBCFJMGXTFY-KOLCDFICSA-N 2 2 222.288 0.794 10 0 BCAELP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1CC(=O)N1CCCC1 ZINC000104157010 176137464 /nfs/dbraw/zinc/13/74/64/176137464.db2.gz CIAFQSPMCFWWPW-VXGBXAGGSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1CC(=O)N1CCCC1 ZINC000104157010 176137466 /nfs/dbraw/zinc/13/74/66/176137466.db2.gz CIAFQSPMCFWWPW-VXGBXAGGSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062256677 176219569 /nfs/dbraw/zinc/21/95/69/176219569.db2.gz QQBPAHXLRDBEBM-MNOVXSKESA-N 2 2 248.330 0.613 10 0 BCAELP C[C@@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000042542782 176220908 /nfs/dbraw/zinc/22/09/08/176220908.db2.gz FHAHTUMKKAOWNJ-MNOVXSKESA-N 2 2 236.319 0.387 10 0 BCAELP C[C@@H]1C[NH+](C2(C[NH3+])CCOCC2)C[C@@H](C)O1 ZINC000036304783 176279616 /nfs/dbraw/zinc/27/96/16/176279616.db2.gz FSVTZBRAAJUWOZ-GHMZBOCLSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCOCC2)[C@H](C)CO1 ZINC000036304961 176280605 /nfs/dbraw/zinc/28/06/05/176280605.db2.gz PCOMUNOEZOEOTG-GHMZBOCLSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCOCC2)[C@H](C)CO1 ZINC000036304961 176280606 /nfs/dbraw/zinc/28/06/06/176280606.db2.gz PCOMUNOEZOEOTG-GHMZBOCLSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]1C[NH2+]CCC[N@H+](CCC[NH+](C)C)C1 ZINC000049666109 176324299 /nfs/dbraw/zinc/32/42/99/176324299.db2.gz WMLBNFZEHBRUQV-GFCCVEGCSA-N 3 2 213.369 0.870 10 0 BCAELP C[C@@H]1C[NH2+]CCC[N@@H+](CCC[NH+](C)C)C1 ZINC000049666109 176324300 /nfs/dbraw/zinc/32/43/00/176324300.db2.gz WMLBNFZEHBRUQV-GFCCVEGCSA-N 3 2 213.369 0.870 10 0 BCAELP C[C@H]1CCC[C@H](C(=O)NCCn2cc[nH+]c2)[NH2+]1 ZINC000042542797 177129129 /nfs/dbraw/zinc/12/91/29/177129129.db2.gz FIMZEAPGUBTAHH-WDEREUQCSA-N 2 2 236.319 0.530 10 0 BCAELP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1CC(=O)N1CCCC1 ZINC000104157011 177133095 /nfs/dbraw/zinc/13/30/95/177133095.db2.gz CIAFQSPMCFWWPW-NWDGAFQWSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1CC(=O)N1CCCC1 ZINC000104157011 177133097 /nfs/dbraw/zinc/13/30/97/177133097.db2.gz CIAFQSPMCFWWPW-NWDGAFQWSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438597 177182409 /nfs/dbraw/zinc/18/24/09/177182409.db2.gz NCYUOIGLPBZHNU-WHOHXGKFSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438597 177182411 /nfs/dbraw/zinc/18/24/11/177182411.db2.gz NCYUOIGLPBZHNU-WHOHXGKFSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000036304779 177240171 /nfs/dbraw/zinc/24/01/71/177240171.db2.gz FSVTZBRAAJUWOZ-PHIMTYICSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000036304779 177240172 /nfs/dbraw/zinc/24/01/72/177240172.db2.gz FSVTZBRAAJUWOZ-PHIMTYICSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@H]1C[N@H+](CCC[NH+](C)C)C[C@H](CC[NH3+])O1 ZINC000071534306 177248916 /nfs/dbraw/zinc/24/89/16/177248916.db2.gz YLFLCZDLDMXXAV-RYUDHWBXSA-N 3 2 229.368 0.376 10 0 BCAELP C[C@H]1C[N@@H+](CCC[NH+](C)C)C[C@H](CC[NH3+])O1 ZINC000071534306 177248917 /nfs/dbraw/zinc/24/89/17/177248917.db2.gz YLFLCZDLDMXXAV-RYUDHWBXSA-N 3 2 229.368 0.376 10 0 BCAELP C[C@H]1C[N@H+](Cc2cc(C[NH3+])co2)CCO1 ZINC000052382574 177260925 /nfs/dbraw/zinc/26/09/25/177260925.db2.gz DCOAIBWRUMGYRN-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1C[N@@H+](Cc2cc(C[NH3+])co2)CCO1 ZINC000052382574 177260926 /nfs/dbraw/zinc/26/09/26/177260926.db2.gz DCOAIBWRUMGYRN-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H](O)C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000111227818 177270824 /nfs/dbraw/zinc/27/08/24/177270824.db2.gz BMIJCIMYAREFKQ-WDEREUQCSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@@H](O)C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000111227818 177270825 /nfs/dbraw/zinc/27/08/25/177270825.db2.gz BMIJCIMYAREFKQ-WDEREUQCSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@H]1C[NH+]=C(NCCn2cc[nH+]c2)S1 ZINC000042542221 177282152 /nfs/dbraw/zinc/28/21/52/177282152.db2.gz BBVLYLHFNNPBKT-QMMMGPOBSA-N 2 2 210.306 0.964 10 0 BCAELP C[C@H]1C[NH2+]CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982838 177282535 /nfs/dbraw/zinc/28/25/35/177282535.db2.gz YBXFGFCZWWEVFQ-RYUDHWBXSA-N 2 2 212.337 0.954 10 0 BCAELP C[C@H]1C[NH2+]CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982838 177282536 /nfs/dbraw/zinc/28/25/36/177282536.db2.gz YBXFGFCZWWEVFQ-RYUDHWBXSA-N 2 2 212.337 0.954 10 0 BCAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCS(=O)(=O)CC1 ZINC000049711455 177326468 /nfs/dbraw/zinc/32/64/68/177326468.db2.gz AWEIOIXWDJUYEE-UWVGGRQHSA-N 2 2 246.376 0.375 10 0 BCAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCS(=O)(=O)CC1 ZINC000049711455 177326469 /nfs/dbraw/zinc/32/64/69/177326469.db2.gz AWEIOIXWDJUYEE-UWVGGRQHSA-N 2 2 246.376 0.375 10 0 BCAELP C[C@H]1C[C@@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000401505810 226358623 /nfs/dbraw/zinc/35/86/23/226358623.db2.gz RXWMEIAYNAQIIU-NWDGAFQWSA-N 2 2 223.320 0.976 10 0 BCAELP C[C@H]1C[C@@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000401505810 226358624 /nfs/dbraw/zinc/35/86/24/226358624.db2.gz RXWMEIAYNAQIIU-NWDGAFQWSA-N 2 2 223.320 0.976 10 0 BCAELP O=C(C[C@@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000054291451 487709193 /nfs/dbraw/zinc/70/91/93/487709193.db2.gz OBYSMHSLFZRDIJ-NSHDSACASA-N 2 2 236.319 0.389 10 0 BCAELP CC(C)n1nnnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000571166131 323137268 /nfs/dbraw/zinc/13/72/68/323137268.db2.gz VLHYERLHUUGDMO-UHFFFAOYSA-N 2 2 238.339 0.425 10 0 BCAELP C[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C[N@@H+]1C1CC1 ZINC000229935156 323158214 /nfs/dbraw/zinc/15/82/14/323158214.db2.gz RZDIIZNMEDFFCB-MSLYCWSTSA-N 2 2 224.348 0.972 10 0 BCAELP C[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)C[N@H+]1C1CC1 ZINC000229935156 323158215 /nfs/dbraw/zinc/15/82/15/323158215.db2.gz RZDIIZNMEDFFCB-MSLYCWSTSA-N 2 2 224.348 0.972 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCO[C@@H]2C)n1C ZINC000568273632 326339325 /nfs/dbraw/zinc/33/93/25/326339325.db2.gz VJIMIAPVLSQSER-LDYMZIIASA-N 2 2 209.293 0.996 10 0 BCAELP Cc1cc(NC[C@H]2COCC[NH2+]2)nc[nH+]1 ZINC000235827433 488023484 /nfs/dbraw/zinc/02/34/84/488023484.db2.gz CVIOPHISELAVLY-VIFPVBQESA-N 2 2 208.265 0.185 10 0 BCAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000084311423 488045075 /nfs/dbraw/zinc/04/50/75/488045075.db2.gz PDCGEKPGLACRCZ-SCZZXKLOSA-N 2 2 222.292 0.401 10 0 BCAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000084311423 488045079 /nfs/dbraw/zinc/04/50/79/488045079.db2.gz PDCGEKPGLACRCZ-SCZZXKLOSA-N 2 2 222.292 0.401 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000167901741 487475302 /nfs/dbraw/zinc/47/53/02/487475302.db2.gz SIKGIGYVHPHCBH-LLVKDONJSA-N 2 2 222.336 0.906 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000167901741 487475306 /nfs/dbraw/zinc/47/53/06/487475306.db2.gz SIKGIGYVHPHCBH-LLVKDONJSA-N 2 2 222.336 0.906 10 0 BCAELP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085871 487512271 /nfs/dbraw/zinc/51/22/71/487512271.db2.gz KVYHZGXDHGFTEJ-WPRPVWTQSA-N 2 2 246.314 0.869 10 0 BCAELP CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)nn1 ZINC000404459233 488161830 /nfs/dbraw/zinc/16/18/30/488161830.db2.gz PQQXIUKCLHURGV-UWVGGRQHSA-N 2 2 223.324 0.386 10 0 BCAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[NH2+]C1 ZINC000216655543 490218302 /nfs/dbraw/zinc/21/83/02/490218302.db2.gz JYCKQTIOKOPKPO-SECBINFHSA-N 2 2 207.277 0.888 10 0 BCAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000087197655 491066728 /nfs/dbraw/zinc/06/67/28/491066728.db2.gz VUFRHLQGQHBOAZ-LLVKDONJSA-N 2 2 228.336 0.333 10 0 BCAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000087197655 491066729 /nfs/dbraw/zinc/06/67/29/491066729.db2.gz VUFRHLQGQHBOAZ-LLVKDONJSA-N 2 2 228.336 0.333 10 0 BCAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000309112652 491144918 /nfs/dbraw/zinc/14/49/18/491144918.db2.gz KFLNSOWVEPYIEK-WYUUTHIRSA-N 2 2 212.337 0.830 10 0 BCAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000309112652 491144919 /nfs/dbraw/zinc/14/49/19/491144919.db2.gz KFLNSOWVEPYIEK-WYUUTHIRSA-N 2 2 212.337 0.830 10 0 BCAELP COC[C@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757148879 582533057 /nfs/dbraw/zinc/53/30/57/582533057.db2.gz OMMVDWGZCXPEGS-LLVKDONJSA-N 2 2 240.347 0.966 10 0 BCAELP C[C@H](C[C@@H]1CCC[NH2+]1)[N@H+]1CC[C@H]1C(N)=O ZINC000757163174 582545581 /nfs/dbraw/zinc/54/55/81/582545581.db2.gz YTXCTOUBARVPIK-UTLUCORTSA-N 2 2 211.309 0.077 10 0 BCAELP CC(=O)NCC1CC[NH+](CC[NH2+]C(C)C)CC1 ZINC000226306807 534355575 /nfs/dbraw/zinc/35/55/75/534355575.db2.gz IKEMAISSOFMKTD-UHFFFAOYSA-N 2 2 241.379 0.833 10 0 BCAELP CC[N@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000238856140 520270813 /nfs/dbraw/zinc/27/08/13/520270813.db2.gz UYSQIPDQTNSPFU-NXEZZACHSA-N 2 2 243.351 0.885 10 0 BCAELP CC[N@@H+](C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000238856140 520270820 /nfs/dbraw/zinc/27/08/20/520270820.db2.gz UYSQIPDQTNSPFU-NXEZZACHSA-N 2 2 243.351 0.885 10 0 BCAELP COC(=O)C1([NH+]2CCCC2)CC[NH2+]CC1 ZINC000095533141 522836037 /nfs/dbraw/zinc/83/60/37/522836037.db2.gz FXCBDPVSKXVJNP-UHFFFAOYSA-N 2 2 212.293 0.377 10 0 BCAELP C[NH2+][C@](C)(CCn1cc[nH+]c1)C(=O)OC ZINC000045432315 582879393 /nfs/dbraw/zinc/87/93/93/582879393.db2.gz QRLBBFCDSXZXGR-SNVBAGLBSA-N 2 2 211.265 0.424 10 0 BCAELP CC(C)COCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261527580 535177376 /nfs/dbraw/zinc/17/73/76/535177376.db2.gz CZTDDNTWGONACU-WDEREUQCSA-N 2 2 200.326 0.938 10 0 BCAELP CC(C)COCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261527580 535177379 /nfs/dbraw/zinc/17/73/79/535177379.db2.gz CZTDDNTWGONACU-WDEREUQCSA-N 2 2 200.326 0.938 10 0 BCAELP C[NH+]1CCN(c2ncc(C[NH3+])cc2Cl)CC1 ZINC000051396159 536426212 /nfs/dbraw/zinc/42/62/12/536426212.db2.gz KAATWEHCSRIMSD-UHFFFAOYSA-N 2 2 240.738 0.946 10 0 BCAELP [NH3+]C[C@H]1CCN1CC1=CSC2=[NH+]CCN12 ZINC000757147562 582532057 /nfs/dbraw/zinc/53/20/57/582532057.db2.gz QKLXRHYLWFIWFQ-MRVPVSSYSA-N 2 2 224.333 0.279 10 0 BCAELP C[C@H](C[C@@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]1C(N)=O ZINC000757163174 582545579 /nfs/dbraw/zinc/54/55/79/582545579.db2.gz YTXCTOUBARVPIK-UTLUCORTSA-N 2 2 211.309 0.077 10 0 BCAELP CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529952 582864797 /nfs/dbraw/zinc/86/47/97/582864797.db2.gz IINDOWVTNUZHSW-JTQLQIEISA-N 2 2 228.336 0.999 10 0 BCAELP CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529952 582864803 /nfs/dbraw/zinc/86/48/03/582864803.db2.gz IINDOWVTNUZHSW-JTQLQIEISA-N 2 2 228.336 0.999 10 0 BCAELP C[NH2+][C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]2C(N)=O)C1 ZINC000757159573 586430508 /nfs/dbraw/zinc/43/05/08/586430508.db2.gz QLNJFLFETLCMRE-KXUCPTDWSA-N 2 2 211.309 0.077 10 0 BCAELP C[NH2+][C@@H]1CCC[C@H]([N@H+]2CC[C@@H]2C(N)=O)C1 ZINC000757159573 586430509 /nfs/dbraw/zinc/43/05/09/586430509.db2.gz QLNJFLFETLCMRE-KXUCPTDWSA-N 2 2 211.309 0.077 10 0 BCAELP CCn1cc([C@@H]2C[C@H](C)[C@H]([NH3+])C[NH2+]2)cn1 ZINC000757227360 586442579 /nfs/dbraw/zinc/44/25/79/586442579.db2.gz BNJIIDKBKYZBBR-GDPRMGEGSA-N 2 2 208.309 0.901 10 0 BCAELP CCn1cc([C@@H]2[NH2+]CC[C@@H](C)[C@H]2[NH3+])cn1 ZINC000757235590 586443309 /nfs/dbraw/zinc/44/33/09/586443309.db2.gz LUUCPBPGILXBEW-IEBDPFPHSA-N 2 2 208.309 0.901 10 0 BCAELP CN(C)c1cc(NC[C@H]2CC[NH2+]C2)[nH+]cn1 ZINC000258669373 631576556 /nfs/dbraw/zinc/57/65/56/631576556.db2.gz OGMPXTOGOBCAGO-VIFPVBQESA-N 2 2 221.308 0.564 10 0 BCAELP CN(C)c1cc(NC[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258669373 631576561 /nfs/dbraw/zinc/57/65/61/631576561.db2.gz OGMPXTOGOBCAGO-VIFPVBQESA-N 2 2 221.308 0.564 10 0 BCAELP C[C@H](C[NH3+])N(C)c1cc(N(C)C)[nH+]cn1 ZINC000258858738 631656851 /nfs/dbraw/zinc/65/68/51/631656851.db2.gz ZRQWFDIIBMDPAX-MRVPVSSYSA-N 2 2 209.297 0.326 10 0 BCAELP CCC[N@H+](C[C@@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249995882 635695675 /nfs/dbraw/zinc/69/56/75/635695675.db2.gz GJKYPHQEIMJSRJ-QWHCGFSZSA-N 2 2 244.379 0.846 10 0 BCAELP CCC[N@@H+](C[C@@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249995882 635695679 /nfs/dbraw/zinc/69/56/79/635695679.db2.gz GJKYPHQEIMJSRJ-QWHCGFSZSA-N 2 2 244.379 0.846 10 0 BCAELP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc[nH]1)C2 ZINC000309543422 632481851 /nfs/dbraw/zinc/48/18/51/632481851.db2.gz GWVWQCXXFDECOH-SECBINFHSA-N 2 2 217.276 0.711 10 0 BCAELP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235658900 632808964 /nfs/dbraw/zinc/80/89/64/632808964.db2.gz NYXWZJDTZIXGLH-WCFLWFBJSA-N 2 2 220.316 0.999 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]1[NH3+] ZINC000235658900 632808967 /nfs/dbraw/zinc/80/89/67/632808967.db2.gz NYXWZJDTZIXGLH-WCFLWFBJSA-N 2 2 220.316 0.999 10 0 BCAELP C[NH2+][C@@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000258600975 635171456 /nfs/dbraw/zinc/17/14/56/635171456.db2.gz BCZRDWFESNDNGR-SECBINFHSA-N 2 2 221.308 0.341 10 0 BCAELP [NH3+]C1CC[NH+](CCNc2ncc(F)cn2)CC1 ZINC000321608527 636663452 /nfs/dbraw/zinc/66/34/52/636663452.db2.gz UWOXXDLYQCPZJV-UHFFFAOYSA-N 2 2 239.298 0.451 10 0 BCAELP COC(=O)[C@H]([NH3+])CCn1cc[nH+]c1C(C)C ZINC000062534543 641058035 /nfs/dbraw/zinc/05/80/35/641058035.db2.gz ZXCANVMVTWUNMP-SECBINFHSA-N 2 2 225.292 0.897 10 0 BCAELP CC[NH2+][C@@H](CCn1cc[nH+]c1C)C(=O)OC ZINC000062535036 641058082 /nfs/dbraw/zinc/05/80/82/641058082.db2.gz JYWWOVQEKSKOCX-JTQLQIEISA-N 2 2 225.292 0.733 10 0 BCAELP CC(C)[NH2+][C@H](CCn1cc[nH+]c1)C(N)=O ZINC000062534979 641058522 /nfs/dbraw/zinc/05/85/22/641058522.db2.gz CNWKNSYPTFEOHU-SECBINFHSA-N 2 2 210.281 0.125 10 0 BCAELP Cn1cncc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231463884 641175464 /nfs/dbraw/zinc/17/54/64/641175464.db2.gz NCTUCMAKXGJLHR-NSHDSACASA-N 2 2 222.336 0.994 10 0 BCAELP Cn1cncc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231463884 641175467 /nfs/dbraw/zinc/17/54/67/641175467.db2.gz NCTUCMAKXGJLHR-NSHDSACASA-N 2 2 222.336 0.994 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000069660944 642892583 /nfs/dbraw/zinc/89/25/83/642892583.db2.gz VLLTVPLBAPBCFU-NEPJUHHUSA-N 2 2 230.352 0.586 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000069660944 642892587 /nfs/dbraw/zinc/89/25/87/642892587.db2.gz VLLTVPLBAPBCFU-NEPJUHHUSA-N 2 2 230.352 0.586 10 0 BCAELP CCCc1[nH+]ccn1C[C@](C)([NH3+])C(=O)OC ZINC000069964573 642945114 /nfs/dbraw/zinc/94/51/14/642945114.db2.gz UOZCEQDGSXRFSS-NSHDSACASA-N 2 2 225.292 0.726 10 0 BCAELP CC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800140 643382270 /nfs/dbraw/zinc/38/22/70/643382270.db2.gz AHRRNGUOKZLSCR-MWLCHTKSSA-N 2 2 224.308 0.688 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000227911403 643762323 /nfs/dbraw/zinc/76/23/23/643762323.db2.gz CZFWVFMELUGSJO-WDEREUQCSA-N 2 2 216.325 0.197 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000227911403 643762328 /nfs/dbraw/zinc/76/23/28/643762328.db2.gz CZFWVFMELUGSJO-WDEREUQCSA-N 2 2 216.325 0.197 10 0 BCAELP C[NH2+][C@@]1(C(N)=O)CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604638 644155103 /nfs/dbraw/zinc/15/51/03/644155103.db2.gz BASIGDAESFPANX-ONGXEEELSA-N 2 2 222.292 0.442 10 0 BCAELP C[NH2+][C@]1(C(N)=O)CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604637 644155682 /nfs/dbraw/zinc/15/56/82/644155682.db2.gz BASIGDAESFPANX-GXSJLCMTSA-N 2 2 222.292 0.442 10 0 BCAELP CCC[NH2+][C@](C)(CCn1cc[nH+]c1)C(N)=O ZINC000084507772 644425740 /nfs/dbraw/zinc/42/57/40/644425740.db2.gz FWRDZHNYBVJANZ-LLVKDONJSA-N 2 2 224.308 0.517 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000708939467 712203842 /nfs/dbraw/zinc/20/38/42/712203842.db2.gz DLAQLUZYYYSHGY-SRVKXCTJSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000708939467 712203845 /nfs/dbraw/zinc/20/38/45/712203845.db2.gz DLAQLUZYYYSHGY-SRVKXCTJSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583967 712854629 /nfs/dbraw/zinc/85/46/29/712854629.db2.gz NVOQIBXMISMZCO-UWVGGRQHSA-N 2 2 223.324 0.608 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746051 712863134 /nfs/dbraw/zinc/86/31/34/712863134.db2.gz FMBHILQLADHVNY-GHMZBOCLSA-N 2 2 230.352 0.441 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746051 712863136 /nfs/dbraw/zinc/86/31/36/712863136.db2.gz FMBHILQLADHVNY-GHMZBOCLSA-N 2 2 230.352 0.441 10 0 BCAELP C[NH+](C)Cc1csc(CN[C@H]2CC[NH2+]C2)n1 ZINC000722378683 710712817 /nfs/dbraw/zinc/71/28/17/710712817.db2.gz LYTZYVFMAZEZPD-VIFPVBQESA-N 2 2 240.376 0.656 10 0 BCAELP CO[C@H]1C[N@H+](CCOC2CC2)[C@@](C)(C[NH3+])C1 ZINC000711776069 712328029 /nfs/dbraw/zinc/32/80/29/712328029.db2.gz DWVQFGCQMAYFFC-VXGBXAGGSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@H]1C[N@@H+](CCOC2CC2)[C@@](C)(C[NH3+])C1 ZINC000711776069 712328031 /nfs/dbraw/zinc/32/80/31/712328031.db2.gz DWVQFGCQMAYFFC-VXGBXAGGSA-N 2 2 228.336 0.604 10 0 BCAELP CCc1noc([C@]23C[NH2+]C[C@H]2C[N@H+](C)CC3)n1 ZINC000950757262 712726327 /nfs/dbraw/zinc/72/63/27/712726327.db2.gz NBOPIOIUNSXYHE-JOYOIKCWSA-N 2 2 236.319 0.425 10 0 BCAELP CCc1noc([C@]23C[NH2+]C[C@H]2C[N@@H+](C)CC3)n1 ZINC000950757262 712726329 /nfs/dbraw/zinc/72/63/29/712726329.db2.gz NBOPIOIUNSXYHE-JOYOIKCWSA-N 2 2 236.319 0.425 10 0 BCAELP C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@@H]1CC[NH2+]C1 ZINC000720604335 712857828 /nfs/dbraw/zinc/85/78/28/712857828.db2.gz ZQONNFWRMXPSMM-KXUCPTDWSA-N 2 2 223.324 0.464 10 0 BCAELP C[NH2+]CC[N@H+](CCC(=O)OC)C(C)C ZINC000720774454 712864817 /nfs/dbraw/zinc/86/48/17/712864817.db2.gz LWONVYUUMDGQRZ-UHFFFAOYSA-N 2 2 202.298 0.479 10 0 BCAELP C[NH2+]CC[N@@H+](CCC(=O)OC)C(C)C ZINC000720774454 712864820 /nfs/dbraw/zinc/86/48/20/712864820.db2.gz LWONVYUUMDGQRZ-UHFFFAOYSA-N 2 2 202.298 0.479 10 0 BCAELP CCC[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685955199 538900357 /nfs/dbraw/zinc/90/03/57/538900357.db2.gz VWMNJKWNDXKVNE-NSHDSACASA-N 3 2 211.353 0.894 10 0 BCAELP CCC[N@H+]1CC[C@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685955199 538900358 /nfs/dbraw/zinc/90/03/58/538900358.db2.gz VWMNJKWNDXKVNE-NSHDSACASA-N 3 2 211.353 0.894 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955263 538900792 /nfs/dbraw/zinc/90/07/92/538900792.db2.gz WYUSERNHGQMRDE-VXGBXAGGSA-N 2 2 209.337 0.504 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955263 538900794 /nfs/dbraw/zinc/90/07/94/538900794.db2.gz WYUSERNHGQMRDE-VXGBXAGGSA-N 2 2 209.337 0.504 10 0 BCAELP CCN1CC[C@@H]([NH3+])[C@]12C[NH+]1CCC2CC1 ZINC000685955263 538900796 /nfs/dbraw/zinc/90/07/96/538900796.db2.gz WYUSERNHGQMRDE-VXGBXAGGSA-N 2 2 209.337 0.504 10 0 BCAELP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc(C)[nH+]1 ZINC000301667413 178121606 /nfs/dbraw/zinc/12/16/06/178121606.db2.gz OZRYXALLWWNCOI-NEPJUHHUSA-N 2 2 248.330 0.613 10 0 BCAELP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc(C)[nH+]1 ZINC000301667413 178121609 /nfs/dbraw/zinc/12/16/09/178121609.db2.gz OZRYXALLWWNCOI-NEPJUHHUSA-N 2 2 248.330 0.613 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(CO)CCOCC1 ZINC000386513945 398211123 /nfs/dbraw/zinc/21/11/23/398211123.db2.gz CITLCTNALHTNNK-NSHDSACASA-N 2 2 228.336 0.212 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(CO)CCOCC1 ZINC000386513945 398211124 /nfs/dbraw/zinc/21/11/24/398211124.db2.gz CITLCTNALHTNNK-NSHDSACASA-N 2 2 228.336 0.212 10 0 BCAELP CN(CCC[NH3+])c1cc(NC2CC2)[nH+]cn1 ZINC000259081604 349543198 /nfs/dbraw/zinc/54/31/98/349543198.db2.gz YCQTXGDCQPHXPQ-UHFFFAOYSA-N 2 2 221.308 0.836 10 0 BCAELP CN(CCC[NH3+])c1cc(NC2CC2)nc[nH+]1 ZINC000259081604 349543200 /nfs/dbraw/zinc/54/32/00/349543200.db2.gz YCQTXGDCQPHXPQ-UHFFFAOYSA-N 2 2 221.308 0.836 10 0 BCAELP CCC(CC)[C@@H](C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000041049739 168397104 /nfs/dbraw/zinc/39/71/04/168397104.db2.gz PEPKAULMZMHUOD-NSHDSACASA-N 2 2 227.352 0.572 10 0 BCAELP CCC(CC)[C@@H](C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000041049739 168397106 /nfs/dbraw/zinc/39/71/06/168397106.db2.gz PEPKAULMZMHUOD-NSHDSACASA-N 2 2 227.352 0.572 10 0 BCAELP Cn1cc[nH+]c1[C@@H]1[C@@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000521399528 398304541 /nfs/dbraw/zinc/30/45/41/398304541.db2.gz WNKAFLHNJLTKGO-SKDRFNHKSA-N 2 2 248.330 0.821 10 0 BCAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000309076270 342887947 /nfs/dbraw/zinc/88/79/47/342887947.db2.gz KTGIIWFAQBMSBB-LBPRGKRZSA-N 2 2 206.289 0.537 10 0 BCAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000309076270 342887949 /nfs/dbraw/zinc/88/79/49/342887949.db2.gz KTGIIWFAQBMSBB-LBPRGKRZSA-N 2 2 206.289 0.537 10 0 BCAELP COC(=O)CC[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000234536132 342930119 /nfs/dbraw/zinc/93/01/19/342930119.db2.gz WCCFVADIXVIMKB-VIFPVBQESA-N 2 2 200.282 0.281 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])ccc1OC(C)=O ZINC000072201104 343069633 /nfs/dbraw/zinc/06/96/33/343069633.db2.gz YIRZRSWSFCJZOY-VIFPVBQESA-N 2 2 224.260 0.579 10 0 BCAELP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000092956770 343150279 /nfs/dbraw/zinc/15/02/79/343150279.db2.gz SGZFLHSCLCENTB-VHSXEESVSA-N 2 2 234.303 0.223 10 0 BCAELP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000245726266 136272394 /nfs/dbraw/zinc/27/23/94/136272394.db2.gz IUORZBYFERPDJU-QWRGUYRKSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000245726266 136272395 /nfs/dbraw/zinc/27/23/95/136272395.db2.gz IUORZBYFERPDJU-QWRGUYRKSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@H]1C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718049 343290220 /nfs/dbraw/zinc/29/02/20/343290220.db2.gz RAMNUJUPQFTTTN-WCBMZHEXSA-N 2 2 208.309 0.984 10 0 BCAELP C1CC1[NH+]1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000038041388 187261951 /nfs/dbraw/zinc/26/19/51/187261951.db2.gz SCQRIAKSXVPUFG-UHFFFAOYSA-N 3 2 223.364 0.955 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000570162299 323051431 /nfs/dbraw/zinc/05/14/31/323051431.db2.gz JPQDLTDQCLJXNF-RYUDHWBXSA-N 2 2 228.336 0.605 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000570162299 323051432 /nfs/dbraw/zinc/05/14/32/323051432.db2.gz JPQDLTDQCLJXNF-RYUDHWBXSA-N 2 2 228.336 0.605 10 0 BCAELP [NH3+]C[C@@]1([NH2+]Cc2ccccc2)CCOC1 ZINC000083764315 343664669 /nfs/dbraw/zinc/66/46/69/343664669.db2.gz WHCQBNRDMASYIG-LBPRGKRZSA-N 2 2 206.289 0.894 10 0 BCAELP [NH3+][C@@H]1CCC2(C[C@H]1n1cc[nH+]c1)OCCO2 ZINC000023072027 344038998 /nfs/dbraw/zinc/03/89/98/344038998.db2.gz WTWHZOQWAJDPKO-NXEZZACHSA-N 2 2 223.276 0.679 10 0 BCAELP COc1nc(C(=[NH2+])NO)ccc1-n1c[nH+]c(C)c1 ZINC000149364302 343974920 /nfs/dbraw/zinc/97/49/20/343974920.db2.gz MIBKDLJNOITWBV-UHFFFAOYSA-N 2 2 247.258 0.888 10 0 BCAELP COC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000212487291 344242276 /nfs/dbraw/zinc/24/22/76/344242276.db2.gz KNGILYXCFSDIDY-NSHDSACASA-N 2 2 241.335 0.370 10 0 BCAELP NC(=O)c1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614408 344529765 /nfs/dbraw/zinc/52/97/65/344529765.db2.gz NLZFZPYGXJFWPG-GFCCVEGCSA-N 2 2 233.315 0.534 10 0 BCAELP NC(=O)c1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614408 344529766 /nfs/dbraw/zinc/52/97/66/344529766.db2.gz NLZFZPYGXJFWPG-GFCCVEGCSA-N 2 2 233.315 0.534 10 0 BCAELP COCC[NH+](CCOC)[C@H]1CCC[C@@H]1[NH3+] ZINC000042442554 187291854 /nfs/dbraw/zinc/29/18/54/187291854.db2.gz UNQAZUXMZISSFW-QWRGUYRKSA-N 2 2 216.325 0.461 10 0 BCAELP Cc1ccc(NCCN2CC[NH2+]CC2)[nH+]c1 ZINC000036279074 178757967 /nfs/dbraw/zinc/75/79/67/178757967.db2.gz DHXVLRSFOQNDCB-UHFFFAOYSA-N 2 2 220.320 0.707 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC000156198801 345134399 /nfs/dbraw/zinc/13/43/99/345134399.db2.gz QLWSMQFVIVBHBR-OUAUKWLOSA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC000156198801 345134401 /nfs/dbraw/zinc/13/44/01/345134401.db2.gz QLWSMQFVIVBHBR-OUAUKWLOSA-N 2 2 225.336 0.337 10 0 BCAELP Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999557 345200603 /nfs/dbraw/zinc/20/06/03/345200603.db2.gz WCJVOCGKHDEBHF-WPRPVWTQSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999557 345200604 /nfs/dbraw/zinc/20/06/04/345200604.db2.gz WCJVOCGKHDEBHF-WPRPVWTQSA-N 2 2 208.309 0.745 10 0 BCAELP C[NH+](C)C[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189222445 259383929 /nfs/dbraw/zinc/38/39/29/259383929.db2.gz KFJWRHKJZFMKSM-STQMWFEESA-N 2 2 242.363 0.818 10 0 BCAELP C[NH+](C)C[C@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189222445 259383930 /nfs/dbraw/zinc/38/39/30/259383930.db2.gz KFJWRHKJZFMKSM-STQMWFEESA-N 2 2 242.363 0.818 10 0 BCAELP CC1([NH+]2CCC3(CC2)OCCO3)CC[NH2+]CC1 ZINC000140537169 345856002 /nfs/dbraw/zinc/85/60/02/345856002.db2.gz HQZLIFQOVGDWOX-UHFFFAOYSA-N 2 2 240.347 0.967 10 0 BCAELP CC1CC[NH+](C[C@H]2C[NH2+]C[C@@H](C[NH3+])C2)CC1 ZINC000669378956 537972883 /nfs/dbraw/zinc/97/28/83/537972883.db2.gz QJOIWDAKJMTLJP-CHWSQXEVSA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CSC(NN2CC[NH+](C)CC2)=[NH+]1 ZINC000148834706 346464998 /nfs/dbraw/zinc/46/49/98/346464998.db2.gz ZSIKZVHRJVFYRO-MRVPVSSYSA-N 2 2 214.338 0.230 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396750817 362832531 /nfs/dbraw/zinc/83/25/31/362832531.db2.gz RXRIUQRYDSNXFQ-QWRGUYRKSA-N 2 2 225.336 0.339 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396750817 362832539 /nfs/dbraw/zinc/83/25/39/362832539.db2.gz RXRIUQRYDSNXFQ-QWRGUYRKSA-N 2 2 225.336 0.339 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000577396636 365945144 /nfs/dbraw/zinc/94/51/44/365945144.db2.gz WPVUWIWRINECNQ-VHSXEESVSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000577396636 365945149 /nfs/dbraw/zinc/94/51/49/365945149.db2.gz WPVUWIWRINECNQ-VHSXEESVSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000577396638 365945995 /nfs/dbraw/zinc/94/59/95/365945995.db2.gz WPVUWIWRINECNQ-ZJUUUORDSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000577396638 365945999 /nfs/dbraw/zinc/94/59/99/365945999.db2.gz WPVUWIWRINECNQ-ZJUUUORDSA-N 2 2 238.339 0.423 10 0 BCAELP [NH3+][C@H]1CCC[N@H+](C[C@H]2CCOCO2)C1 ZINC000251461673 362878643 /nfs/dbraw/zinc/87/86/43/362878643.db2.gz UUEWDOWRNVYBTL-VHSXEESVSA-N 2 2 200.282 0.173 10 0 BCAELP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCOCO2)C1 ZINC000251461673 362878646 /nfs/dbraw/zinc/87/86/46/362878646.db2.gz UUEWDOWRNVYBTL-VHSXEESVSA-N 2 2 200.282 0.173 10 0 BCAELP C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000082680336 348317324 /nfs/dbraw/zinc/31/73/24/348317324.db2.gz LEQGRHSZRUNCSQ-BDAKNGLRSA-N 2 2 240.269 0.793 10 0 BCAELP C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000082680336 348317329 /nfs/dbraw/zinc/31/73/29/348317329.db2.gz LEQGRHSZRUNCSQ-BDAKNGLRSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@H](O)C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000082680336 348317331 /nfs/dbraw/zinc/31/73/31/348317331.db2.gz LEQGRHSZRUNCSQ-BDAKNGLRSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@H](O)C(F)(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000082680336 348317335 /nfs/dbraw/zinc/31/73/35/348317335.db2.gz LEQGRHSZRUNCSQ-BDAKNGLRSA-N 2 2 240.269 0.793 10 0 BCAELP O[C@@]1(C[NH2+]C2CCC2)CC[NH2+]CC1(F)F ZINC000669383672 538010988 /nfs/dbraw/zinc/01/09/88/538010988.db2.gz WYJPCBSNHCTTPT-SECBINFHSA-N 2 2 220.263 0.488 10 0 BCAELP CC(C)[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669383614 538012366 /nfs/dbraw/zinc/01/23/66/538012366.db2.gz VWOWHJDWVIZOCW-MRVPVSSYSA-N 2 2 208.252 0.344 10 0 BCAELP C[NH2+]C[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000616580101 349243611 /nfs/dbraw/zinc/24/36/11/349243611.db2.gz UWFFSTAWFRPVFO-GFCCVEGCSA-N 2 2 236.319 0.336 10 0 BCAELP Cn1c[nH+]cc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166888 191001138 /nfs/dbraw/zinc/00/11/38/191001138.db2.gz UIRUZPCIRDZFOC-SKDRFNHKSA-N 2 2 234.303 0.573 10 0 BCAELP Cc1[nH+]c2ccccn2c1CNC1=[NH+]CCN1 ZINC000211784089 180107747 /nfs/dbraw/zinc/10/77/47/180107747.db2.gz UDKXMEUMOGKINY-UHFFFAOYSA-N 2 2 229.287 0.692 10 0 BCAELP Cc1[nH+]c2ccccc2n1C[C@H]([NH3+])C(N)=O ZINC000045431291 180102940 /nfs/dbraw/zinc/10/29/40/180102940.db2.gz PZNYKUVIXCCXIT-QMMMGPOBSA-N 2 2 218.260 0.157 10 0 BCAELP Cc1nc(NC[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000227786337 180200074 /nfs/dbraw/zinc/20/00/74/180200074.db2.gz SRAOVFQHWQVVAF-VIFPVBQESA-N 2 2 208.265 0.185 10 0 BCAELP Cc1nccc(C[NH2+]C2CC[NH2+]CC2)n1 ZINC000038041593 180187254 /nfs/dbraw/zinc/18/72/54/180187254.db2.gz GJZWBJDRYZZCCW-UHFFFAOYSA-N 2 2 206.293 0.627 10 0 BCAELP Cc1[nH+]ccn1-c1ccc(C(N)=[NH2+])cn1 ZINC000019471212 180229030 /nfs/dbraw/zinc/22/90/30/180229030.db2.gz YMKHJDYYIOFKKP-UHFFFAOYSA-N 2 2 201.233 0.860 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000049330738 180249909 /nfs/dbraw/zinc/24/99/09/180249909.db2.gz KVYXSMUXWCDLTM-LLVKDONJSA-N 3 2 208.309 0.615 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000049330738 180249911 /nfs/dbraw/zinc/24/99/11/180249911.db2.gz KVYXSMUXWCDLTM-LLVKDONJSA-N 3 2 208.309 0.615 10 0 BCAELP Cc1[nH+]cn(-c2ccc(C[NH3+])nn2)c1C ZINC000051928486 180285808 /nfs/dbraw/zinc/28/58/08/180285808.db2.gz LXWAXJWUVUBBNZ-UHFFFAOYSA-N 2 2 203.249 0.738 10 0 BCAELP CCC[NH2+][C@@H](C[NH3+])CNC(=O)OC(C)(C)C ZINC000226195918 350406850 /nfs/dbraw/zinc/40/68/50/350406850.db2.gz NZARTBLBBKIBDK-VIFPVBQESA-N 2 2 231.340 0.838 10 0 BCAELP CCc1[nH+]ccn1[C@H](C)[C@H]([NH3+])C(=O)OC ZINC000710776761 538095621 /nfs/dbraw/zinc/09/56/21/538095621.db2.gz YNBLAKSDWSXXSB-APPZFPTMSA-N 2 2 211.265 0.507 10 0 BCAELP Nc1[nH+]cccc1[C@H]1CC[N@H+](CCO)CCO1 ZINC000616593606 350582169 /nfs/dbraw/zinc/58/21/69/350582169.db2.gz AFBGCLXCUDIBDW-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP Nc1[nH+]cccc1[C@H]1CC[N@@H+](CCO)CCO1 ZINC000616593606 350582172 /nfs/dbraw/zinc/58/21/72/350582172.db2.gz AFBGCLXCUDIBDW-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP NC(=O)c1ccc(C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000616619113 350926945 /nfs/dbraw/zinc/92/69/45/350926945.db2.gz DHERSEPNHOVVOA-UHFFFAOYSA-N 2 2 247.342 0.924 10 0 BCAELP Nc1cc(CC(=O)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000226330226 351007769 /nfs/dbraw/zinc/00/77/69/351007769.db2.gz DYMOIEVGXKPBTL-VIFPVBQESA-N 2 2 205.261 0.385 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616627457 351095584 /nfs/dbraw/zinc/09/55/84/351095584.db2.gz FRWAJVDQHUMRBK-SECBINFHSA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cn[nH]n2)C1 ZINC000616627457 351095587 /nfs/dbraw/zinc/09/55/87/351095587.db2.gz FRWAJVDQHUMRBK-SECBINFHSA-N 2 2 209.297 0.333 10 0 BCAELP CC1(C2CC[NH+](CC[NH3+])CC2)OCCO1 ZINC000306669037 353033299 /nfs/dbraw/zinc/03/32/99/353033299.db2.gz KSOSDIBJMBBJDN-UHFFFAOYSA-N 2 2 214.309 0.420 10 0 BCAELP COCC[NH+](CCOC)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042442594 187947403 /nfs/dbraw/zinc/94/74/03/187947403.db2.gz PQDSBCPKDFMTAX-RYUDHWBXSA-N 2 2 230.352 0.851 10 0 BCAELP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000638896464 353057555 /nfs/dbraw/zinc/05/75/55/353057555.db2.gz ZGGUTGKCKKMKAZ-WDEREUQCSA-N 2 2 236.319 0.326 10 0 BCAELP CCc1[nH+]ccn1-c1nccnc1C[NH3+] ZINC000054378307 188354218 /nfs/dbraw/zinc/35/42/18/188354218.db2.gz UDLYCEJUULARJY-UHFFFAOYSA-N 2 2 203.249 0.683 10 0 BCAELP Cn1c2ccccc2[nH+]c1N1CCO[C@H](C[NH3+])C1 ZINC000165841354 353739066 /nfs/dbraw/zinc/73/90/66/353739066.db2.gz UNLIXENTTLEEGB-SNVBAGLBSA-N 2 2 246.314 0.737 10 0 BCAELP NC(=O)C1([N@@H+]2CCC[NH2+]CC2)CCCCCC1 ZINC000037943804 181214180 /nfs/dbraw/zinc/21/41/80/181214180.db2.gz BWBALUVHJPNNKW-UHFFFAOYSA-N 2 2 239.363 0.860 10 0 BCAELP NC(=O)C1([N@H+]2CCC[NH2+]CC2)CCCCCC1 ZINC000037943804 181214181 /nfs/dbraw/zinc/21/41/81/181214181.db2.gz BWBALUVHJPNNKW-UHFFFAOYSA-N 2 2 239.363 0.860 10 0 BCAELP NC(=O)[C@@H]([NH3+])CC[NH+]1Cc2ccccc2C1 ZINC000062531226 181264734 /nfs/dbraw/zinc/26/47/34/181264734.db2.gz CDRWETSMZATTHM-NSHDSACASA-N 2 2 219.288 0.205 10 0 BCAELP C[C@@H]1CCC[N@H+](CC[C@@H]([NH3+])C(N)=O)[C@@H]1C ZINC000218678173 538467047 /nfs/dbraw/zinc/46/70/47/538467047.db2.gz MMMJKSAGCWIHOB-OPRDCNLKSA-N 2 2 213.325 0.310 10 0 BCAELP C[C@@H]1CCC[N@@H+](CC[C@@H]([NH3+])C(N)=O)[C@@H]1C ZINC000218678173 538467050 /nfs/dbraw/zinc/46/70/50/538467050.db2.gz MMMJKSAGCWIHOB-OPRDCNLKSA-N 2 2 213.325 0.310 10 0 BCAELP CC(C)[NH+](C(C)C)[C@@H]1C[NH2+]CC[C@H]1O ZINC000675060828 538486795 /nfs/dbraw/zinc/48/67/95/538486795.db2.gz QELPDULJNUJFSN-GHMZBOCLSA-N 2 2 200.326 0.828 10 0 BCAELP CCn1ncc(Cl)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077929 538514292 /nfs/dbraw/zinc/51/42/92/538514292.db2.gz KAKHGJQGYJNCJO-QMMMGPOBSA-N 2 2 226.711 0.870 10 0 BCAELP CCn1cc[nH+]c1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675076979 538512100 /nfs/dbraw/zinc/51/21/00/538512100.db2.gz IAPNHYPFKFQUKB-SNVBAGLBSA-N 2 2 207.277 0.336 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000393239603 357279747 /nfs/dbraw/zinc/27/97/47/357279747.db2.gz NEQQQFXGFJDVEB-QWRGUYRKSA-N 2 2 200.326 0.953 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000393239603 357279751 /nfs/dbraw/zinc/27/97/51/357279751.db2.gz NEQQQFXGFJDVEB-QWRGUYRKSA-N 2 2 200.326 0.953 10 0 BCAELP CC(C)(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321369779 538868815 /nfs/dbraw/zinc/86/88/15/538868815.db2.gz OPGSZCKWCHICAI-UHFFFAOYSA-N 2 2 227.352 0.572 10 0 BCAELP [NH3+][C@@H]1C[C@H]([NH+]2CCOCC2)C12CCOCC2 ZINC000685949196 538892595 /nfs/dbraw/zinc/89/25/95/538892595.db2.gz LQCHJNXEWSMWIL-MNOVXSKESA-N 2 2 226.320 0.215 10 0 BCAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000233488223 357725663 /nfs/dbraw/zinc/72/56/63/357725663.db2.gz DMXRGIAAOFGTID-OLZOCXBDSA-N 3 2 243.395 0.814 10 0 BCAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000233488223 357725669 /nfs/dbraw/zinc/72/56/69/357725669.db2.gz DMXRGIAAOFGTID-OLZOCXBDSA-N 3 2 243.395 0.814 10 0 BCAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226057797 358332591 /nfs/dbraw/zinc/33/25/91/358332591.db2.gz YXIVDUGQFGJFQH-IJLUTSLNSA-N 2 2 212.337 0.974 10 0 BCAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226057797 358332595 /nfs/dbraw/zinc/33/25/95/358332595.db2.gz YXIVDUGQFGJFQH-IJLUTSLNSA-N 2 2 212.337 0.974 10 0 BCAELP CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226046492 358333173 /nfs/dbraw/zinc/33/31/73/358333173.db2.gz SRZMWBVUJQWRGV-CHWSQXEVSA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226046492 358333175 /nfs/dbraw/zinc/33/31/75/358333175.db2.gz SRZMWBVUJQWRGV-CHWSQXEVSA-N 2 2 244.379 0.848 10 0 BCAELP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)[NH+](C)C ZINC000226228753 358335696 /nfs/dbraw/zinc/33/56/96/358335696.db2.gz HDZZXAGLMHHXAI-HBNTYKKESA-N 2 2 200.326 0.830 10 0 BCAELP COC(=O)CC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000044559187 358391042 /nfs/dbraw/zinc/39/10/42/358391042.db2.gz IPLBJLHXUXYABO-VIFPVBQESA-N 2 2 200.282 0.363 10 0 BCAELP COC(=O)CC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000044559187 358391046 /nfs/dbraw/zinc/39/10/46/358391046.db2.gz IPLBJLHXUXYABO-VIFPVBQESA-N 2 2 200.282 0.363 10 0 BCAELP CC(C)([NH3+])CC[N@@H+]1CCC[S@](=O)CC1 ZINC000306489574 360180804 /nfs/dbraw/zinc/18/08/04/360180804.db2.gz TWCBWDCNSBFPIQ-AWEZNQCLSA-N 2 2 218.366 0.568 10 0 BCAELP CC(C)([NH3+])CC[N@H+]1CCC[S@](=O)CC1 ZINC000306489574 360180806 /nfs/dbraw/zinc/18/08/06/360180806.db2.gz TWCBWDCNSBFPIQ-AWEZNQCLSA-N 2 2 218.366 0.568 10 0 BCAELP CO[C@@H]1C[N@H+](CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364789 364083165 /nfs/dbraw/zinc/08/31/65/364083165.db2.gz VXVRSFXBMWYDFF-NWDGAFQWSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@@H]1C[N@@H+](CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364789 364083170 /nfs/dbraw/zinc/08/31/70/364083170.db2.gz VXVRSFXBMWYDFF-NWDGAFQWSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@H]1C[N@H+](CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364792 364083513 /nfs/dbraw/zinc/08/35/13/364083513.db2.gz VXVRSFXBMWYDFF-VXGBXAGGSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@H]1C[N@@H+](CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364792 364083516 /nfs/dbraw/zinc/08/35/16/364083516.db2.gz VXVRSFXBMWYDFF-VXGBXAGGSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@H]1C[N@H+](CCOCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630364673 364083582 /nfs/dbraw/zinc/08/35/82/364083582.db2.gz QCTKOUTZWVDGIA-CHWSQXEVSA-N 2 2 242.363 0.851 10 0 BCAELP CO[C@H]1C[N@@H+](CCOCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630364673 364083586 /nfs/dbraw/zinc/08/35/86/364083586.db2.gz QCTKOUTZWVDGIA-CHWSQXEVSA-N 2 2 242.363 0.851 10 0 BCAELP [NH3+]CC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037045732 181354943 /nfs/dbraw/zinc/35/49/43/181354943.db2.gz NNMXROBRNRSDPE-DTWKUNHWSA-N 2 2 208.265 0.052 10 0 BCAELP Cc1nc(N2C[C@@H](C[NH3+])[C@H](C)C2)cc[nH+]1 ZINC000630552384 364246245 /nfs/dbraw/zinc/24/62/45/364246245.db2.gz FAIUQBZKGXAFEQ-PSASIEDQSA-N 2 2 206.293 0.816 10 0 BCAELP Cc1c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cnn1C ZINC000398955996 364278628 /nfs/dbraw/zinc/27/86/28/364278628.db2.gz IEWIYHHZEUEJKX-CABZTGNLSA-N 2 2 222.336 0.959 10 0 BCAELP Cn1c[nH+]cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246620422 364603899 /nfs/dbraw/zinc/60/38/99/364603899.db2.gz YUQRZEDVCBMXDG-NSHDSACASA-N 2 2 220.320 0.700 10 0 BCAELP Cn1c[nH+]cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246620422 364603903 /nfs/dbraw/zinc/60/39/03/364603903.db2.gz YUQRZEDVCBMXDG-NSHDSACASA-N 2 2 220.320 0.700 10 0 BCAELP [NH3+]CCC[N@H+](CC(=O)N1CCCCC1)C1CC1 ZINC000036732147 181379735 /nfs/dbraw/zinc/37/97/35/181379735.db2.gz MMDJJHWSPQJCJP-UHFFFAOYSA-N 2 2 239.363 0.812 10 0 BCAELP [NH3+]CCC[N@@H+](CC(=O)N1CCCCC1)C1CC1 ZINC000036732147 181379737 /nfs/dbraw/zinc/37/97/37/181379737.db2.gz MMDJJHWSPQJCJP-UHFFFAOYSA-N 2 2 239.363 0.812 10 0 BCAELP [NH3+]CC[N@H+](CC(=O)NCC1CC1)C1CCCC1 ZINC000070975434 181390393 /nfs/dbraw/zinc/39/03/93/181390393.db2.gz LHWHQISPDOCRBV-UHFFFAOYSA-N 2 2 239.363 0.716 10 0 BCAELP [NH3+]CC[N@@H+](CC(=O)NCC1CC1)C1CCCC1 ZINC000070975434 181390395 /nfs/dbraw/zinc/39/03/95/181390395.db2.gz LHWHQISPDOCRBV-UHFFFAOYSA-N 2 2 239.363 0.716 10 0 BCAELP [NH3+]CC[NH2+]Cc1cccc2c1OCCO2 ZINC000037712800 181397560 /nfs/dbraw/zinc/39/75/60/181397560.db2.gz RWDHETMJSYRURT-UHFFFAOYSA-N 2 2 208.261 0.506 10 0 BCAELP O[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1 ZINC000675060626 541463746 /nfs/dbraw/zinc/46/37/46/541463746.db2.gz JXPVIKVXPQNYKM-NEPJUHHUSA-N 2 2 206.289 0.499 10 0 BCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544626 369013921 /nfs/dbraw/zinc/01/39/21/369013921.db2.gz DRMNDOZVZWCTHF-NXEZZACHSA-N 2 2 236.319 0.506 10 0 BCAELP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000631836996 369091727 /nfs/dbraw/zinc/09/17/27/369091727.db2.gz LINQNLLGQDHIJF-NEPJUHHUSA-N 3 2 236.363 0.879 10 0 BCAELP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000631836996 369091732 /nfs/dbraw/zinc/09/17/32/369091732.db2.gz LINQNLLGQDHIJF-NEPJUHHUSA-N 3 2 236.363 0.879 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307948920 370069144 /nfs/dbraw/zinc/06/91/44/370069144.db2.gz PMWMSTVVDGRBKJ-DTWKUNHWSA-N 2 2 240.269 0.984 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307948920 370069147 /nfs/dbraw/zinc/06/91/47/370069147.db2.gz PMWMSTVVDGRBKJ-DTWKUNHWSA-N 2 2 240.269 0.984 10 0 BCAELP c1c[nH]c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000309525205 370221711 /nfs/dbraw/zinc/22/17/11/370221711.db2.gz CJHMWCPIOPZPBE-SECBINFHSA-N 2 2 217.276 0.711 10 0 BCAELP C[C@@H](C[N@@H+]1CC[NH2+]C[C@@H](C)C1)[S@@](C)=O ZINC000228655214 372064164 /nfs/dbraw/zinc/06/41/64/372064164.db2.gz DWRMGNVRGNATGG-ISTVAULSSA-N 2 2 218.366 0.295 10 0 BCAELP C[C@@H](C[N@H+]1CC[NH2+]C[C@@H](C)C1)[S@@](C)=O ZINC000228655214 372064168 /nfs/dbraw/zinc/06/41/68/372064168.db2.gz DWRMGNVRGNATGG-ISTVAULSSA-N 2 2 218.366 0.295 10 0 BCAELP Cc1noc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631838031 372620587 /nfs/dbraw/zinc/62/05/87/372620587.db2.gz ILOVKZPSHLIZGA-IONNQARKSA-N 2 2 210.281 0.405 10 0 BCAELP Cc1noc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631838031 372620591 /nfs/dbraw/zinc/62/05/91/372620591.db2.gz ILOVKZPSHLIZGA-IONNQARKSA-N 2 2 210.281 0.405 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838362 372631713 /nfs/dbraw/zinc/63/17/13/372631713.db2.gz MZOAHIQSNQSNLQ-KOLCDFICSA-N 2 2 237.351 0.633 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838362 372631716 /nfs/dbraw/zinc/63/17/16/372631716.db2.gz MZOAHIQSNQSNLQ-KOLCDFICSA-N 2 2 237.351 0.633 10 0 BCAELP CCOCCC[N@@H+]1CCO[C@@H](C[NH2+]C)C1 ZINC000071519822 170373495 /nfs/dbraw/zinc/37/34/95/170373495.db2.gz OMXKUOHVXWNQRW-NSHDSACASA-N 2 2 216.325 0.333 10 0 BCAELP CCOCCC[N@H+]1CCO[C@@H](C[NH2+]C)C1 ZINC000071519822 170373496 /nfs/dbraw/zinc/37/34/96/170373496.db2.gz OMXKUOHVXWNQRW-NSHDSACASA-N 2 2 216.325 0.333 10 0 BCAELP CCOCCC[N@H+]1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000071519824 170374511 /nfs/dbraw/zinc/37/45/11/170374511.db2.gz PVRFZHGKWFPWIT-GHMZBOCLSA-N 2 2 216.325 0.461 10 0 BCAELP OC[C@H](c1cccnc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117445 183144721 /nfs/dbraw/zinc/14/47/21/183144721.db2.gz WUXPJHFATGWHTN-GFCCVEGCSA-N 2 2 221.304 0.410 10 0 BCAELP OC[C@H](c1cccnc1)[N@H+]1CCC[NH2+]CC1 ZINC000038117445 183144723 /nfs/dbraw/zinc/14/47/23/183144723.db2.gz WUXPJHFATGWHTN-GFCCVEGCSA-N 2 2 221.304 0.410 10 0 BCAELP O[C@@H](CNCc1[nH]cc[nH+]1)C[NH+]1CCCCC1 ZINC000171378839 183179892 /nfs/dbraw/zinc/17/98/92/183179892.db2.gz RMHDKPPLVAQGQT-NSHDSACASA-N 2 2 238.335 0.346 10 0 BCAELP O[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000051770042 183190661 /nfs/dbraw/zinc/19/06/61/183190661.db2.gz HCMUPOLEXSMXJK-VXGBXAGGSA-N 2 2 212.337 0.975 10 0 BCAELP CCC[N@H+](CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000037981885 169156096 /nfs/dbraw/zinc/15/60/96/169156096.db2.gz DYIFYOJPEZVUDG-JTQLQIEISA-N 2 2 234.365 0.234 10 0 BCAELP CCC[N@@H+](CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000037981885 169156097 /nfs/dbraw/zinc/15/60/97/169156097.db2.gz DYIFYOJPEZVUDG-JTQLQIEISA-N 2 2 234.365 0.234 10 0 BCAELP CCC[N@H+]([C@@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000104344940 169181809 /nfs/dbraw/zinc/18/18/09/169181809.db2.gz KOXYEKFMZMKLTC-NWDGAFQWSA-N 2 2 241.379 0.927 10 0 BCAELP CCC[N@@H+]([C@@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000104344940 169181812 /nfs/dbraw/zinc/18/18/12/169181812.db2.gz KOXYEKFMZMKLTC-NWDGAFQWSA-N 2 2 241.379 0.927 10 0 BCAELP CCCNC(=O)C[NH2+]CCC[NH+](C)C ZINC000020054138 169226028 /nfs/dbraw/zinc/22/60/28/169226028.db2.gz VJUQOJTZKQYNLQ-UHFFFAOYSA-N 2 2 201.314 0.054 10 0 BCAELP [NH3+]C1(C(=O)N2CCn3cc[nH+]c3C2)CCC1 ZINC000088051099 383877858 /nfs/dbraw/zinc/87/78/58/383877858.db2.gz OCNXGLTVEBYNOW-UHFFFAOYSA-N 2 2 220.276 0.107 10 0 BCAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[NH+](C)C)OCCO2 ZINC000043815907 384304339 /nfs/dbraw/zinc/30/43/39/384304339.db2.gz VVVLYOVSAAKPCH-ZJUUUORDSA-N 2 2 214.309 0.432 10 0 BCAELP [NH3+]C[C@H]1CCC[N@H+](CC(=O)c2ccc[nH]2)C1 ZINC000095072541 384343485 /nfs/dbraw/zinc/34/34/85/384343485.db2.gz VMQMBSULQCPXDO-SNVBAGLBSA-N 2 2 221.304 0.868 10 0 BCAELP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)c2ccc[nH]2)C1 ZINC000095072541 384343487 /nfs/dbraw/zinc/34/34/87/384343487.db2.gz VMQMBSULQCPXDO-SNVBAGLBSA-N 2 2 221.304 0.868 10 0 BCAELP O=C(C[NH2+]C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072800 384345883 /nfs/dbraw/zinc/34/58/83/384345883.db2.gz OVIOOQNWGRMSHE-JTQLQIEISA-N 2 2 234.303 0.249 10 0 BCAELP O=C(C[NH2+]C1CC[NH2+]CC1)c1ccc[nH]1 ZINC000095072761 384346525 /nfs/dbraw/zinc/34/65/25/384346525.db2.gz PZTNKVJAVHZPHY-UHFFFAOYSA-N 2 2 207.277 0.539 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000335589002 384348833 /nfs/dbraw/zinc/34/88/33/384348833.db2.gz KFADBFZWVGCJNT-CMPLNLGQSA-N 2 2 223.320 0.894 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000335589002 384348842 /nfs/dbraw/zinc/34/88/42/384348842.db2.gz KFADBFZWVGCJNT-CMPLNLGQSA-N 2 2 223.320 0.894 10 0 BCAELP CC[C@H]([NH3+])C[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000095930134 384409862 /nfs/dbraw/zinc/40/98/62/384409862.db2.gz BRSLWKWNVWIWSD-YUMQZZPRSA-N 2 2 202.298 0.783 10 0 BCAELP CS(=O)(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC000044470103 384733978 /nfs/dbraw/zinc/73/39/78/384733978.db2.gz YWVWBMPSAZMKBB-VIFPVBQESA-N 2 2 214.290 0.049 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325664 384752310 /nfs/dbraw/zinc/75/23/10/384752310.db2.gz FDNMYSUQXVVNIC-VGMNWLOBSA-N 2 2 200.282 0.075 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325664 384752317 /nfs/dbraw/zinc/75/23/17/384752317.db2.gz FDNMYSUQXVVNIC-VGMNWLOBSA-N 2 2 200.282 0.075 10 0 BCAELP Cc1cnn(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000309798187 384837384 /nfs/dbraw/zinc/83/73/84/384837384.db2.gz QQDPWWQFPLJFKF-VXGBXAGGSA-N 2 2 222.336 0.731 10 0 BCAELP Cc1cnn(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000309798187 384837389 /nfs/dbraw/zinc/83/73/89/384837389.db2.gz QQDPWWQFPLJFKF-VXGBXAGGSA-N 2 2 222.336 0.731 10 0 BCAELP [NH3+]CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000258935105 384951801 /nfs/dbraw/zinc/95/18/01/384951801.db2.gz KAWPMICOZDOUHI-UHFFFAOYSA-N 2 2 221.308 0.838 10 0 BCAELP [NH3+]CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000258935105 384951807 /nfs/dbraw/zinc/95/18/07/384951807.db2.gz KAWPMICOZDOUHI-UHFFFAOYSA-N 2 2 221.308 0.838 10 0 BCAELP CC[N@H+](CCO)CCNc1cc(C)[nH+]cn1 ZINC000302232308 384985796 /nfs/dbraw/zinc/98/57/96/384985796.db2.gz YJFIUSACUQIQFM-UHFFFAOYSA-N 2 2 224.308 0.511 10 0 BCAELP CC[N@@H+](CCO)CCNc1cc(C)[nH+]cn1 ZINC000302232308 384985805 /nfs/dbraw/zinc/98/58/05/384985805.db2.gz YJFIUSACUQIQFM-UHFFFAOYSA-N 2 2 224.308 0.511 10 0 BCAELP C[C@H]([NH2+]C1CC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000336231692 385030815 /nfs/dbraw/zinc/03/08/15/385030815.db2.gz MPGCXZGOWPVFHO-VIFPVBQESA-N 2 2 234.303 0.366 10 0 BCAELP C[C@@H]([NH2+]C1CC1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000336231691 385031132 /nfs/dbraw/zinc/03/11/32/385031132.db2.gz MPGCXZGOWPVFHO-SECBINFHSA-N 2 2 234.303 0.366 10 0 BCAELP [NH3+]CCS(=O)(=O)c1cccc2[nH+]ccn21 ZINC000059047403 385040845 /nfs/dbraw/zinc/04/08/45/385040845.db2.gz ADSOUFCOLUNVIM-UHFFFAOYSA-N 2 2 225.273 0.067 10 0 BCAELP [NH3+][C@@H]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000157257932 385117753 /nfs/dbraw/zinc/11/77/53/385117753.db2.gz IPJMPPZDAIRLNT-VHSXEESVSA-N 2 2 236.319 0.586 10 0 BCAELP c1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000377523892 385096023 /nfs/dbraw/zinc/09/60/23/385096023.db2.gz MLBUUXYZLZJNSY-JTQLQIEISA-N 2 2 217.276 0.711 10 0 BCAELP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1csnn1)C2 ZINC000309611494 385746104 /nfs/dbraw/zinc/74/61/04/385746104.db2.gz MULFHWFFZVJDSF-MRVPVSSYSA-N 2 2 235.316 0.839 10 0 BCAELP Oc1cc(F)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263301586 385822619 /nfs/dbraw/zinc/82/26/19/385822619.db2.gz XCBMMILMLKKGHO-SKDRFNHKSA-N 2 2 240.278 0.201 10 0 BCAELP Cc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000310095047 386096146 /nfs/dbraw/zinc/09/61/46/386096146.db2.gz HQVHIHLWJXYQQH-CBAPKCEASA-N 2 2 236.323 0.149 10 0 BCAELP Cc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(N)[nH+]1 ZINC000310679362 386222263 /nfs/dbraw/zinc/22/22/63/386222263.db2.gz LOWBBSMNRZKKBC-JTQLQIEISA-N 2 2 248.334 0.437 10 0 BCAELP Cc1nc(N2CC[N@H+]3CCCC[C@H]3C2)nc(N)[nH+]1 ZINC000310679362 386222267 /nfs/dbraw/zinc/22/22/67/386222267.db2.gz LOWBBSMNRZKKBC-JTQLQIEISA-N 2 2 248.334 0.437 10 0 BCAELP O=C([C@H]1CCC[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000062254712 386507465 /nfs/dbraw/zinc/50/74/65/386507465.db2.gz FMEXBDOXULQGRI-JTQLQIEISA-N 2 2 234.303 0.225 10 0 BCAELP O=C([C@H]1CCCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254706 386507795 /nfs/dbraw/zinc/50/77/95/386507795.db2.gz DTWIWCUKRGSDGP-SNVBAGLBSA-N 2 2 234.303 0.367 10 0 BCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000238855478 386537544 /nfs/dbraw/zinc/53/75/44/386537544.db2.gz SADIJZYBXRUBQD-IUCAKERBSA-N 2 2 212.272 0.291 10 0 BCAELP NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123448784 386554944 /nfs/dbraw/zinc/55/49/44/386554944.db2.gz MMJNDYISZOFIEI-LBPRGKRZSA-N 2 2 233.315 0.709 10 0 BCAELP NC(=O)c1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000123448784 386554948 /nfs/dbraw/zinc/55/49/48/386554948.db2.gz MMJNDYISZOFIEI-LBPRGKRZSA-N 2 2 233.315 0.709 10 0 BCAELP [NH3+][C@@H]1CC[N@H+](CC2SCCS2)C1 ZINC000575497154 387326313 /nfs/dbraw/zinc/32/63/13/387326313.db2.gz DVMVHHKCLKVMAF-SSDOTTSWSA-N 2 2 204.364 0.826 10 0 BCAELP [NH3+][C@@H]1CC[N@@H+](CC2SCCS2)C1 ZINC000575497154 387326317 /nfs/dbraw/zinc/32/63/17/387326317.db2.gz DVMVHHKCLKVMAF-SSDOTTSWSA-N 2 2 204.364 0.826 10 0 BCAELP [NH3+][C@H]1CC[N@H+](CC2SCCS2)C1 ZINC000575497159 387326854 /nfs/dbraw/zinc/32/68/54/387326854.db2.gz DVMVHHKCLKVMAF-ZETCQYMHSA-N 2 2 204.364 0.826 10 0 BCAELP [NH3+][C@H]1CC[N@@H+](CC2SCCS2)C1 ZINC000575497159 387326859 /nfs/dbraw/zinc/32/68/59/387326859.db2.gz DVMVHHKCLKVMAF-ZETCQYMHSA-N 2 2 204.364 0.826 10 0 BCAELP C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000440943766 387714394 /nfs/dbraw/zinc/71/43/94/387714394.db2.gz RKKVZEYNWXPIIG-NEPJUHHUSA-N 2 2 239.363 0.729 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085013082 388083225 /nfs/dbraw/zinc/08/32/25/388083225.db2.gz KLEVYSYAAVYGNF-IUCAKERBSA-N 2 2 222.292 0.164 10 0 BCAELP COc1ccc[nH+]c1NCCOCCC[NH3+] ZINC000630537403 388461675 /nfs/dbraw/zinc/46/16/75/388461675.db2.gz NIUQBKNAVCBENC-UHFFFAOYSA-N 2 2 225.292 0.868 10 0 BCAELP CC(C)(C)OC(=O)N[C@@H]([NH3+])C(C)(C)C[NH3+] ZINC000064033595 388664569 /nfs/dbraw/zinc/66/45/69/388664569.db2.gz HXVYTJHVDCUEED-SSDOTTSWSA-N 2 2 217.313 0.781 10 0 BCAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226230342 388711063 /nfs/dbraw/zinc/71/10/63/388711063.db2.gz FIFIRSOZDVKCTL-YNEHKIRRSA-N 2 2 241.379 0.125 10 0 BCAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226230342 388711065 /nfs/dbraw/zinc/71/10/65/388711065.db2.gz FIFIRSOZDVKCTL-YNEHKIRRSA-N 2 2 241.379 0.125 10 0 BCAELP Cc1cccc(N2CC[NH+](C[C@H](O)C[NH3+])CC2)c1 ZINC000019263250 132324425 /nfs/dbraw/zinc/32/44/25/132324425.db2.gz NZLFMCNWATUJMA-CQSZACIVSA-N 2 2 249.358 0.437 10 0 BCAELP Cc1cccc(N2CCN(CC[NH3+])CC2)[nH+]1 ZINC000037670386 132345054 /nfs/dbraw/zinc/34/50/54/132345054.db2.gz JWFYLRILNVZQJU-UHFFFAOYSA-N 2 2 220.320 0.471 10 0 BCAELP Cc1ccc(N2CCO[C@H](C[NH3+])C2)[nH+]c1 ZINC000041059062 132349603 /nfs/dbraw/zinc/34/96/03/132349603.db2.gz ILQLGQOCGODKII-SNVBAGLBSA-N 2 2 207.277 0.554 10 0 BCAELP Cc1nc(N2CCC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000054936836 132365182 /nfs/dbraw/zinc/36/51/82/132365182.db2.gz OGNVMOFHXZLPND-JTQLQIEISA-N 2 2 206.293 0.960 10 0 BCAELP Cc1ccc[nH+]c1N1CCN([C@H](C)C[NH3+])CC1 ZINC000058022108 132367719 /nfs/dbraw/zinc/36/77/19/132367719.db2.gz WPHCDJQEZYQMEO-GFCCVEGCSA-N 2 2 234.347 0.859 10 0 BCAELP [NH3+]Cc1cc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000060382313 132368719 /nfs/dbraw/zinc/36/87/19/132368719.db2.gz LNAMTPRYUUXVMU-LLVKDONJSA-N 2 2 207.277 0.501 10 0 BCAELP CCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168806256 134246991 /nfs/dbraw/zinc/24/69/91/134246991.db2.gz CZWJOTLUPVOIOL-SNVBAGLBSA-N 2 2 213.325 0.196 10 0 BCAELP CCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168806256 134246992 /nfs/dbraw/zinc/24/69/92/134246992.db2.gz CZWJOTLUPVOIOL-SNVBAGLBSA-N 2 2 213.325 0.196 10 0 BCAELP CN(c1[nH]c2ccccc2[nH+]1)C1C[NH2+]C1 ZINC000085258504 134272851 /nfs/dbraw/zinc/27/28/51/134272851.db2.gz WABDIIYTQKWEIM-UHFFFAOYSA-N 2 2 202.261 0.971 10 0 BCAELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000179506327 134321096 /nfs/dbraw/zinc/32/10/96/134321096.db2.gz IUORZBYFERPDJU-GHMZBOCLSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000179506327 134321097 /nfs/dbraw/zinc/32/10/97/134321097.db2.gz IUORZBYFERPDJU-GHMZBOCLSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000223822904 134343237 /nfs/dbraw/zinc/34/32/37/134343237.db2.gz HGVTUKHHZKGYHX-GMTAPVOTSA-N 2 2 248.392 0.492 10 0 BCAELP Cc1cccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)[nH+]1 ZINC000257679666 135138931 /nfs/dbraw/zinc/13/89/31/135138931.db2.gz GQYOOUCZWPYJTH-CYBMUJFWSA-N 2 2 246.358 0.874 10 0 BCAELP C[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257800685 135141813 /nfs/dbraw/zinc/14/18/13/135141813.db2.gz YLVIGKLJGVMZHT-WDEREUQCSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257800685 135141814 /nfs/dbraw/zinc/14/18/14/135141814.db2.gz YLVIGKLJGVMZHT-WDEREUQCSA-N 2 2 225.336 0.149 10 0 BCAELP C[N@H+](Cc1noc(C[NH3+])n1)C1CCCC1 ZINC000261534238 135166831 /nfs/dbraw/zinc/16/68/31/135166831.db2.gz LYGTXWOONTVSAQ-UHFFFAOYSA-N 2 2 210.281 0.903 10 0 BCAELP C[N@@H+](Cc1noc(C[NH3+])n1)C1CCCC1 ZINC000261534238 135166832 /nfs/dbraw/zinc/16/68/32/135166832.db2.gz LYGTXWOONTVSAQ-UHFFFAOYSA-N 2 2 210.281 0.903 10 0 BCAELP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](CO)O1 ZINC000261535195 135168985 /nfs/dbraw/zinc/16/89/85/135168985.db2.gz WDTZJAAUROPZJX-GRYCIOLGSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](CO)O1 ZINC000261535195 135168987 /nfs/dbraw/zinc/16/89/87/135168987.db2.gz WDTZJAAUROPZJX-GRYCIOLGSA-N 2 2 228.336 0.068 10 0 BCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261560759 135201664 /nfs/dbraw/zinc/20/16/64/135201664.db2.gz UUUGAFZTGKZAJM-VXGBXAGGSA-N 2 2 239.363 0.300 10 0 BCAELP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261560759 135201665 /nfs/dbraw/zinc/20/16/65/135201665.db2.gz UUUGAFZTGKZAJM-VXGBXAGGSA-N 2 2 239.363 0.300 10 0 BCAELP Cc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000261560945 135202132 /nfs/dbraw/zinc/20/21/32/135202132.db2.gz AJZSYSGNHQGHFP-MNOVXSKESA-N 2 2 218.304 0.831 10 0 BCAELP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000261562068 135203858 /nfs/dbraw/zinc/20/38/58/135203858.db2.gz VZHSIHWXEWWYME-WCQYABFASA-N 2 2 234.347 0.912 10 0 BCAELP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000261562068 135203859 /nfs/dbraw/zinc/20/38/59/135203859.db2.gz VZHSIHWXEWWYME-WCQYABFASA-N 2 2 234.347 0.912 10 0 BCAELP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000261562534 135204618 /nfs/dbraw/zinc/20/46/18/135204618.db2.gz BIZQTWSKDHPYCR-DCAQKATOSA-N 2 2 218.304 0.959 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261594503 135235249 /nfs/dbraw/zinc/23/52/49/135235249.db2.gz XPWXRLBVJUZIBD-ZYHUDNBSSA-N 2 2 222.336 0.958 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261594503 135235250 /nfs/dbraw/zinc/23/52/50/135235250.db2.gz XPWXRLBVJUZIBD-ZYHUDNBSSA-N 2 2 222.336 0.958 10 0 BCAELP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1[NH3+] ZINC000261690801 135246241 /nfs/dbraw/zinc/24/62/41/135246241.db2.gz AXRUBIWZVJBMMK-KOLCDFICSA-N 2 2 245.330 0.747 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1[NH3+] ZINC000261690801 135246242 /nfs/dbraw/zinc/24/62/42/135246242.db2.gz AXRUBIWZVJBMMK-KOLCDFICSA-N 2 2 245.330 0.747 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000261906242 135261581 /nfs/dbraw/zinc/26/15/81/135261581.db2.gz ZDHQFAWDWOXOPO-SDDRHHMPSA-N 2 2 226.320 0.086 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000261906242 135261582 /nfs/dbraw/zinc/26/15/82/135261582.db2.gz ZDHQFAWDWOXOPO-SDDRHHMPSA-N 2 2 226.320 0.086 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000261906243 135261911 /nfs/dbraw/zinc/26/19/11/135261911.db2.gz ZDHQFAWDWOXOPO-UTUOFQBUSA-N 2 2 226.320 0.086 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000261906243 135261913 /nfs/dbraw/zinc/26/19/13/135261913.db2.gz ZDHQFAWDWOXOPO-UTUOFQBUSA-N 2 2 226.320 0.086 10 0 BCAELP CCc1nc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262188956 135284970 /nfs/dbraw/zinc/28/49/70/135284970.db2.gz YEVIBOPIGLRTDW-WPRPVWTQSA-N 2 2 241.360 0.375 10 0 BCAELP Cc1ccc(N(C)C2CC[NH+](CC[NH3+])CC2)nn1 ZINC000263006670 135326805 /nfs/dbraw/zinc/32/68/05/135326805.db2.gz PHUCXQWJVKSQNQ-UHFFFAOYSA-N 2 2 249.362 0.644 10 0 BCAELP Cc1cnn([C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000263031665 135328455 /nfs/dbraw/zinc/32/84/55/135328455.db2.gz RYMDTZGIJPWTDB-NSHDSACASA-N 2 2 208.309 0.787 10 0 BCAELP Cc1cnn([C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000263031665 135328456 /nfs/dbraw/zinc/32/84/56/135328456.db2.gz RYMDTZGIJPWTDB-NSHDSACASA-N 2 2 208.309 0.787 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000382041844 398039041 /nfs/dbraw/zinc/03/90/41/398039041.db2.gz ITCHAMWSEZMZDA-RYUDHWBXSA-N 2 2 228.336 0.476 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000382041844 398039043 /nfs/dbraw/zinc/03/90/43/398039043.db2.gz ITCHAMWSEZMZDA-RYUDHWBXSA-N 2 2 228.336 0.476 10 0 BCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000384444907 398089674 /nfs/dbraw/zinc/08/96/74/398089674.db2.gz ZYOZNGLCZYDFOH-VHSXEESVSA-N 2 2 236.319 0.756 10 0 BCAELP C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000082280844 487588797 /nfs/dbraw/zinc/58/87/97/487588797.db2.gz KRRCZPVAPGCGOU-UWVGGRQHSA-N 2 2 236.319 0.597 10 0 BCAELP Cc1nc(NCC2([NH3+])CCOCC2)cc[nH+]1 ZINC000630524727 411164364 /nfs/dbraw/zinc/16/43/64/411164364.db2.gz WKCJQFHBWGHIOS-UHFFFAOYSA-N 2 2 222.292 0.705 10 0 BCAELP c1cn2c([nH+]1)CN(C[C@H]1CC[NH2+]C1)CC2 ZINC000062252227 411197188 /nfs/dbraw/zinc/19/71/88/411197188.db2.gz LVENFXPZQTXYBR-JTQLQIEISA-N 2 2 206.293 0.308 10 0 BCAELP Nc1cc([C@@H]2CCC[N@H+](CC[NH3+])CC2)[nH]n1 ZINC000616602447 411287463 /nfs/dbraw/zinc/28/74/63/411287463.db2.gz XPEBVRWCWJOPIK-SECBINFHSA-N 2 2 223.324 0.520 10 0 BCAELP Nc1cc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)[nH]n1 ZINC000616602447 411287465 /nfs/dbraw/zinc/28/74/65/411287465.db2.gz XPEBVRWCWJOPIK-SECBINFHSA-N 2 2 223.324 0.520 10 0 BCAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1C ZINC000657377749 411486479 /nfs/dbraw/zinc/48/64/79/411486479.db2.gz GANGJFJGUCEEDK-JQWIXIFHSA-N 2 2 223.320 0.979 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@H]2CCO[C@@H]2C)n1C ZINC000657422272 411502713 /nfs/dbraw/zinc/50/27/13/411502713.db2.gz VJIMIAPVLSQSER-KCJUWKMLSA-N 2 2 209.293 0.996 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC000037469364 170110022 /nfs/dbraw/zinc/11/00/22/170110022.db2.gz FFRLMTYVTAWNNE-SECBINFHSA-N 2 2 213.325 0.195 10 0 BCAELP CC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CC ZINC000003780932 170112704 /nfs/dbraw/zinc/11/27/04/170112704.db2.gz UMJJGDUYVQCBMC-UHFFFAOYSA-N 4 2 244.427 0.555 10 0 in-vitro BCAELP CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]CC)C1 ZINC000104427869 170120099 /nfs/dbraw/zinc/12/00/99/170120099.db2.gz CLKQNWINLCYSCP-RYUDHWBXSA-N 2 2 241.379 0.833 10 0 BCAELP CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]CC)C1 ZINC000104427869 170120101 /nfs/dbraw/zinc/12/01/01/170120101.db2.gz CLKQNWINLCYSCP-RYUDHWBXSA-N 2 2 241.379 0.833 10 0 BCAELP CC[NH2+][C@H]1CCC2(C[C@H]1[NH+](C)C)OCCO2 ZINC000043816103 170165822 /nfs/dbraw/zinc/16/58/22/170165822.db2.gz KMZDAHAGUNFWIN-WDEREUQCSA-N 2 2 228.336 0.822 10 0 BCAELP CC[NH2+][C@](C)(CN(C)CC[NH+](C)C)C(=O)OC ZINC000104193537 170170850 /nfs/dbraw/zinc/17/08/50/170170850.db2.gz VUUAMMAEFKHJPD-GFCCVEGCSA-N 2 2 245.367 0.021 10 0 BCAELP CCOCCC[N@@H+]1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000071519824 170374510 /nfs/dbraw/zinc/37/45/10/170374510.db2.gz PVRFZHGKWFPWIT-GHMZBOCLSA-N 2 2 216.325 0.461 10 0 BCAELP Nc1n[nH]cc1[C@@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616625513 411975556 /nfs/dbraw/zinc/97/55/56/411975556.db2.gz OWFPOYBNXXOGIT-JTQLQIEISA-N 2 2 223.324 0.868 10 0 BCAELP Nc1n[nH]cc1[C@@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616625513 411975558 /nfs/dbraw/zinc/97/55/58/411975558.db2.gz OWFPOYBNXXOGIT-JTQLQIEISA-N 2 2 223.324 0.868 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662244698 412042095 /nfs/dbraw/zinc/04/20/95/412042095.db2.gz JTASGPQKCJQDIY-DTWKUNHWSA-N 2 2 220.263 0.834 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000662244698 412042096 /nfs/dbraw/zinc/04/20/96/412042096.db2.gz JTASGPQKCJQDIY-DTWKUNHWSA-N 2 2 220.263 0.834 10 0 BCAELP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254576 171394557 /nfs/dbraw/zinc/39/45/57/171394557.db2.gz CTVWTCINZUDBMM-ONGXEEELSA-N 2 2 236.319 0.599 10 0 BCAELP CC[C@H]([NH2+]C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000662468143 412184312 /nfs/dbraw/zinc/18/43/12/412184312.db2.gz ASIGVSLHCVODSW-VIFPVBQESA-N 2 2 222.292 0.223 10 0 BCAELP CCn1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nn1 ZINC000665245903 412190676 /nfs/dbraw/zinc/19/06/76/412190676.db2.gz UNDKYUYHQOWSSI-MNOVXSKESA-N 2 2 237.351 0.776 10 0 BCAELP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nn1 ZINC000665245905 412191031 /nfs/dbraw/zinc/19/10/31/412191031.db2.gz UNDKYUYHQOWSSI-WDEREUQCSA-N 2 2 237.351 0.776 10 0 BCAELP C[C@H](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000662635045 412250950 /nfs/dbraw/zinc/25/09/50/412250950.db2.gz UMYLPPCCWJNAPM-BDAKNGLRSA-N 2 2 249.305 0.440 10 0 BCAELP C[C@H](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000662635048 412251013 /nfs/dbraw/zinc/25/10/13/412251013.db2.gz UMYLPPCCWJNAPM-RKDXNWHRSA-N 2 2 249.305 0.440 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616629792 412299482 /nfs/dbraw/zinc/29/94/82/412299482.db2.gz UUPOCQHYCYNIPG-JTQLQIEISA-N 2 2 223.324 0.635 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](Nc2cc[nH]n2)CC1 ZINC000616629792 412299485 /nfs/dbraw/zinc/29/94/85/412299485.db2.gz UUPOCQHYCYNIPG-JTQLQIEISA-N 2 2 223.324 0.635 10 0 BCAELP Cc1cc[nH+]c(NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000663277189 412406384 /nfs/dbraw/zinc/40/63/84/412406384.db2.gz LFUPHTDMNWUTKW-UHFFFAOYSA-N 2 2 245.286 0.956 10 0 BCAELP CCc1nc(NCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328587 172009546 /nfs/dbraw/zinc/00/95/46/172009546.db2.gz GMLXXMZUKCYZQZ-UHFFFAOYSA-N 2 2 206.293 0.898 10 0 BCAELP CCn1cc[nH+]c1Cn1cc(C[NH3+])nn1 ZINC000054743918 172226016 /nfs/dbraw/zinc/22/60/16/172226016.db2.gz UKVVTIUKHAQTNO-UHFFFAOYSA-N 2 2 206.253 0.002 10 0 BCAELP C[NH+](C)CC[NH2+]CCN1CCO[C@H]2CCC[C@@H]21 ZINC000053425968 172465152 /nfs/dbraw/zinc/46/51/52/172465152.db2.gz QTKZNRVJWWUKLG-STQMWFEESA-N 2 2 241.379 0.391 10 0 BCAELP CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])c1ccncc1 ZINC000062248053 172931492 /nfs/dbraw/zinc/93/14/92/172931492.db2.gz ICSMFJVBYQLPNW-LBPRGKRZSA-N 2 2 245.330 0.947 10 0 BCAELP C[NH+]1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000037249919 172993974 /nfs/dbraw/zinc/99/39/74/172993974.db2.gz YANCNBUKMFSXPO-UHFFFAOYSA-N 2 2 225.336 0.293 10 0 BCAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1COCCO1 ZINC000054243350 173009452 /nfs/dbraw/zinc/00/94/52/173009452.db2.gz VZIVGYXRBPNWBB-NWDGAFQWSA-N 2 2 228.336 0.476 10 0 BCAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1COCCO1 ZINC000054243350 173009455 /nfs/dbraw/zinc/00/94/55/173009455.db2.gz VZIVGYXRBPNWBB-NWDGAFQWSA-N 2 2 228.336 0.476 10 0 BCAELP C[N@@H+]1CCCN(c2ccc(N)[nH+]c2)CC1 ZINC000020217469 173018858 /nfs/dbraw/zinc/01/88/58/173018858.db2.gz BHUYASDXLJHAEN-UHFFFAOYSA-N 2 2 206.293 0.806 10 0 BCAELP C[N@H+]1CCCN(c2ccc(N)[nH+]c2)CC1 ZINC000020217469 173018861 /nfs/dbraw/zinc/01/88/61/173018861.db2.gz BHUYASDXLJHAEN-UHFFFAOYSA-N 2 2 206.293 0.806 10 0 BCAELP Cn1cnnc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243279 173041326 /nfs/dbraw/zinc/04/13/26/173041326.db2.gz LJXNRZLIADOLMP-SNVBAGLBSA-N 2 2 223.324 0.247 10 0 BCAELP Cn1cnnc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243279 173041328 /nfs/dbraw/zinc/04/13/28/173041328.db2.gz LJXNRZLIADOLMP-SNVBAGLBSA-N 2 2 223.324 0.247 10 0 BCAELP C[N@@H+]1CCc2nc([C@@H]([NH3+])CO)sc2C1 ZINC000076136103 173174711 /nfs/dbraw/zinc/17/47/11/173174711.db2.gz GDEJEXWJZOMEFB-LURJTMIESA-N 2 2 213.306 0.123 10 0 BCAELP C[N@H+]1CCc2nc([C@@H]([NH3+])CO)sc2C1 ZINC000076136103 173174716 /nfs/dbraw/zinc/17/47/16/173174716.db2.gz GDEJEXWJZOMEFB-LURJTMIESA-N 2 2 213.306 0.123 10 0 BCAELP CNC(=O)C1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948815 173223694 /nfs/dbraw/zinc/22/36/94/173223694.db2.gz LUPAQDIZXSVBQK-CMPLNLGQSA-N 2 2 239.363 0.585 10 0 BCAELP CNC(=O)C[N@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000037270110 173269693 /nfs/dbraw/zinc/26/96/93/173269693.db2.gz ZTFJRHNEQYMGEH-UHFFFAOYSA-N 2 2 239.294 0.462 10 0 BCAELP CNC(=O)C[N@@H+](C)Cc1cc(C[NH3+])ccc1F ZINC000037270110 173269695 /nfs/dbraw/zinc/26/96/95/173269695.db2.gz ZTFJRHNEQYMGEH-UHFFFAOYSA-N 2 2 239.294 0.462 10 0 BCAELP C[NH2+]CC[N@H+](C)CCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077423810 173353149 /nfs/dbraw/zinc/35/31/49/173353149.db2.gz FOJQYUZNALBRDY-UHFFFAOYSA-N 2 2 248.330 0.550 10 0 BCAELP C[NH2+]CC[N@@H+](C)CCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000077423810 173353150 /nfs/dbraw/zinc/35/31/50/173353150.db2.gz FOJQYUZNALBRDY-UHFFFAOYSA-N 2 2 248.330 0.550 10 0 BCAELP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601484 173379020 /nfs/dbraw/zinc/37/90/20/173379020.db2.gz RFSMQOXVQUBHQJ-VHSXEESVSA-N 2 2 213.325 0.052 10 0 BCAELP CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601484 173379022 /nfs/dbraw/zinc/37/90/22/173379022.db2.gz RFSMQOXVQUBHQJ-VHSXEESVSA-N 2 2 213.325 0.052 10 0 BCAELP C[NH2+]C[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000054937680 173381092 /nfs/dbraw/zinc/38/10/92/173381092.db2.gz XTJBRSSMOAWSQA-SNVBAGLBSA-N 2 2 206.293 0.973 10 0 BCAELP C[NH2+]C[C@H]1CC[N@@H+]([C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000053033970 173381510 /nfs/dbraw/zinc/38/15/10/173381510.db2.gz WOYVZDLXXGQJJH-MNOVXSKESA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]C[C@H]1CC[N@H+]([C@@]2(C)CCS(=O)(=O)C2)C1 ZINC000053033970 173381511 /nfs/dbraw/zinc/38/15/11/173381511.db2.gz WOYVZDLXXGQJJH-MNOVXSKESA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]Cc1cc(CN2CC[NH+](C)CC2)on1 ZINC000052379362 173386630 /nfs/dbraw/zinc/38/66/30/173386630.db2.gz ZEUWNQDOGXNMSI-UHFFFAOYSA-N 2 2 224.308 0.141 10 0 BCAELP COC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000071048142 173579961 /nfs/dbraw/zinc/57/99/61/173579961.db2.gz FMEGYDDPMLNVJJ-ZJUUUORDSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000071048142 173579963 /nfs/dbraw/zinc/57/99/63/173579963.db2.gz FMEGYDDPMLNVJJ-ZJUUUORDSA-N 2 2 214.309 0.609 10 0 BCAELP COCCC[N@H+](CCOC)[C@H]1COCC[C@@H]1[NH3+] ZINC000042421845 174225940 /nfs/dbraw/zinc/22/59/40/174225940.db2.gz ROSIEVHRJVXZPR-RYUDHWBXSA-N 2 2 246.351 0.088 10 0 BCAELP COCCC[N@@H+](CCOC)[C@H]1COCC[C@@H]1[NH3+] ZINC000042421845 174225942 /nfs/dbraw/zinc/22/59/42/174225942.db2.gz ROSIEVHRJVXZPR-RYUDHWBXSA-N 2 2 246.351 0.088 10 0 BCAELP COc1cc([C@H]([NH3+])C[NH3+])cc(OC)c1OC ZINC000035677134 175017154 /nfs/dbraw/zinc/01/71/54/175017154.db2.gz QCMLMROPOBTUCF-MRVPVSSYSA-N 2 2 226.276 0.671 10 0 BCAELP C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)[NH2+]1 ZINC000019488484 176112660 /nfs/dbraw/zinc/11/26/60/176112660.db2.gz RMRIGWPTBQXIFP-MNOVXSKESA-N 2 2 225.336 0.291 10 0 BCAELP C[C@@H]1CC[N@@H+]([C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000049664127 176180601 /nfs/dbraw/zinc/18/06/01/176180601.db2.gz FDEQCTDXYQYQKT-GHMZBOCLSA-N 2 2 246.376 0.247 10 0 BCAELP C[C@@H]1CC[N@H+]([C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000049664127 176180602 /nfs/dbraw/zinc/18/06/02/176180602.db2.gz FDEQCTDXYQYQKT-GHMZBOCLSA-N 2 2 246.376 0.247 10 0 BCAELP C[C@@H]1C[N@H+](C)CCN1C(=O)C1([NH3+])CCC1 ZINC000235446513 176265784 /nfs/dbraw/zinc/26/57/84/176265784.db2.gz UCZXMZOQNCMREZ-SECBINFHSA-N 2 2 211.309 0.030 10 0 BCAELP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1([NH3+])CCC1 ZINC000235446513 176265786 /nfs/dbraw/zinc/26/57/86/176265786.db2.gz UCZXMZOQNCMREZ-SECBINFHSA-N 2 2 211.309 0.030 10 0 BCAELP C[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCOCC1 ZINC000036304956 176336117 /nfs/dbraw/zinc/33/61/17/176336117.db2.gz ODMLEBFPYCXUDB-SNVBAGLBSA-N 2 2 214.309 0.215 10 0 BCAELP C[C@@H]1COCC[N@H+]1C1(C[NH3+])CCOCC1 ZINC000036304956 176336119 /nfs/dbraw/zinc/33/61/19/176336119.db2.gz ODMLEBFPYCXUDB-SNVBAGLBSA-N 2 2 214.309 0.215 10 0 BCAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCS(=O)(=O)CC1 ZINC000049711454 176370655 /nfs/dbraw/zinc/37/06/55/176370655.db2.gz AWEIOIXWDJUYEE-ZJUUUORDSA-N 2 2 246.376 0.375 10 0 BCAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCS(=O)(=O)CC1 ZINC000049711454 176370657 /nfs/dbraw/zinc/37/06/57/176370657.db2.gz AWEIOIXWDJUYEE-ZJUUUORDSA-N 2 2 246.376 0.375 10 0 BCAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000674882275 487635431 /nfs/dbraw/zinc/63/54/31/487635431.db2.gz GTXPCPOLDQLQOY-YNEHKIRRSA-N 2 2 241.379 0.247 10 0 BCAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000674882275 487635438 /nfs/dbraw/zinc/63/54/38/487635438.db2.gz GTXPCPOLDQLQOY-YNEHKIRRSA-N 2 2 241.379 0.247 10 0 BCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000674882275 487635444 /nfs/dbraw/zinc/63/54/44/487635444.db2.gz GTXPCPOLDQLQOY-YNEHKIRRSA-N 2 2 241.379 0.247 10 0 BCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000674882275 487635446 /nfs/dbraw/zinc/63/54/46/487635446.db2.gz GTXPCPOLDQLQOY-YNEHKIRRSA-N 2 2 241.379 0.247 10 0 BCAELP C[C@H]1CCCC[N@@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062440358 177076183 /nfs/dbraw/zinc/07/61/83/177076183.db2.gz VWMKCAFVIGBIOY-JQWIXIFHSA-N 2 2 239.363 0.857 10 0 BCAELP C[C@H]1CCCC[N@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062440358 177076185 /nfs/dbraw/zinc/07/61/85/177076185.db2.gz VWMKCAFVIGBIOY-JQWIXIFHSA-N 2 2 239.363 0.857 10 0 BCAELP C[C@H]1CCC[C@@H](C[NH3+])[N@@H+]1CC(=O)N1CCCC1 ZINC000104157018 177119607 /nfs/dbraw/zinc/11/96/07/177119607.db2.gz CIAFQSPMCFWWPW-RYUDHWBXSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@H]1CCC[C@@H](C[NH3+])[N@H+]1CC(=O)N1CCCC1 ZINC000104157018 177119608 /nfs/dbraw/zinc/11/96/08/177119608.db2.gz CIAFQSPMCFWWPW-RYUDHWBXSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@H]1CN(CCCn2cc[nH+]c2)CC[NH2+]1 ZINC000082925092 177251703 /nfs/dbraw/zinc/25/17/03/177251703.db2.gz MVIVRJPYORNLGD-NSHDSACASA-N 2 2 208.309 0.567 10 0 BCAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052476562 177260385 /nfs/dbraw/zinc/26/03/85/177260385.db2.gz JJZMRVYPUYJUGI-BDAKNGLRSA-N 2 2 225.292 0.743 10 0 BCAELP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052476562 177260387 /nfs/dbraw/zinc/26/03/87/177260387.db2.gz JJZMRVYPUYJUGI-BDAKNGLRSA-N 2 2 225.292 0.743 10 0 BCAELP C[C@H]1C[NH2+]CCC[N@H+](CCC[NH+](C)C)C1 ZINC000049666111 177281853 /nfs/dbraw/zinc/28/18/53/177281853.db2.gz WMLBNFZEHBRUQV-LBPRGKRZSA-N 3 2 213.369 0.870 10 0 BCAELP C[C@H]1C[NH2+]CCC[N@@H+](CCC[NH+](C)C)C1 ZINC000049666111 177281855 /nfs/dbraw/zinc/28/18/55/177281855.db2.gz WMLBNFZEHBRUQV-LBPRGKRZSA-N 3 2 213.369 0.870 10 0 BCAELP C[C@@H]1CN(CCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000082934734 177286881 /nfs/dbraw/zinc/28/68/81/177286881.db2.gz VZWIZFKMKQNEIV-NEPJUHHUSA-N 2 2 222.336 0.955 10 0 BCAELP C[C@H]1COCC[N@@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657980 177292880 /nfs/dbraw/zinc/29/28/80/177292880.db2.gz HAPIWWDNVWCXTM-VIFPVBQESA-N 2 2 234.303 0.586 10 0 BCAELP C[C@H]1COCC[N@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657980 177292881 /nfs/dbraw/zinc/29/28/81/177292881.db2.gz HAPIWWDNVWCXTM-VIFPVBQESA-N 2 2 234.303 0.586 10 0 BCAELP C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052475847 177293041 /nfs/dbraw/zinc/29/30/41/177293041.db2.gz BRNCFTXECFQFJW-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1COCC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052475847 177293042 /nfs/dbraw/zinc/29/30/42/177293042.db2.gz BRNCFTXECFQFJW-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000282522615 177393140 /nfs/dbraw/zinc/39/31/40/177393140.db2.gz YIQYPDKJLIPZJB-MNOVXSKESA-N 2 2 236.319 0.530 10 0 BCAELP C[C@H]1NC(=O)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309817386 177393914 /nfs/dbraw/zinc/39/39/14/177393914.db2.gz VNRRZQMKWIWNPD-NXEZZACHSA-N 2 2 222.292 0.140 10 0 BCAELP C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400435471 226343315 /nfs/dbraw/zinc/34/33/15/226343315.db2.gz LAXBCZKIEAMENT-TUAOUCFPSA-N 2 2 227.352 0.047 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462355 487822525 /nfs/dbraw/zinc/82/25/25/487822525.db2.gz VVBZLBZCMRHWTB-VHSXEESVSA-N 2 2 236.319 0.411 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000089462058 487824026 /nfs/dbraw/zinc/82/40/26/487824026.db2.gz YUWHRBHLJXGEFP-WDEREUQCSA-N 2 2 248.330 0.600 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000080530536 487910014 /nfs/dbraw/zinc/91/00/14/487910014.db2.gz OYHJZXBDKOTKSI-ZJUUUORDSA-N 2 2 236.319 0.886 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000080530648 487912212 /nfs/dbraw/zinc/91/22/12/487912212.db2.gz BFXSADNGBKNHGV-SNVBAGLBSA-N 2 2 236.319 0.758 10 0 BCAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157933514 487930357 /nfs/dbraw/zinc/93/03/57/487930357.db2.gz TVAPQMIQMAWTTD-ZJUUUORDSA-N 2 2 236.319 0.443 10 0 BCAELP C[NH+](C)C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189222425 324192677 /nfs/dbraw/zinc/19/26/77/324192677.db2.gz KFJWRHKJZFMKSM-QWHCGFSZSA-N 2 2 242.363 0.818 10 0 BCAELP C[NH+](C)C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CCO1 ZINC000189222425 324192680 /nfs/dbraw/zinc/19/26/80/324192680.db2.gz KFJWRHKJZFMKSM-QWHCGFSZSA-N 2 2 242.363 0.818 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000568765619 326376433 /nfs/dbraw/zinc/37/64/33/326376433.db2.gz OVKYZGRACXGRSR-UWVGGRQHSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000568765619 326376434 /nfs/dbraw/zinc/37/64/34/326376434.db2.gz OVKYZGRACXGRSR-UWVGGRQHSA-N 2 2 238.339 0.423 10 0 BCAELP CC[C@H]([NH3+])c1cn(Cc2[nH+]ccn2CC)nn1 ZINC000229934392 487999768 /nfs/dbraw/zinc/99/97/68/487999768.db2.gz BVTNMNBWCOJYPG-VIFPVBQESA-N 2 2 234.307 0.953 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC000128997379 488062962 /nfs/dbraw/zinc/06/29/62/488062962.db2.gz WUYWBFMJXFHQNF-SNVBAGLBSA-N 2 2 224.308 0.373 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000136317535 488095388 /nfs/dbraw/zinc/09/53/88/488095388.db2.gz ZCZWJKNBMIDLMR-GHMZBOCLSA-N 2 2 238.335 0.761 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000380542120 487478598 /nfs/dbraw/zinc/47/85/98/487478598.db2.gz HJTUWUGMOZLSDR-KOLCDFICSA-N 2 2 222.336 0.904 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000380542120 487478600 /nfs/dbraw/zinc/47/86/00/487478600.db2.gz HJTUWUGMOZLSDR-KOLCDFICSA-N 2 2 222.336 0.904 10 0 BCAELP Nc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000237859117 487521562 /nfs/dbraw/zinc/52/15/62/487521562.db2.gz UBMIWIJTHUDPLD-SSDOTTSWSA-N 2 2 206.249 0.212 10 0 BCAELP Cc1nc(NCCOCCC[NH3+])cc[nH+]1 ZINC000630537239 490102608 /nfs/dbraw/zinc/10/26/08/490102608.db2.gz LKSKDGZLMNZAEJ-UHFFFAOYSA-N 2 2 210.281 0.562 10 0 BCAELP Cc1nc(NC[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000235972578 490185236 /nfs/dbraw/zinc/18/52/36/490185236.db2.gz QMXOEKWWJMPKQW-VIFPVBQESA-N 2 2 208.265 0.185 10 0 BCAELP COc1ccc[nH+]c1NC[C@H]1C[NH2+]CCCO1 ZINC000389894341 490273705 /nfs/dbraw/zinc/27/37/05/490273705.db2.gz LKYHYBJGVJRHTR-SNVBAGLBSA-N 2 2 237.303 0.881 10 0 BCAELP CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000226071339 534627656 /nfs/dbraw/zinc/62/76/56/534627656.db2.gz DQEUWUHMLBXVJI-NXEZZACHSA-N 2 2 200.326 0.735 10 0 BCAELP C[NH+]1CCC(C(N)=O)([NH+]2CCCCCC2)CC1 ZINC000095532487 523750849 /nfs/dbraw/zinc/75/08/49/523750849.db2.gz GUSAHIIIJMKHNN-UHFFFAOYSA-N 2 2 239.363 0.812 10 0 BCAELP COCCNc1cc(N2CC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000057330555 523962891 /nfs/dbraw/zinc/96/28/91/523962891.db2.gz XZMPGUWEMYXVQX-SECBINFHSA-N 2 2 237.307 0.072 10 0 BCAELP CC[NH2+][C@](C)(Cn1cc[nH+]c1)C(=O)OC ZINC000045432199 582878399 /nfs/dbraw/zinc/87/83/99/582878399.db2.gz RJJWQVRWHURALC-SNVBAGLBSA-N 2 2 211.265 0.424 10 0 BCAELP CCOC(=O)[C@](C)([NH3+])CCn1cc[nH+]c1 ZINC000045432303 582879070 /nfs/dbraw/zinc/87/90/70/582879070.db2.gz FRHMHZWXHKORGT-SNVBAGLBSA-N 2 2 211.265 0.554 10 0 BCAELP CC[NH2+][C@H](Cn1cc[nH+]c1C)C(=O)OC ZINC000045432818 582879518 /nfs/dbraw/zinc/87/95/18/582879518.db2.gz SANMCFTWNZGASM-SECBINFHSA-N 2 2 211.265 0.343 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)OC ZINC000169281871 536458206 /nfs/dbraw/zinc/45/82/06/536458206.db2.gz VYWUSWLIXUAKJW-VIFPVBQESA-N 2 2 200.282 0.233 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)OC ZINC000169281871 536458207 /nfs/dbraw/zinc/45/82/07/536458207.db2.gz VYWUSWLIXUAKJW-VIFPVBQESA-N 2 2 200.282 0.233 10 0 BCAELP [NH3+]Cc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC000095532836 527266239 /nfs/dbraw/zinc/26/62/39/527266239.db2.gz ARWPTIKQUXZOGF-VIFPVBQESA-N 2 2 204.233 0.576 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562871 534968146 /nfs/dbraw/zinc/96/81/46/534968146.db2.gz WPTVSPQYWYKHHF-VXGBXAGGSA-N 2 2 239.363 0.537 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261562871 534968152 /nfs/dbraw/zinc/96/81/52/534968152.db2.gz WPTVSPQYWYKHHF-VXGBXAGGSA-N 2 2 239.363 0.537 10 0 BCAELP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261588233 535629099 /nfs/dbraw/zinc/62/90/99/535629099.db2.gz SEVVUFCNTLAJFR-GARJFASQSA-N 2 2 246.376 0.090 10 0 BCAELP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261588233 535629102 /nfs/dbraw/zinc/62/91/02/535629102.db2.gz SEVVUFCNTLAJFR-GARJFASQSA-N 2 2 246.376 0.090 10 0 BCAELP CCc1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000057328696 536154139 /nfs/dbraw/zinc/15/41/39/536154139.db2.gz IWFPZPBOQZSETD-UHFFFAOYSA-N 2 2 232.331 0.937 10 0 BCAELP C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000053205015 536365533 /nfs/dbraw/zinc/36/55/33/536365533.db2.gz AYDDBSRFALKRMC-SNVBAGLBSA-N 2 2 206.293 0.973 10 0 BCAELP C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000225433753 536416817 /nfs/dbraw/zinc/41/68/17/536416817.db2.gz LEQGRHSZRUNCSQ-RKDXNWHRSA-N 2 2 240.269 0.793 10 0 BCAELP C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000225433753 536416820 /nfs/dbraw/zinc/41/68/20/536416820.db2.gz LEQGRHSZRUNCSQ-RKDXNWHRSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@@H](O)C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000225433753 536416821 /nfs/dbraw/zinc/41/68/21/536416821.db2.gz LEQGRHSZRUNCSQ-RKDXNWHRSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@@H](O)C(F)(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000225433753 536416824 /nfs/dbraw/zinc/41/68/24/536416824.db2.gz LEQGRHSZRUNCSQ-RKDXNWHRSA-N 2 2 240.269 0.793 10 0 BCAELP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261958373 536424057 /nfs/dbraw/zinc/42/40/57/536424057.db2.gz GWPRCAQZEDKQEE-MFKMUULPSA-N 2 2 247.342 0.825 10 0 BCAELP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261958373 536424059 /nfs/dbraw/zinc/42/40/59/536424059.db2.gz GWPRCAQZEDKQEE-MFKMUULPSA-N 2 2 247.342 0.825 10 0 BCAELP CS(=O)(=O)CC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757123745 582498370 /nfs/dbraw/zinc/49/83/70/582498370.db2.gz ANEDQMBTZYEPGR-UHFFFAOYSA-N 2 2 246.376 0.249 10 0 BCAELP CS(=O)(=O)CC[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757123745 582498373 /nfs/dbraw/zinc/49/83/73/582498373.db2.gz ANEDQMBTZYEPGR-UHFFFAOYSA-N 2 2 246.376 0.249 10 0 BCAELP COCCCOCC[N@@H+]1CC[C@H]1C[NH3+] ZINC000757155894 582539534 /nfs/dbraw/zinc/53/95/34/582539534.db2.gz IWHFDMITFKPDPZ-JTQLQIEISA-N 2 2 202.298 0.073 10 0 BCAELP COCCCOCC[N@H+]1CC[C@H]1C[NH3+] ZINC000757155894 582539536 /nfs/dbraw/zinc/53/95/36/582539536.db2.gz IWHFDMITFKPDPZ-JTQLQIEISA-N 2 2 202.298 0.073 10 0 BCAELP C[C@@]([NH3+])(CCCCn1cc[nH+]c1)C(N)=O ZINC000045431673 582877945 /nfs/dbraw/zinc/87/79/45/582877945.db2.gz ZQNFVVQGXKABKJ-SNVBAGLBSA-N 2 2 210.281 0.256 10 0 BCAELP CC[C@H](C)Cn1c[nH+]c(C[C@H]([NH3+])CO)c1 ZINC000757193256 586436473 /nfs/dbraw/zinc/43/64/73/586436473.db2.gz ZSDFTVCIYICNOQ-UWVGGRQHSA-N 2 2 211.309 0.791 10 0 BCAELP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(C=O)s1 ZINC000757212907 586439309 /nfs/dbraw/zinc/43/93/09/586439309.db2.gz KCWKCLOWBKZSNE-DTWKUNHWSA-N 2 2 210.302 0.965 10 0 BCAELP [NH3+][C@H]1C[NH2+]CC[C@H]1c1ccc(C=O)s1 ZINC000757212905 586439664 /nfs/dbraw/zinc/43/96/64/586439664.db2.gz KCWKCLOWBKZSNE-BDAKNGLRSA-N 2 2 210.302 0.965 10 0 BCAELP CCn1cc([C@@H]2[NH2+]CC[C@H](C)[C@H]2[NH3+])cn1 ZINC000757235588 586443353 /nfs/dbraw/zinc/44/33/53/586443353.db2.gz LUUCPBPGILXBEW-GDPRMGEGSA-N 2 2 208.309 0.901 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000250592870 635700291 /nfs/dbraw/zinc/70/02/91/635700291.db2.gz VLLTVPLBAPBCFU-NWDGAFQWSA-N 2 2 230.352 0.586 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000250592870 635700293 /nfs/dbraw/zinc/70/02/93/635700293.db2.gz VLLTVPLBAPBCFU-NWDGAFQWSA-N 2 2 230.352 0.586 10 0 BCAELP CN(C)c1cc(NC[C@@H]2CCC[NH2+]2)nc[nH+]1 ZINC000258558441 635170191 /nfs/dbraw/zinc/17/01/91/635170191.db2.gz BJGLVNUPRMSMKO-VIFPVBQESA-N 2 2 221.308 0.707 10 0 BCAELP CC(C)[NH2+][C@](C)(CCn1cc[nH+]c1)C(N)=O ZINC000045432381 640557779 /nfs/dbraw/zinc/55/77/79/640557779.db2.gz PZSLEJLCPICHAG-LLVKDONJSA-N 2 2 224.308 0.515 10 0 BCAELP CNc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000227249992 640821888 /nfs/dbraw/zinc/82/18/88/640821888.db2.gz DBNWYGUXIHWKDJ-NXEZZACHSA-N 2 2 235.335 0.905 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000227911398 640853150 /nfs/dbraw/zinc/85/31/50/640853150.db2.gz CZFWVFMELUGSJO-QWRGUYRKSA-N 2 2 216.325 0.197 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])C1 ZINC000227911398 640853156 /nfs/dbraw/zinc/85/31/56/640853156.db2.gz CZFWVFMELUGSJO-QWRGUYRKSA-N 2 2 216.325 0.197 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000227911798 640854269 /nfs/dbraw/zinc/85/42/69/640854269.db2.gz ATTAQLKTOBMBPU-UTUOFQBUSA-N 2 2 230.352 0.443 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000227911798 640854270 /nfs/dbraw/zinc/85/42/70/640854270.db2.gz ATTAQLKTOBMBPU-UTUOFQBUSA-N 2 2 230.352 0.443 10 0 BCAELP CC[NH2+][C@H](CCn1cc[nH+]c1C)C(=O)OC ZINC000062535039 641057930 /nfs/dbraw/zinc/05/79/30/641057930.db2.gz JYWWOVQEKSKOCX-SNVBAGLBSA-N 2 2 225.292 0.733 10 0 BCAELP C[N@H+](CC(=O)NCC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000231669959 641191336 /nfs/dbraw/zinc/19/13/36/641191336.db2.gz SGXYVRCIILMEIN-LBPRGKRZSA-N 2 2 239.363 0.587 10 0 BCAELP C[N@@H+](CC(=O)NCC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000231669959 641191343 /nfs/dbraw/zinc/19/13/43/641191343.db2.gz SGXYVRCIILMEIN-LBPRGKRZSA-N 2 2 239.363 0.587 10 0 BCAELP CCOC(=O)[C@@]1([NH3+])CC[C@H](n2cc[nH+]c2)C1 ZINC000086626613 643636379 /nfs/dbraw/zinc/63/63/79/643636379.db2.gz QWSPGTLLRSYGDJ-GXSJLCMTSA-N 2 2 223.276 0.869 10 0 BCAELP CC[NH2+][C@@]1(C(N)=O)CC[C@H](n2cc[nH+]c2)C1 ZINC000086626565 644156140 /nfs/dbraw/zinc/15/61/40/644156140.db2.gz YRAYZJDGHIFMQB-ONGXEEELSA-N 2 2 222.292 0.442 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000379775644 712398799 /nfs/dbraw/zinc/39/87/99/712398799.db2.gz CTUBVEGKVSCYTR-MNOVXSKESA-N 2 2 218.341 0.443 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000379775644 712398800 /nfs/dbraw/zinc/39/88/00/712398800.db2.gz CTUBVEGKVSCYTR-MNOVXSKESA-N 2 2 218.341 0.443 10 0 BCAELP COCC1CC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000713962545 712475220 /nfs/dbraw/zinc/47/52/20/712475220.db2.gz YSIPAXXAVMQKBK-XVSSEFHLSA-N 2 2 242.363 0.768 10 0 BCAELP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583969 712854833 /nfs/dbraw/zinc/85/48/33/712854833.db2.gz NVOQIBXMISMZCO-VHSXEESVSA-N 2 2 223.324 0.608 10 0 BCAELP C[C@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460959 712901113 /nfs/dbraw/zinc/90/11/13/712901113.db2.gz FIYFENZWHOXDAB-NWDGAFQWSA-N 2 2 244.404 0.880 10 0 BCAELP C[C@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460959 712901114 /nfs/dbraw/zinc/90/11/14/712901114.db2.gz FIYFENZWHOXDAB-NWDGAFQWSA-N 2 2 244.404 0.880 10 0 BCAELP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)CS(C)(=O)=O ZINC000723882965 711543533 /nfs/dbraw/zinc/54/35/33/711543533.db2.gz NPBOPLNMSXWRTG-SECBINFHSA-N 2 2 234.365 0.009 10 0 BCAELP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000722311413 711734277 /nfs/dbraw/zinc/73/42/77/711734277.db2.gz DAMZCVYKMYBAJU-TUAOUCFPSA-N 2 2 210.321 0.896 10 0 BCAELP CN(C)c1cc(N2CCC[C@@H]2C[NH3+])nc[nH+]1 ZINC000258738376 711741397 /nfs/dbraw/zinc/74/13/97/711741397.db2.gz NONGAIOTVBAYEF-SECBINFHSA-N 2 2 221.308 0.470 10 0 BCAELP COCCOCCOCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000132565260 711970346 /nfs/dbraw/zinc/97/03/46/711970346.db2.gz ANHRUHVMGOLTHS-LBPRGKRZSA-N 2 2 246.351 0.089 10 0 BCAELP COCCOCCOCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000132565260 711970348 /nfs/dbraw/zinc/97/03/48/711970348.db2.gz ANHRUHVMGOLTHS-LBPRGKRZSA-N 2 2 246.351 0.089 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702653141 712058434 /nfs/dbraw/zinc/05/84/34/712058434.db2.gz GGYORGGTIVBHBO-GARJFASQSA-N 2 2 216.325 0.194 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702653141 712058435 /nfs/dbraw/zinc/05/84/35/712058435.db2.gz GGYORGGTIVBHBO-GARJFASQSA-N 2 2 216.325 0.194 10 0 BCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708893513 712202518 /nfs/dbraw/zinc/20/25/18/712202518.db2.gz KTZSVTJACMBEEV-QWRGUYRKSA-N 2 2 248.392 0.338 10 0 BCAELP CCCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708893513 712202520 /nfs/dbraw/zinc/20/25/20/712202520.db2.gz KTZSVTJACMBEEV-QWRGUYRKSA-N 2 2 248.392 0.338 10 0 BCAELP CO[C@H]1C[N@H+](CCOC2CC2)[C@](C)(C[NH3+])C1 ZINC000711776066 712327904 /nfs/dbraw/zinc/32/79/04/712327904.db2.gz DWVQFGCQMAYFFC-NEPJUHHUSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@H]1C[N@@H+](CCOC2CC2)[C@](C)(C[NH3+])C1 ZINC000711776066 712327905 /nfs/dbraw/zinc/32/79/05/712327905.db2.gz DWVQFGCQMAYFFC-NEPJUHHUSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582747 712854714 /nfs/dbraw/zinc/85/47/14/712854714.db2.gz IXBVSSJTGXGBCG-ZJUUUORDSA-N 2 2 223.324 0.465 10 0 BCAELP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685953150 538897574 /nfs/dbraw/zinc/89/75/74/538897574.db2.gz GLPZPPDAXZXHBC-NSHDSACASA-N 3 2 211.353 0.892 10 0 BCAELP CC(C)[N@H+]1CC[C@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685953150 538897575 /nfs/dbraw/zinc/89/75/75/538897575.db2.gz GLPZPPDAXZXHBC-NSHDSACASA-N 3 2 211.353 0.892 10 0 BCAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCSC[C@H](C)C1 ZINC000307361806 398138419 /nfs/dbraw/zinc/13/84/19/398138419.db2.gz HZXCLSCTFSWIEO-HTQZYQBOSA-N 2 2 201.339 0.996 10 0 BCAELP C[C@H](C(N)=[NH2+])[N@H+]1CCSC[C@H](C)C1 ZINC000307361806 398138420 /nfs/dbraw/zinc/13/84/20/398138420.db2.gz HZXCLSCTFSWIEO-HTQZYQBOSA-N 2 2 201.339 0.996 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc(C)[nH+]1 ZINC000153142300 178122484 /nfs/dbraw/zinc/12/24/84/178122484.db2.gz OZRYXALLWWNCOI-VXGBXAGGSA-N 2 2 248.330 0.613 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc(C)[nH+]1 ZINC000153142300 178122488 /nfs/dbraw/zinc/12/24/88/178122488.db2.gz OZRYXALLWWNCOI-VXGBXAGGSA-N 2 2 248.330 0.613 10 0 BCAELP COC(=O)CC[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000234537215 342930114 /nfs/dbraw/zinc/93/01/14/342930114.db2.gz WCCFVADIXVIMKB-SECBINFHSA-N 2 2 200.282 0.281 10 0 BCAELP CN(C)c1cc[nH+]c(N(C)Cc2[nH+]ccn2C)n1 ZINC000301934897 187206738 /nfs/dbraw/zinc/20/67/38/187206738.db2.gz QPUIIMHDQWCUFT-UHFFFAOYSA-N 2 2 246.318 0.913 10 0 BCAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000092956772 343150127 /nfs/dbraw/zinc/15/01/27/343150127.db2.gz SGZFLHSCLCENTB-UWVGGRQHSA-N 2 2 234.303 0.223 10 0 BCAELP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000092956771 343150152 /nfs/dbraw/zinc/15/01/52/343150152.db2.gz SGZFLHSCLCENTB-ZJUUUORDSA-N 2 2 234.303 0.223 10 0 BCAELP COc1c(N)[nH+]cnc1N1CC[C@H]([NH+](C)C)C1 ZINC000134885815 343191623 /nfs/dbraw/zinc/19/16/23/343191623.db2.gz LQMQRQYHMAVPCM-QMMMGPOBSA-N 2 2 237.307 0.208 10 0 BCAELP COc1c(N)[nH+]cnc1N1CC[C@@H]([NH+](C)C)C1 ZINC000134885798 343192037 /nfs/dbraw/zinc/19/20/37/343192037.db2.gz LQMQRQYHMAVPCM-MRVPVSSYSA-N 2 2 237.307 0.208 10 0 BCAELP COC[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000088004358 136283959 /nfs/dbraw/zinc/28/39/59/136283959.db2.gz XVBXRCDYOVQHHL-QMMMGPOBSA-N 2 2 209.249 0.302 10 0 BCAELP C1C[C@H]2[C@@H]([NH2+][C@@H]3CN4CCC3CC4)CC[N@@H+]2C1 ZINC000037169106 187251281 /nfs/dbraw/zinc/25/12/81/187251281.db2.gz OXZYWGOQEYKTCG-MJBXVCDLSA-N 2 2 235.375 0.907 10 0 BCAELP C1C[C@H]2[C@@H]([NH2+][C@@H]3CN4CCC3CC4)CC[N@H+]2C1 ZINC000037169106 187251283 /nfs/dbraw/zinc/25/12/83/187251283.db2.gz OXZYWGOQEYKTCG-MJBXVCDLSA-N 2 2 235.375 0.907 10 0 BCAELP C[C@@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069718041 343290147 /nfs/dbraw/zinc/29/01/47/343290147.db2.gz RAMNUJUPQFTTTN-SCZZXKLOSA-N 2 2 208.309 0.984 10 0 BCAELP C([C@@H]1CCOCO1)[N@@H+]1CCC[NH2+]CC1 ZINC000036964326 187259473 /nfs/dbraw/zinc/25/94/73/187259473.db2.gz QVZMNMKCUKUMOW-JTQLQIEISA-N 2 2 200.282 0.045 10 0 BCAELP C([C@@H]1CCOCO1)[N@H+]1CCC[NH2+]CC1 ZINC000036964326 187259475 /nfs/dbraw/zinc/25/94/75/187259475.db2.gz QVZMNMKCUKUMOW-JTQLQIEISA-N 2 2 200.282 0.045 10 0 BCAELP CC(C)[C@@](C)(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000037943769 187261590 /nfs/dbraw/zinc/26/15/90/187261590.db2.gz ASZBBHCXLZRJOK-NSHDSACASA-N 2 2 213.325 0.182 10 0 BCAELP CC(C)[C@@](C)(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000037943769 187261592 /nfs/dbraw/zinc/26/15/92/187261592.db2.gz ASZBBHCXLZRJOK-NSHDSACASA-N 2 2 213.325 0.182 10 0 BCAELP CC(C)(C)[C@@H]([NH3+])C(=O)NCCc1c[nH+]c[nH]1 ZINC000083353545 187284404 /nfs/dbraw/zinc/28/44/04/187284404.db2.gz IUQJDTJWEAGYJG-VIFPVBQESA-N 2 2 224.308 0.442 10 0 BCAELP CC(C)(C)[C@@H]([NH3+])C(=O)NCCc1c[nH]c[nH+]1 ZINC000083353545 187284407 /nfs/dbraw/zinc/28/44/07/187284407.db2.gz IUQJDTJWEAGYJG-VIFPVBQESA-N 2 2 224.308 0.442 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600885768 344388201 /nfs/dbraw/zinc/38/82/01/344388201.db2.gz NSPBHIRYOFVTTM-CMPLNLGQSA-N 2 2 244.335 0.378 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600885768 344388202 /nfs/dbraw/zinc/38/82/02/344388202.db2.gz NSPBHIRYOFVTTM-CMPLNLGQSA-N 2 2 244.335 0.378 10 0 BCAELP CC(C)[N@H+](CC(N)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042438631 187291368 /nfs/dbraw/zinc/29/13/68/187291368.db2.gz BFLGGLNUPYRLJP-UWVGGRQHSA-N 2 2 213.325 0.452 10 0 BCAELP CC(C)[N@@H+](CC(N)=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042438631 187291370 /nfs/dbraw/zinc/29/13/70/187291370.db2.gz BFLGGLNUPYRLJP-UWVGGRQHSA-N 2 2 213.325 0.452 10 0 BCAELP C[C@H]1C[N@@H+]([C@@]2(C[NH3+])CCOC2)CCS1 ZINC000220947598 344645628 /nfs/dbraw/zinc/64/56/28/344645628.db2.gz JYLSGWPNJQYMOC-VHSXEESVSA-N 2 2 216.350 0.542 10 0 BCAELP C[C@H]1C[N@H+]([C@@]2(C[NH3+])CCOC2)CCS1 ZINC000220947598 344645630 /nfs/dbraw/zinc/64/56/30/344645630.db2.gz JYLSGWPNJQYMOC-VHSXEESVSA-N 2 2 216.350 0.542 10 0 BCAELP CCOC(=O)[C@H]([NH3+])Cn1cc(C)[nH+]c1C ZINC000715070808 537859285 /nfs/dbraw/zinc/85/92/85/537859285.db2.gz OEIMKHTXYWFWGL-SECBINFHSA-N 2 2 211.265 0.390 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC000156198590 345134605 /nfs/dbraw/zinc/13/46/05/345134605.db2.gz QLWSMQFVIVBHBR-GMTAPVOTSA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CC[N@H+]1C ZINC000156198590 345134606 /nfs/dbraw/zinc/13/46/06/345134606.db2.gz QLWSMQFVIVBHBR-GMTAPVOTSA-N 2 2 225.336 0.337 10 0 BCAELP CCCn1nccc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077705 537896486 /nfs/dbraw/zinc/89/64/86/537896486.db2.gz HMEITYRBEUWHKR-SNVBAGLBSA-N 2 2 206.293 0.607 10 0 BCAELP C[C@H]1CN(CC(F)(F)C[NH3+])CC[N@@H+]1C ZINC000306282359 537913051 /nfs/dbraw/zinc/91/30/51/537913051.db2.gz ACZCBFQOQSKVQP-QMMMGPOBSA-N 2 2 207.268 0.216 10 0 BCAELP C[C@H]1CN(CC(F)(F)C[NH3+])CC[N@H+]1C ZINC000306282359 537913059 /nfs/dbraw/zinc/91/30/59/537913059.db2.gz ACZCBFQOQSKVQP-QMMMGPOBSA-N 2 2 207.268 0.216 10 0 BCAELP [NH3+][C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000034217048 346226103 /nfs/dbraw/zinc/22/61/03/346226103.db2.gz AAJPISLWSKALAE-GFCCVEGCSA-N 2 2 206.289 0.846 10 0 BCAELP [NH3+][C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000034217048 346226104 /nfs/dbraw/zinc/22/61/04/346226104.db2.gz AAJPISLWSKALAE-GFCCVEGCSA-N 2 2 206.289 0.846 10 0 BCAELP CC(C)C[C@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000236672971 346287156 /nfs/dbraw/zinc/28/71/56/346287156.db2.gz GWOKGBXXHLHTAW-ZETCQYMHSA-N 2 2 215.322 0.579 10 0 BCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363964186 187319764 /nfs/dbraw/zinc/31/97/64/187319764.db2.gz OGWWIKDQYBVXRM-CYBMUJFWSA-N 2 2 241.379 0.343 10 0 BCAELP Nc1[nH+]cccc1CC(=O)[C@H]1CCC[NH2+]1 ZINC000167664993 346455792 /nfs/dbraw/zinc/45/57/92/346455792.db2.gz FEEXUNSZIREKCW-SECBINFHSA-N 2 2 205.261 0.527 10 0 BCAELP [NH3+]C[C@H]([C@@H]1CCCO1)[NH+]1CCSCC1 ZINC000148888991 346474895 /nfs/dbraw/zinc/47/48/95/346474895.db2.gz JNWLXIICVOIIFJ-ZJUUUORDSA-N 2 2 216.350 0.542 10 0 BCAELP [NH3+]C[C@@H]([C@H]1CCCO1)[NH+]1CCSCC1 ZINC000148889178 346475409 /nfs/dbraw/zinc/47/54/09/346475409.db2.gz JNWLXIICVOIIFJ-VHSXEESVSA-N 2 2 216.350 0.542 10 0 BCAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)CCO ZINC000020225424 179342187 /nfs/dbraw/zinc/34/21/87/179342187.db2.gz AGFUZIVXNQKNHS-LBPRGKRZSA-N 2 2 208.305 0.919 10 0 BCAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)CCO ZINC000020225424 179342191 /nfs/dbraw/zinc/34/21/91/179342191.db2.gz AGFUZIVXNQKNHS-LBPRGKRZSA-N 2 2 208.305 0.919 10 0 BCAELP O[C@@]1(C[NH2+]C2CC2)CC[NH2+]CC1(F)F ZINC000669381975 537999536 /nfs/dbraw/zinc/99/95/36/537999536.db2.gz CIYNOAWNVDABIC-MRVPVSSYSA-N 2 2 206.236 0.098 10 0 BCAELP C[C@H]1C[NH2+]C[C@]12C[N@@H+](C1CC1)CCC2=O ZINC000725246613 538009471 /nfs/dbraw/zinc/00/94/71/538009471.db2.gz ZNZGFKHRWOZGIY-CABZTGNLSA-N 2 2 208.305 0.649 10 0 BCAELP C[C@H]1C[NH2+]C[C@]12C[N@H+](C1CC1)CCC2=O ZINC000725246613 538009480 /nfs/dbraw/zinc/00/94/80/538009480.db2.gz ZNZGFKHRWOZGIY-CABZTGNLSA-N 2 2 208.305 0.649 10 0 BCAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000308861838 348909242 /nfs/dbraw/zinc/90/92/42/348909242.db2.gz PNLVVQCXAQJSTO-WDEREUQCSA-N 2 2 232.393 0.736 10 0 BCAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000308861838 348909245 /nfs/dbraw/zinc/90/92/45/348909245.db2.gz PNLVVQCXAQJSTO-WDEREUQCSA-N 2 2 232.393 0.736 10 0 BCAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000308861838 348909246 /nfs/dbraw/zinc/90/92/46/348909246.db2.gz PNLVVQCXAQJSTO-WDEREUQCSA-N 2 2 232.393 0.736 10 0 BCAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@@H](C)C1 ZINC000308861838 348909250 /nfs/dbraw/zinc/90/92/50/348909250.db2.gz PNLVVQCXAQJSTO-WDEREUQCSA-N 2 2 232.393 0.736 10 0 BCAELP Cc1cc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc(N)[nH+]1 ZINC000669385067 538020198 /nfs/dbraw/zinc/02/01/98/538020198.db2.gz WHMRVVYPAUIWCY-UWVGGRQHSA-N 3 2 206.293 0.376 10 0 BCAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1CCO ZINC000616586557 349398337 /nfs/dbraw/zinc/39/83/37/349398337.db2.gz UBDQXQVEIPHGRS-CYBMUJFWSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1CCO ZINC000616586557 349398340 /nfs/dbraw/zinc/39/83/40/349398340.db2.gz UBDQXQVEIPHGRS-CYBMUJFWSA-N 2 2 220.316 0.927 10 0 BCAELP CCCN1C(=O)CC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C ZINC000090166878 191001321 /nfs/dbraw/zinc/00/13/21/191001321.db2.gz KYQPKRFMRALAID-CABZTGNLSA-N 2 2 236.319 0.821 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335662347 180118823 /nfs/dbraw/zinc/11/88/23/180118823.db2.gz JUCVQYVMEVVZPT-WPRPVWTQSA-N 2 2 236.319 0.722 10 0 BCAELP Cc1nccc(-n2cc[nH+]c2CC[NH3+])n1 ZINC000054937502 180179218 /nfs/dbraw/zinc/17/92/18/180179218.db2.gz WTBBJMAVSXPTTR-UHFFFAOYSA-N 2 2 203.249 0.472 10 0 BCAELP Cc1nccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)n1 ZINC000045007768 180184019 /nfs/dbraw/zinc/18/40/19/180184019.db2.gz LEFKEBISIKZPIU-JTQLQIEISA-N 2 2 220.320 0.826 10 0 BCAELP Cc1nccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)n1 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ZINC000616626995 351107015 /nfs/dbraw/zinc/10/70/15/351107015.db2.gz AQTJVEHCQGKGCD-JTQLQIEISA-N 3 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616626995 351107017 /nfs/dbraw/zinc/10/70/17/351107017.db2.gz AQTJVEHCQGKGCD-JTQLQIEISA-N 3 2 208.309 0.938 10 0 BCAELP Nc1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000616621694 351083907 /nfs/dbraw/zinc/08/39/07/351083907.db2.gz VXHPUQDERQHUAS-SNVBAGLBSA-N 2 2 220.320 0.802 10 0 BCAELP Nc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000616621694 351083911 /nfs/dbraw/zinc/08/39/11/351083911.db2.gz VXHPUQDERQHUAS-SNVBAGLBSA-N 2 2 220.320 0.802 10 0 BCAELP [NH3+]CCN1CCOCC[C@H]1c1[nH]cc[nH+]1 ZINC000616656787 351197453 /nfs/dbraw/zinc/19/74/53/351197453.db2.gz NYYFWSBQSNNULT-VIFPVBQESA-N 2 2 210.281 0.132 10 0 BCAELP Nc1ccc([C@H]2COCC[N@H+](CC[NH3+])C2)cc1 ZINC000616663127 351214928 /nfs/dbraw/zinc/21/49/28/351214928.db2.gz JFDCYLZOFRRGHM-GFCCVEGCSA-N 2 2 235.331 0.643 10 0 BCAELP 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CCc1noc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841845 372638341 /nfs/dbraw/zinc/63/83/41/372638341.db2.gz QRCJNDVIRHAVSK-IUCAKERBSA-N 2 2 224.308 0.659 10 0 BCAELP CCc1noc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841844 372638740 /nfs/dbraw/zinc/63/87/40/372638740.db2.gz QRCJNDVIRHAVSK-DTWKUNHWSA-N 2 2 224.308 0.659 10 0 BCAELP CCc1noc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841844 372638746 /nfs/dbraw/zinc/63/87/46/372638746.db2.gz QRCJNDVIRHAVSK-DTWKUNHWSA-N 2 2 224.308 0.659 10 0 BCAELP O=C(C[C@@H]1CCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254612 182017851 /nfs/dbraw/zinc/01/78/51/182017851.db2.gz SCPGVAOHPZJIBZ-JTQLQIEISA-N 2 2 234.303 0.367 10 0 BCAELP OCCOCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC1 ZINC000104418656 183082441 /nfs/dbraw/zinc/08/24/41/183082441.db2.gz WMADBZWYXZEXHC-ZDUSSCGKSA-N 2 2 242.363 0.602 10 0 BCAELP OCCOCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC1 ZINC000104418656 183082446 /nfs/dbraw/zinc/08/24/46/183082446.db2.gz WMADBZWYXZEXHC-ZDUSSCGKSA-N 2 2 242.363 0.602 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BCAELP CSc1nccnc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000095071908 384341635 /nfs/dbraw/zinc/34/16/35/384341635.db2.gz HUSIDOXBOFNLDE-VIFPVBQESA-N 2 2 238.360 0.979 10 0 BCAELP O=C(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc[nH]1 ZINC000095072791 384345265 /nfs/dbraw/zinc/34/52/65/384345265.db2.gz ORAYMGRLXDYYLH-SNVBAGLBSA-N 2 2 221.304 0.787 10 0 BCAELP CCC[C@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000135883546 384468620 /nfs/dbraw/zinc/46/86/20/384468620.db2.gz LXJDSDAYZAHDOT-LLVKDONJSA-N 2 2 238.335 0.730 10 0 BCAELP CCC[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109216 384661530 /nfs/dbraw/zinc/66/15/30/384661530.db2.gz PWMNPWWGDFGSNM-LLVKDONJSA-N 2 2 238.335 0.907 10 0 BCAELP CCC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109215 384661851 /nfs/dbraw/zinc/66/18/51/384661851.db2.gz PWMNPWWGDFGSNM-NSHDSACASA-N 2 2 238.335 0.907 10 0 BCAELP C[NH+](C)Cc1nnc([C@@H]2CCCC[NH2+]2)o1 ZINC000083346303 384763217 /nfs/dbraw/zinc/76/32/17/384763217.db2.gz ZUFPGMHAVBBURQ-QMMMGPOBSA-N 2 2 210.281 0.946 10 0 BCAELP [NH3+][C@H]1CCC[C@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000157257618 385117979 /nfs/dbraw/zinc/11/79/79/385117979.db2.gz IPJMPPZDAIRLNT-UWVGGRQHSA-N 2 2 236.319 0.586 10 0 BCAELP O=C1CC[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000227235419 385106373 /nfs/dbraw/zinc/10/63/73/385106373.db2.gz SAGZMRAWSUIKFV-NEPJUHHUSA-N 2 2 237.347 0.293 10 0 BCAELP O=C1CC[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCN12 ZINC000227235419 385106382 /nfs/dbraw/zinc/10/63/82/385106382.db2.gz SAGZMRAWSUIKFV-NEPJUHHUSA-N 2 2 237.347 0.293 10 0 BCAELP C[C@H]1C[C@]([NH2+]C2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156468128 385452897 /nfs/dbraw/zinc/45/28/97/385452897.db2.gz SCLZUSFMPOAEMW-KWQFWETISA-N 2 2 211.309 0.077 10 0 BCAELP C[C@H]1C[C@]([NH2+]C2CC2)(C(N)=O)CC[N@H+]1C ZINC000156468128 385452898 /nfs/dbraw/zinc/45/28/98/385452898.db2.gz SCLZUSFMPOAEMW-KWQFWETISA-N 2 2 211.309 0.077 10 0 BCAELP CCC[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000179267416 385455924 /nfs/dbraw/zinc/45/59/24/385455924.db2.gz UJAQNDMIBNEVQH-JTQLQIEISA-N 2 2 238.335 0.799 10 0 BCAELP [NH3+][C@@H]1CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000217979502 385894357 /nfs/dbraw/zinc/89/43/57/385894357.db2.gz BDAQYMXTRHAICD-VXGBXAGGSA-N 2 2 228.336 0.953 10 0 BCAELP [NH3+][C@@H]1CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000217979502 385894360 /nfs/dbraw/zinc/89/43/60/385894360.db2.gz BDAQYMXTRHAICD-VXGBXAGGSA-N 2 2 228.336 0.953 10 0 BCAELP CCn1cc[nH+]c1Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000310093928 386096505 /nfs/dbraw/zinc/09/65/05/386096505.db2.gz KPBVFJGETWYEFM-SECBINFHSA-N 2 2 234.307 0.823 10 0 BCAELP c1cn2c(ccnc2N2CC[NH2+]CC2)[nH+]1 ZINC000238008153 386429777 /nfs/dbraw/zinc/42/97/77/386429777.db2.gz ALWGFOAIDOLTPT-UHFFFAOYSA-N 2 2 203.249 0.139 10 0 BCAELP C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000062861534 386529739 /nfs/dbraw/zinc/52/97/39/386529739.db2.gz GNOJGENWNCTYLX-ZDUSSCGKSA-N 2 2 248.330 0.615 10 0 BCAELP CC(C)(C)[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254566 386507926 /nfs/dbraw/zinc/50/79/26/386507926.db2.gz WECDTAHGJNLZOH-SNVBAGLBSA-N 2 2 236.319 0.599 10 0 BCAELP CCc1nnc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1C ZINC000519651863 386520299 /nfs/dbraw/zinc/52/02/99/386520299.db2.gz GWRNEADEMPYODS-VHSXEESVSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1C ZINC000519651863 386520302 /nfs/dbraw/zinc/52/03/02/386520302.db2.gz GWRNEADEMPYODS-VHSXEESVSA-N 2 2 237.351 0.547 10 0 BCAELP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH3+] ZINC000238855479 386537302 /nfs/dbraw/zinc/53/73/02/386537302.db2.gz SADIJZYBXRUBQD-RKDXNWHRSA-N 2 2 212.272 0.291 10 0 BCAELP CC[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000122100209 386735980 /nfs/dbraw/zinc/73/59/80/386735980.db2.gz AOGWMLPPQCYDMK-CYBMUJFWSA-N 2 2 248.330 0.758 10 0 BCAELP F[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575461782 387031992 /nfs/dbraw/zinc/03/19/92/387031992.db2.gz LQCLIRHWPSKRIK-RKDXNWHRSA-N 2 2 204.314 0.735 10 0 BCAELP F[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575461782 387031996 /nfs/dbraw/zinc/03/19/96/387031996.db2.gz LQCLIRHWPSKRIK-RKDXNWHRSA-N 2 2 204.314 0.735 10 0 BCAELP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000645685077 387267609 /nfs/dbraw/zinc/26/76/09/387267609.db2.gz SNQJRGLJHWYQHG-IUCAKERBSA-N 2 2 247.289 0.194 10 0 BCAELP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000645685077 387267613 /nfs/dbraw/zinc/26/76/13/387267613.db2.gz SNQJRGLJHWYQHG-IUCAKERBSA-N 2 2 247.289 0.194 10 0 BCAELP C[C@@H]1CS[C@@](C)([C@@H]2C[NH2+]CCO2)[NH2+]1 ZINC000575517895 387433901 /nfs/dbraw/zinc/43/39/01/387433901.db2.gz NXEIBGMJBPATLK-VGMNWLOBSA-N 2 2 202.323 0.416 10 0 BCAELP Cc1c(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000235680323 388374418 /nfs/dbraw/zinc/37/44/18/388374418.db2.gz NVLROEAPCACTIN-KWQFWETISA-N 2 2 208.309 0.508 10 0 BCAELP Cc1c(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000235680323 388374421 /nfs/dbraw/zinc/37/44/21/388374421.db2.gz NVLROEAPCACTIN-KWQFWETISA-N 2 2 208.309 0.508 10 0 BCAELP Cn1cc[nH+]c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247108915 388659114 /nfs/dbraw/zinc/65/91/14/388659114.db2.gz IWAMCMQURODEEW-NSHDSACASA-N 2 2 220.320 0.700 10 0 BCAELP Cn1cc[nH+]c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247108915 388659116 /nfs/dbraw/zinc/65/91/16/388659116.db2.gz IWAMCMQURODEEW-NSHDSACASA-N 2 2 220.320 0.700 10 0 BCAELP C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000396458376 388702231 /nfs/dbraw/zinc/70/22/31/388702231.db2.gz HFNATPOJGSXDFA-ZJUUUORDSA-N 2 2 226.299 0.552 10 0 BCAELP C[NH2+]C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000396458370 388702487 /nfs/dbraw/zinc/70/24/87/388702487.db2.gz HFNATPOJGSXDFA-VHSXEESVSA-N 2 2 226.299 0.552 10 0 BCAELP F[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575461781 388816276 /nfs/dbraw/zinc/81/62/76/388816276.db2.gz LQCLIRHWPSKRIK-IUCAKERBSA-N 2 2 204.314 0.735 10 0 BCAELP F[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCS2)C1 ZINC000575461781 388816279 /nfs/dbraw/zinc/81/62/79/388816279.db2.gz LQCLIRHWPSKRIK-IUCAKERBSA-N 2 2 204.314 0.735 10 0 BCAELP CN1c2ccccc2[C@H]([NH2+]CC[NH3+])CC1=O ZINC000037713031 132344934 /nfs/dbraw/zinc/34/49/34/132344934.db2.gz DBFCVCXTSVWNFV-SNVBAGLBSA-N 2 2 219.288 0.643 10 0 BCAELP Nn1cc(C(F)(F)F)ccc1=[N+]1CC[NH2+]CC1 ZINC000000157900 132312916 /nfs/dbraw/zinc/31/29/16/132312916.db2.gz QVBSOUIVIFLNNS-UHFFFAOYSA-N 2 2 247.244 0.116 10 0 BCAELP CC[NH+]1CCN(c2nc[nH+]c(NC)c2N)CC1 ZINC000040706825 132348297 /nfs/dbraw/zinc/34/82/97/132348297.db2.gz TYFUQNWMQUTDKK-UHFFFAOYSA-N 2 2 236.323 0.242 10 0 BCAELP CNC(=O)[C@H]1CCCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000061811685 132387124 /nfs/dbraw/zinc/38/71/24/132387124.db2.gz KRSOAZOWSLLWOO-GFCCVEGCSA-N 2 2 248.330 0.645 10 0 BCAELP C[NH2+]C1CCN(c2[nH+]cccc2O)CC1 ZINC000095071534 132429911 /nfs/dbraw/zinc/42/99/11/132429911.db2.gz RRJMIECUTJLRLF-UHFFFAOYSA-N 2 2 207.277 0.975 10 0 BCAELP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772247 135141911 /nfs/dbraw/zinc/14/19/11/135141911.db2.gz DHENZZMZMSLJCS-GHMZBOCLSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772247 135141912 /nfs/dbraw/zinc/14/19/12/135141912.db2.gz DHENZZMZMSLJCS-GHMZBOCLSA-N 2 2 225.336 0.149 10 0 BCAELP CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261532807 135163079 /nfs/dbraw/zinc/16/30/79/135163079.db2.gz KFWHREVUEYZEQP-AEJSXWLSSA-N 2 2 212.293 0.219 10 0 BCAELP CCOC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261532807 135163081 /nfs/dbraw/zinc/16/30/81/135163081.db2.gz KFWHREVUEYZEQP-AEJSXWLSSA-N 2 2 212.293 0.219 10 0 BCAELP CCC[C@](C)([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000261534564 135168056 /nfs/dbraw/zinc/16/80/56/135168056.db2.gz MOTYBZJAWCLQDK-VIFPVBQESA-N 2 2 215.322 0.723 10 0 BCAELP Cc1cnn(CC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000261536508 135172469 /nfs/dbraw/zinc/17/24/69/135172469.db2.gz RZKMPGKZPVGRQA-NSHDSACASA-N 2 2 208.309 0.615 10 0 BCAELP Cc1cnn(CC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000261536508 135172471 /nfs/dbraw/zinc/17/24/71/135172471.db2.gz RZKMPGKZPVGRQA-NSHDSACASA-N 2 2 208.309 0.615 10 0 BCAELP C[C@H]1C[C@H](C)[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261538611 135176338 /nfs/dbraw/zinc/17/63/38/135176338.db2.gz YSJWKKYGLFEVPI-YUMQZZPRSA-N 2 2 210.281 0.759 10 0 BCAELP C[C@H]1C[C@H](C)[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261538611 135176339 /nfs/dbraw/zinc/17/63/39/135176339.db2.gz YSJWKKYGLFEVPI-YUMQZZPRSA-N 2 2 210.281 0.759 10 0 BCAELP COC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261538408 135176375 /nfs/dbraw/zinc/17/63/75/135176375.db2.gz XZHHFNYJYAONFU-ZJUUUORDSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261538408 135176376 /nfs/dbraw/zinc/17/63/76/135176376.db2.gz XZHHFNYJYAONFU-ZJUUUORDSA-N 2 2 214.309 0.609 10 0 BCAELP Cc1nc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000261553704 135192537 /nfs/dbraw/zinc/19/25/37/135192537.db2.gz SRCCLXYKTUDNFA-WPRPVWTQSA-N 2 2 227.333 0.121 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@H]12 ZINC000261555356 135195707 /nfs/dbraw/zinc/19/57/07/135195707.db2.gz BKCJUIYCWXWEKI-FBIMIBRVSA-N 2 2 248.334 0.177 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@H]12 ZINC000261555356 135195708 /nfs/dbraw/zinc/19/57/08/135195708.db2.gz BKCJUIYCWXWEKI-FBIMIBRVSA-N 2 2 248.334 0.177 10 0 BCAELP Cc1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000261561147 135202256 /nfs/dbraw/zinc/20/22/56/135202256.db2.gz AJZSYSGNHQGHFP-WDEREUQCSA-N 2 2 218.304 0.831 10 0 BCAELP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562321 135203546 /nfs/dbraw/zinc/20/35/46/135203546.db2.gz WFCZDPQBAMDUQK-GHMZBOCLSA-N 2 2 241.379 0.960 10 0 BCAELP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261562321 135203547 /nfs/dbraw/zinc/20/35/47/135203547.db2.gz WFCZDPQBAMDUQK-GHMZBOCLSA-N 2 2 241.379 0.960 10 0 BCAELP Cc1nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc[nH+]1 ZINC000261564174 135205770 /nfs/dbraw/zinc/20/57/70/135205770.db2.gz CIWINPDUORGCJQ-GHMZBOCLSA-N 2 2 218.304 0.973 10 0 BCAELP CCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261581220 135221691 /nfs/dbraw/zinc/22/16/91/135221691.db2.gz NJVYPVWISAVCBG-JTQLQIEISA-N 2 2 227.352 0.572 10 0 BCAELP CCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261581220 135221694 /nfs/dbraw/zinc/22/16/94/135221694.db2.gz NJVYPVWISAVCBG-JTQLQIEISA-N 2 2 227.352 0.572 10 0 BCAELP C[C@]1(C[N@@H+]2CCc3cncnc3C2)CC[NH2+]C1 ZINC000261895969 135260804 /nfs/dbraw/zinc/26/08/04/135260804.db2.gz UXKKFJALECIGHE-ZDUSSCGKSA-N 2 2 232.331 0.834 10 0 BCAELP C[C@]1(C[N@H+]2CCc3cncnc3C2)CC[NH2+]C1 ZINC000261895969 135260805 /nfs/dbraw/zinc/26/08/05/135260805.db2.gz UXKKFJALECIGHE-ZDUSSCGKSA-N 2 2 232.331 0.834 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000262043093 135275954 /nfs/dbraw/zinc/27/59/54/135275954.db2.gz YPPYIQCWGOVHOB-CHWSQXEVSA-N 2 2 239.363 0.002 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000262043093 135275956 /nfs/dbraw/zinc/27/59/56/135275956.db2.gz YPPYIQCWGOVHOB-CHWSQXEVSA-N 2 2 239.363 0.002 10 0 BCAELP [NH3+]CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000262914517 135324377 /nfs/dbraw/zinc/32/43/77/135324377.db2.gz GDZNVQJTRQXNQR-UHFFFAOYSA-N 2 2 238.335 0.014 10 0 BCAELP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)nc1 ZINC000263166171 135336109 /nfs/dbraw/zinc/33/61/09/135336109.db2.gz FFQXTXHPBNOWQO-JQWIXIFHSA-N 2 2 221.304 0.060 10 0 BCAELP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000080626082 135383434 /nfs/dbraw/zinc/38/34/34/135383434.db2.gz ZMGZDNLYVCDGEN-LLVKDONJSA-N 2 2 244.298 0.596 10 0 BCAELP [NH3+][C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000085011999 135478250 /nfs/dbraw/zinc/47/82/50/135478250.db2.gz ZAQNCFYKYCNTDL-ZJUUUORDSA-N 2 2 222.292 0.127 10 0 BCAELP c1ccc(NCCCN2CC[NH2+]CC2)[nH+]c1 ZINC000035307759 398091898 /nfs/dbraw/zinc/09/18/98/398091898.db2.gz DLCBLUITADBIRR-UHFFFAOYSA-N 2 2 220.320 0.789 10 0 BCAELP CC(C)[NH2+]C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000062250142 167115435 /nfs/dbraw/zinc/11/54/35/167115435.db2.gz WLHCLIJRYSBZNW-NSHDSACASA-N 2 2 240.351 0.211 10 0 BCAELP CC(C)OCCC[N@H+]1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000071534946 167214932 /nfs/dbraw/zinc/21/49/32/167214932.db2.gz GVYQDEMPIMOBNA-NEPJUHHUSA-N 2 2 230.352 0.850 10 0 BCAELP C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000082280845 487588979 /nfs/dbraw/zinc/58/89/79/487588979.db2.gz KRRCZPVAPGCGOU-ZJUUUORDSA-N 2 2 236.319 0.597 10 0 BCAELP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCC[NH2+]C1 ZINC000650759127 410406483 /nfs/dbraw/zinc/40/64/83/410406483.db2.gz DOCQETBPUBGNKS-ZJUUUORDSA-N 2 2 223.324 0.293 10 0 BCAELP CC(C)([NH3+])c1cn(CCCn2cc[nH+]c2)nn1 ZINC000070117838 410664713 /nfs/dbraw/zinc/66/47/13/410664713.db2.gz HGOFDGJHDXIEPX-UHFFFAOYSA-N 2 2 234.307 0.759 10 0 BCAELP CC(C)[C@@H](CO)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000395312737 410844360 /nfs/dbraw/zinc/84/43/60/410844360.db2.gz HNROTGCTNGBDQH-WDEREUQCSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)[C@@H](CO)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000395312737 410844366 /nfs/dbraw/zinc/84/43/66/410844366.db2.gz HNROTGCTNGBDQH-WDEREUQCSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000042607985 167049470 /nfs/dbraw/zinc/04/94/70/167049470.db2.gz QNKWFWFLEPDRDZ-GFCCVEGCSA-N 2 2 241.379 0.975 10 0 BCAELP CC(C)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000042607985 167049471 /nfs/dbraw/zinc/04/94/71/167049471.db2.gz QNKWFWFLEPDRDZ-GFCCVEGCSA-N 2 2 241.379 0.975 10 0 BCAELP CC(C)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000026514082 167079720 /nfs/dbraw/zinc/07/97/20/167079720.db2.gz DQHRUGCQACIJRM-SECBINFHSA-N 2 2 213.325 0.323 10 0 BCAELP CC(C)[NH2+]CCN1CCn2cc[nH+]c2C1 ZINC000062250757 167107345 /nfs/dbraw/zinc/10/73/45/167107345.db2.gz BEWNJIRBHOJRMG-UHFFFAOYSA-N 2 2 208.309 0.697 10 0 BCAELP CC(C)[NH2+]CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC000049474536 167107815 /nfs/dbraw/zinc/10/78/15/167107815.db2.gz ILHMLMURUOQDNK-UHFFFAOYSA-N 3 2 242.411 0.212 10 0 BCAELP CC(C)OCCC[N@@H+]1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000071534946 167214929 /nfs/dbraw/zinc/21/49/29/167214929.db2.gz GVYQDEMPIMOBNA-NEPJUHHUSA-N 2 2 230.352 0.850 10 0 BCAELP CC(C)OCCN1CC[NH+](C[C@@H](C)C[NH3+])CC1 ZINC000049259254 167235560 /nfs/dbraw/zinc/23/55/60/167235560.db2.gz CKXABIUQAVVYAK-ZDUSSCGKSA-N 2 2 243.395 0.624 10 0 BCAELP CC(C)[C@@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062249126 167396906 /nfs/dbraw/zinc/39/69/06/167396906.db2.gz YMWFJEFKRCSVGE-SNVBAGLBSA-N 2 2 208.309 0.682 10 0 BCAELP CC(C)C[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254765 411197850 /nfs/dbraw/zinc/19/78/50/411197850.db2.gz PUFAWJOANPHLQL-SNVBAGLBSA-N 2 2 236.319 0.599 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCc1c[nH+]c[nH]1 ZINC000129113691 411230012 /nfs/dbraw/zinc/23/00/12/411230012.db2.gz AJNVCMGDZSKCLU-SECBINFHSA-N 2 2 210.281 0.399 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCc1c[nH]c[nH+]1 ZINC000129113691 411230015 /nfs/dbraw/zinc/23/00/15/411230015.db2.gz AJNVCMGDZSKCLU-SECBINFHSA-N 2 2 210.281 0.399 10 0 BCAELP CCC[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645742 411271772 /nfs/dbraw/zinc/27/17/72/411271772.db2.gz JJANNDRIWPTNLO-MRVPVSSYSA-N 2 2 210.281 0.496 10 0 BCAELP Nc1cc([C@H]2C[N@H+](CCO)CCCO2)cc[nH+]1 ZINC000616598664 411281354 /nfs/dbraw/zinc/28/13/54/411281354.db2.gz OWRHUXPSZWDAAB-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP Nc1cc([C@H]2C[N@@H+](CCO)CCCO2)cc[nH+]1 ZINC000616598664 411281359 /nfs/dbraw/zinc/28/13/59/411281359.db2.gz OWRHUXPSZWDAAB-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP Nc1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)cn1 ZINC000616621162 411287206 /nfs/dbraw/zinc/28/72/06/411287206.db2.gz PNILNJLJLLRADO-LLVKDONJSA-N 2 2 220.320 0.802 10 0 BCAELP Nc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)cn1 ZINC000616621162 411287208 /nfs/dbraw/zinc/28/72/08/411287208.db2.gz PNILNJLJLLRADO-LLVKDONJSA-N 2 2 220.320 0.802 10 0 BCAELP COC(=O)N1CC[NH2+]C[C@H]1c1cc[nH+]c(N)c1 ZINC000616635788 411259473 /nfs/dbraw/zinc/25/94/73/411259473.db2.gz MLZQURKHURSKFX-VIFPVBQESA-N 2 2 236.275 0.377 10 0 BCAELP O=C1NCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657338111 411473310 /nfs/dbraw/zinc/47/33/10/411473310.db2.gz QCCLDQMUYQCYOH-SNVBAGLBSA-N 2 2 234.303 0.198 10 0 BCAELP CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC000036301646 170092739 /nfs/dbraw/zinc/09/27/39/170092739.db2.gz JSVKQVVEOHZMRY-VIFPVBQESA-N 2 2 213.325 0.195 10 0 BCAELP CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301646 170092741 /nfs/dbraw/zinc/09/27/41/170092741.db2.gz JSVKQVVEOHZMRY-VIFPVBQESA-N 2 2 213.325 0.195 10 0 BCAELP CC[NH2+]C(C)(C)C(=O)NCCc1[nH+]ccn1C ZINC000061298236 170107492 /nfs/dbraw/zinc/10/74/92/170107492.db2.gz CHXNYTIVBGBTAF-UHFFFAOYSA-N 2 2 238.335 0.467 10 0 BCAELP CC[NH2+]CC[N@@H+]1CCCC[C@@H]1CCO ZINC000042409294 170113774 /nfs/dbraw/zinc/11/37/74/170113774.db2.gz AIGCCNXNDGHDAE-LLVKDONJSA-N 2 2 200.326 0.833 10 0 BCAELP CC[NH2+]CC[N@H+]1CCCC[C@@H]1CCO ZINC000042409294 170113775 /nfs/dbraw/zinc/11/37/75/170113775.db2.gz AIGCCNXNDGHDAE-LLVKDONJSA-N 2 2 200.326 0.833 10 0 BCAELP CCOC(=O)[C@H](CCN(C)CC[NH+](C)C)[NH2+]C ZINC000104194689 170272886 /nfs/dbraw/zinc/27/28/86/170272886.db2.gz AUOVVZBNEUJLNZ-NSHDSACASA-N 2 2 245.367 0.021 10 0 BCAELP Nc1ccc([C@H]2CC[N@H+](CCO)CCO2)c[nH+]1 ZINC000616595098 411959616 /nfs/dbraw/zinc/95/96/16/411959616.db2.gz JVAXIXGAFGBVIP-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP Nc1ccc([C@H]2CC[N@@H+](CCO)CCO2)c[nH+]1 ZINC000616595098 411959621 /nfs/dbraw/zinc/95/96/21/411959621.db2.gz JVAXIXGAFGBVIP-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070823034 171242738 /nfs/dbraw/zinc/24/27/38/171242738.db2.gz IXRIHYZAHPWPQE-NXEZZACHSA-N 2 2 213.325 0.134 10 0 BCAELP CC[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070823034 171242739 /nfs/dbraw/zinc/24/27/39/171242739.db2.gz IXRIHYZAHPWPQE-NXEZZACHSA-N 2 2 213.325 0.134 10 0 BCAELP CC[C@H](C(N)=O)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000070823034 171242740 /nfs/dbraw/zinc/24/27/40/171242740.db2.gz IXRIHYZAHPWPQE-NXEZZACHSA-N 2 2 213.325 0.134 10 0 BCAELP CC[C@H](C(N)=O)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070823034 171242741 /nfs/dbraw/zinc/24/27/41/171242741.db2.gz IXRIHYZAHPWPQE-NXEZZACHSA-N 2 2 213.325 0.134 10 0 BCAELP CC[C@H]1CC[N@H+](CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662681 171631207 /nfs/dbraw/zinc/63/12/07/171631207.db2.gz TYIDSLUVCFKUGB-NSHDSACASA-N 2 2 248.392 0.495 10 0 BCAELP CC[C@H]1CC[N@@H+](CCS(C)(=O)=O)CCC[NH2+]1 ZINC000049662681 171631209 /nfs/dbraw/zinc/63/12/09/171631209.db2.gz TYIDSLUVCFKUGB-NSHDSACASA-N 2 2 248.392 0.495 10 0 BCAELP C[C@@H](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000662635046 412251517 /nfs/dbraw/zinc/25/15/17/412251517.db2.gz UMYLPPCCWJNAPM-DTWKUNHWSA-N 2 2 249.305 0.440 10 0 BCAELP CN(C(=O)C[NH+]1CCC([NH3+])CC1)C1=CCCC1 ZINC000036754441 172308787 /nfs/dbraw/zinc/30/87/87/172308787.db2.gz SOJLGHDPTASRCX-UHFFFAOYSA-N 2 2 237.347 0.936 10 0 BCAELP C[N@H+]1CCCC[C@H]1C[NH2+]CCN1CCOCC1 ZINC000044562687 173009807 /nfs/dbraw/zinc/00/98/07/173009807.db2.gz PKUMDBLXDBBTOP-ZDUSSCGKSA-N 2 2 241.379 0.393 10 0 BCAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CCN1CCOCC1 ZINC000044562687 173009804 /nfs/dbraw/zinc/00/98/04/173009804.db2.gz PKUMDBLXDBBTOP-ZDUSSCGKSA-N 2 2 241.379 0.393 10 0 BCAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC2(C)C)CC1 ZINC000045134201 173068088 /nfs/dbraw/zinc/06/80/88/173068088.db2.gz OAOMYYARFHEPQU-JTQLQIEISA-N 2 2 225.336 0.149 10 0 BCAELP C[NH+](CC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000071190945 173111352 /nfs/dbraw/zinc/11/13/52/173111352.db2.gz NOLDLRLYVOOXEG-PWSUYJOCSA-N 2 2 243.351 0.062 10 0 BCAELP C[NH+](CC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190945 173111354 /nfs/dbraw/zinc/11/13/54/173111354.db2.gz NOLDLRLYVOOXEG-PWSUYJOCSA-N 2 2 243.351 0.062 10 0 BCAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660070 173144101 /nfs/dbraw/zinc/14/41/01/173144101.db2.gz YOFKGTRXTLGWHO-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660070 173144102 /nfs/dbraw/zinc/14/41/02/173144102.db2.gz YOFKGTRXTLGWHO-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660070 173144104 /nfs/dbraw/zinc/14/41/04/173144104.db2.gz YOFKGTRXTLGWHO-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660070 173144105 /nfs/dbraw/zinc/14/41/05/173144105.db2.gz YOFKGTRXTLGWHO-STQMWFEESA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+]1CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000061988954 173153496 /nfs/dbraw/zinc/15/34/96/173153496.db2.gz ZEVXBOGNQHSIAG-LBPRGKRZSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@H+]1CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000061988954 173153497 /nfs/dbraw/zinc/15/34/97/173153497.db2.gz ZEVXBOGNQHSIAG-LBPRGKRZSA-N 2 2 205.305 0.918 10 0 BCAELP CN1CC[C@](C[NH3+])([N@H+]2CCCSCC2)C1 ZINC000061990441 173163304 /nfs/dbraw/zinc/16/33/04/173163304.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 2 2 229.393 0.458 10 0 BCAELP C[N@@H+]1CC[C@](C[NH3+])(N2CCCSCC2)C1 ZINC000061990441 173163297 /nfs/dbraw/zinc/16/32/97/173163297.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 2 2 229.393 0.458 10 0 BCAELP C[N@H+]1CC[C@](C[NH3+])(N2CCCSCC2)C1 ZINC000061990441 173163299 /nfs/dbraw/zinc/16/32/99/173163299.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 2 2 229.393 0.458 10 0 BCAELP CN1CC[C@](C[NH3+])([N@@H+]2CCCSCC2)C1 ZINC000061990441 173163302 /nfs/dbraw/zinc/16/33/02/173163302.db2.gz QFVROMAWOHBRFE-LLVKDONJSA-N 2 2 229.393 0.458 10 0 BCAELP C[N@@H+]1C[C@@H]2O[NH+]=C(c3ccc(N)cc3)[C@@H]2C1 ZINC000169358506 173198583 /nfs/dbraw/zinc/19/85/83/173198583.db2.gz YQAPLHYTMNJLOS-MNOVXSKESA-N 2 2 217.272 0.933 10 0 BCAELP C[N@H+]1C[C@@H]2O[NH+]=C(c3ccc(N)cc3)[C@@H]2C1 ZINC000169358506 173198585 /nfs/dbraw/zinc/19/85/85/173198585.db2.gz YQAPLHYTMNJLOS-MNOVXSKESA-N 2 2 217.272 0.933 10 0 BCAELP CNC(=O)C1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC000042317523 173223610 /nfs/dbraw/zinc/22/36/10/173223610.db2.gz CMEIDKVTTLLHPP-LLVKDONJSA-N 2 2 225.336 0.196 10 0 BCAELP CNC(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000051757714 173251798 /nfs/dbraw/zinc/25/17/98/173251798.db2.gz XJFDNMMFKSDDCB-UHFFFAOYSA-N 2 2 235.331 0.583 10 0 BCAELP CNC(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000051757714 173251801 /nfs/dbraw/zinc/25/18/01/173251801.db2.gz XJFDNMMFKSDDCB-UHFFFAOYSA-N 2 2 235.331 0.583 10 0 BCAELP CNC(=O)C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020048134 173277180 /nfs/dbraw/zinc/27/71/80/173277180.db2.gz KHXMNPOPWNIJCJ-UHFFFAOYSA-N 2 2 249.358 0.844 10 0 BCAELP CNC(=O)C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020048134 173277181 /nfs/dbraw/zinc/27/71/81/173277181.db2.gz KHXMNPOPWNIJCJ-UHFFFAOYSA-N 2 2 249.358 0.844 10 0 BCAELP CNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424540 173297621 /nfs/dbraw/zinc/29/76/21/173297621.db2.gz ZMDATXPPSOZFLE-TUAOUCFPSA-N 2 2 239.363 0.857 10 0 BCAELP CNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424540 173297622 /nfs/dbraw/zinc/29/76/22/173297622.db2.gz ZMDATXPPSOZFLE-TUAOUCFPSA-N 2 2 239.363 0.857 10 0 BCAELP CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139736 173301670 /nfs/dbraw/zinc/30/16/70/173301670.db2.gz BNUSRSYGXHTMDH-RYUDHWBXSA-N 2 2 241.379 0.831 10 0 BCAELP CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139736 173301671 /nfs/dbraw/zinc/30/16/71/173301671.db2.gz BNUSRSYGXHTMDH-RYUDHWBXSA-N 2 2 241.379 0.831 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000040600627 173367646 /nfs/dbraw/zinc/36/76/46/173367646.db2.gz XHEXLNSVRWVAND-NSHDSACASA-N 2 2 225.336 0.150 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000040600627 173367647 /nfs/dbraw/zinc/36/76/47/173367647.db2.gz XHEXLNSVRWVAND-NSHDSACASA-N 2 2 225.336 0.150 10 0 BCAELP C[NH2+]C[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000053703958 173380632 /nfs/dbraw/zinc/38/06/32/173380632.db2.gz NJRLNYLKOZEAHA-SNVBAGLBSA-N 2 2 206.293 0.973 10 0 BCAELP C[NH2+]Cc1ccoc1C[NH+]1CCN(C)CC1 ZINC000052379294 173391037 /nfs/dbraw/zinc/39/10/37/173391037.db2.gz GRMSFSHDXXEDCU-UHFFFAOYSA-N 2 2 223.320 0.746 10 0 BCAELP COC1CC[NH+](CC[NH2+]C[C@@H]2CCOC2)CC1 ZINC000053380388 174028098 /nfs/dbraw/zinc/02/80/98/174028098.db2.gz GHWABZCWDZWZQZ-LBPRGKRZSA-N 2 2 242.363 0.723 10 0 BCAELP COCCN(CCC(N)=[NH2+])c1cc(C)[nH+]cn1 ZINC000071229470 174289955 /nfs/dbraw/zinc/28/99/55/174289955.db2.gz QPNMYTYUFRSPOX-UHFFFAOYSA-N 2 2 237.307 0.564 10 0 BCAELP COCC[N@H+](CC[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000053433548 174292112 /nfs/dbraw/zinc/29/21/12/174292112.db2.gz DPKZAYHEWHTKAJ-ZDUSSCGKSA-N 2 2 242.363 0.866 10 0 BCAELP COCC[N@@H+](CC[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000053433548 174292113 /nfs/dbraw/zinc/29/21/13/174292113.db2.gz DPKZAYHEWHTKAJ-ZDUSSCGKSA-N 2 2 242.363 0.866 10 0 BCAELP COCC[NH+](CCOC)C[C@@H]1CCC[NH2+]1 ZINC000042442978 174295742 /nfs/dbraw/zinc/29/57/42/174295742.db2.gz RERZJODWSCBKQM-NSHDSACASA-N 2 2 216.325 0.333 10 0 BCAELP COCC[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886440 174317949 /nfs/dbraw/zinc/31/79/49/174317949.db2.gz OWDYQXVVZOFTKS-VIFPVBQESA-N 2 2 202.298 0.071 10 0 BCAELP COCC[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886440 174317951 /nfs/dbraw/zinc/31/79/51/174317951.db2.gz OWDYQXVVZOFTKS-VIFPVBQESA-N 2 2 202.298 0.071 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])cc(F)c1F ZINC000044474326 175014067 /nfs/dbraw/zinc/01/40/67/175014067.db2.gz FIMMLKAEZFCSHW-ZETCQYMHSA-N 2 2 202.204 0.932 10 0 BCAELP COc1cc2c(cc1OC)[C@H](C[NH3+])[NH2+]CC2 ZINC000038244922 175025841 /nfs/dbraw/zinc/02/58/41/175025841.db2.gz JAQPKUUNMMRLKX-JTQLQIEISA-N 2 2 222.288 0.849 10 0 BCAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1CC(=O)N1CCCC1 ZINC000104157015 176117333 /nfs/dbraw/zinc/11/73/33/176117333.db2.gz CIAFQSPMCFWWPW-NEPJUHHUSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1CC(=O)N1CCCC1 ZINC000104157015 176117334 /nfs/dbraw/zinc/11/73/34/176117334.db2.gz CIAFQSPMCFWWPW-NEPJUHHUSA-N 2 2 239.363 0.811 10 0 BCAELP C[C@@H]1C[N@@H+](C2CCS(=O)(=O)CC2)CC[C@@H]1[NH3+] ZINC000049711436 176283346 /nfs/dbraw/zinc/28/33/46/176283346.db2.gz KDBFUNXKEKCRMM-KOLCDFICSA-N 2 2 246.376 0.233 10 0 BCAELP C[C@@H]1C[N@H+](C2CCS(=O)(=O)CC2)CC[C@@H]1[NH3+] ZINC000049711436 176283347 /nfs/dbraw/zinc/28/33/47/176283347.db2.gz KDBFUNXKEKCRMM-KOLCDFICSA-N 2 2 246.376 0.233 10 0 BCAELP C[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000049710850 176283590 /nfs/dbraw/zinc/28/35/90/176283590.db2.gz VLWAPXJMFNQNKA-PWSUYJOCSA-N 3 2 211.353 0.750 10 0 BCAELP C[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000049710850 176283593 /nfs/dbraw/zinc/28/35/93/176283593.db2.gz VLWAPXJMFNQNKA-PWSUYJOCSA-N 3 2 211.353 0.750 10 0 BCAELP C[C@@H]1C[N@H+](Cc2cc(C[NH3+])co2)CCO1 ZINC000052382573 176301566 /nfs/dbraw/zinc/30/15/66/176301566.db2.gz DCOAIBWRUMGYRN-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH3+])co2)CCO1 ZINC000052382573 176301568 /nfs/dbraw/zinc/30/15/68/176301568.db2.gz DCOAIBWRUMGYRN-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])C2CCOCC2)C[C@@H](C)O1 ZINC000052176510 176315916 /nfs/dbraw/zinc/31/59/16/176315916.db2.gz MYQSIIUFIQVQJN-WZRBSPASSA-N 2 2 242.363 0.850 10 0 BCAELP C[C@@H]1C[NH2+]CCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000049664145 176324490 /nfs/dbraw/zinc/32/44/90/176324490.db2.gz QLWZEBSIXSTXSW-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP C[C@@H]1C[NH2+]CCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000049664145 176324491 /nfs/dbraw/zinc/32/44/91/176324491.db2.gz QLWZEBSIXSTXSW-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP C[C@@H]1COCC[N@@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657979 176337535 /nfs/dbraw/zinc/33/75/35/176337535.db2.gz HAPIWWDNVWCXTM-SECBINFHSA-N 2 2 234.303 0.586 10 0 BCAELP C[C@@H]1COCC[N@H+]1Cc1cccnc1C(N)=[NH2+] ZINC000061657979 176337537 /nfs/dbraw/zinc/33/75/37/176337537.db2.gz HAPIWWDNVWCXTM-SECBINFHSA-N 2 2 234.303 0.586 10 0 BCAELP C[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037771 176385891 /nfs/dbraw/zinc/38/58/91/176385891.db2.gz MMGKTPMORLSKPV-MNOVXSKESA-N 2 2 225.336 0.135 10 0 BCAELP C[C@H]1C[NH+](Cc2cc(C[NH3+])no2)C[C@H](C)O1 ZINC000052380605 177260844 /nfs/dbraw/zinc/26/08/44/177260844.db2.gz FSMGRSNOAIJHPW-IUCAKERBSA-N 2 2 225.292 0.743 10 0 BCAELP C[C@H]1CSC(NCCn2cc[nH+]c2)=[NH+]1 ZINC000042542226 177303315 /nfs/dbraw/zinc/30/33/15/177303315.db2.gz DVESUHTWVCOCTO-QMMMGPOBSA-N 2 2 210.306 0.964 10 0 BCAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@@H+]1C ZINC000095422829 177333608 /nfs/dbraw/zinc/33/36/08/177333608.db2.gz FEPONRPRDXDPDF-HBNTYKKESA-N 2 2 225.336 0.289 10 0 BCAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@H+]1C ZINC000095422829 177333610 /nfs/dbraw/zinc/33/36/10/177333610.db2.gz FEPONRPRDXDPDF-HBNTYKKESA-N 2 2 225.336 0.289 10 0 BCAELP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[N@@H+]1C ZINC000089920306 177371168 /nfs/dbraw/zinc/37/11/68/177371168.db2.gz SWHWXBREZMEPNY-YFKTTZPYSA-N 2 2 212.337 0.972 10 0 BCAELP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[N@H+]1C ZINC000089920306 177371169 /nfs/dbraw/zinc/37/11/69/177371169.db2.gz SWHWXBREZMEPNY-YFKTTZPYSA-N 2 2 212.337 0.972 10 0 BCAELP C[C@H]1NC(=O)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000282522611 177394030 /nfs/dbraw/zinc/39/40/30/177394030.db2.gz YIQYPDKJLIPZJB-GHMZBOCLSA-N 2 2 236.319 0.530 10 0 BCAELP C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000400434909 226343323 /nfs/dbraw/zinc/34/33/23/226343323.db2.gz LAXBCZKIEAMENT-QJPTWQEYSA-N 2 2 227.352 0.047 10 0 BCAELP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1[NH3+] ZINC000314925465 487670321 /nfs/dbraw/zinc/67/03/21/487670321.db2.gz QBBBQMYRKUNPEO-JQWIXIFHSA-N 3 2 222.336 0.632 10 0 BCAELP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1[NH3+] ZINC000314925465 487670323 /nfs/dbraw/zinc/67/03/23/487670323.db2.gz QBBBQMYRKUNPEO-JQWIXIFHSA-N 3 2 222.336 0.632 10 0 BCAELP C[N@H+](C[C@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250490656 487732893 /nfs/dbraw/zinc/73/28/93/487732893.db2.gz XZLKAQQXDAOYEH-GHMZBOCLSA-N 2 2 214.309 0.086 10 0 BCAELP C[N@@H+](C[C@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000250490656 487732900 /nfs/dbraw/zinc/73/29/00/487732900.db2.gz XZLKAQQXDAOYEH-GHMZBOCLSA-N 2 2 214.309 0.086 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462353 487822541 /nfs/dbraw/zinc/82/25/41/487822541.db2.gz VVBZLBZCMRHWTB-ZJUUUORDSA-N 2 2 236.319 0.411 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157933802 487930281 /nfs/dbraw/zinc/93/02/81/487930281.db2.gz TVAPQMIQMAWTTD-UWVGGRQHSA-N 2 2 236.319 0.443 10 0 BCAELP C[C@H](C[NH3+])Nc1cc(N2CCCC2)[nH+]cn1 ZINC000258660646 323146540 /nfs/dbraw/zinc/14/65/40/323146540.db2.gz NLYCVZMZANDFJP-SECBINFHSA-N 2 2 221.308 0.836 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1C ZINC000568512140 326361708 /nfs/dbraw/zinc/36/17/08/326361708.db2.gz ILLPYBDCXISVMJ-NXEZZACHSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1C ZINC000568512140 326361706 /nfs/dbraw/zinc/36/17/06/326361706.db2.gz ILLPYBDCXISVMJ-NXEZZACHSA-N 2 2 237.351 0.547 10 0 BCAELP Nc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000309644733 488010697 /nfs/dbraw/zinc/01/06/97/488010697.db2.gz VRPDKWGISWBYAI-JTQLQIEISA-N 2 2 206.293 0.587 10 0 BCAELP Nc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000309644733 488010703 /nfs/dbraw/zinc/01/07/03/488010703.db2.gz VRPDKWGISWBYAI-JTQLQIEISA-N 2 2 206.293 0.587 10 0 BCAELP Cn1cc(C[NH2+][C@H]2CCC[NH2+]CC2)nn1 ZINC000389834930 488116462 /nfs/dbraw/zinc/11/64/62/488116462.db2.gz MXTDCYGWQKRZNA-VIFPVBQESA-N 2 2 209.297 0.047 10 0 BCAELP C[C@H](O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000235548014 488137891 /nfs/dbraw/zinc/13/78/91/488137891.db2.gz RHSMZNAEMATHNN-JQWIXIFHSA-N 2 2 228.336 0.068 10 0 BCAELP CCn1cc(C[NH2+][C@H]2CCC[NH2+]CC2)nn1 ZINC000404431727 488159374 /nfs/dbraw/zinc/15/93/74/488159374.db2.gz NJDBTIAFFGBCND-JTQLQIEISA-N 2 2 223.324 0.530 10 0 BCAELP O=C(NCc1c[nH+]c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000084081146 490365606 /nfs/dbraw/zinc/36/56/06/490365606.db2.gz VZTMTDZOXIVSAU-QMMMGPOBSA-N 2 2 208.265 0.026 10 0 BCAELP O=C(NCc1c[nH]c[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000084081146 490365612 /nfs/dbraw/zinc/36/56/12/490365612.db2.gz VZTMTDZOXIVSAU-QMMMGPOBSA-N 2 2 208.265 0.026 10 0 BCAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309630333 491153196 /nfs/dbraw/zinc/15/31/96/491153196.db2.gz KFAMQFSINKHJGX-LBPRGKRZSA-N 2 2 223.320 0.561 10 0 BCAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309630333 491153197 /nfs/dbraw/zinc/15/31/97/491153197.db2.gz KFAMQFSINKHJGX-LBPRGKRZSA-N 2 2 223.320 0.561 10 0 BCAELP [NH3+]C[C@H]1CCN1c1cccc2[nH+]ccn21 ZINC000757145444 582527981 /nfs/dbraw/zinc/52/79/81/582527981.db2.gz LLBLWSAURYITHP-SECBINFHSA-N 2 2 202.261 0.872 10 0 BCAELP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000400585269 533897678 /nfs/dbraw/zinc/89/76/78/533897678.db2.gz RWTHPPRITNYIRZ-FXQIFTODSA-N 2 2 226.242 0.640 10 0 BCAELP C[NH2+][C@@](C)(CCCn1cc[nH+]c1)C(N)=O ZINC000045431760 582878279 /nfs/dbraw/zinc/87/82/79/582878279.db2.gz IEYUPVMXXAISTQ-JTQLQIEISA-N 2 2 210.281 0.127 10 0 BCAELP C[NH2+][C@@](C)(Cn1cc[nH+]c1C)C(=O)OC ZINC000045432878 582879001 /nfs/dbraw/zinc/87/90/01/582879001.db2.gz VABIKSXPOSLKHD-JTQLQIEISA-N 2 2 211.265 0.343 10 0 BCAELP CCOC(=O)[C@](C)([NH3+])Cn1cc[nH+]c1C ZINC000045432866 582879562 /nfs/dbraw/zinc/87/95/62/582879562.db2.gz MRPHHGJCQAJFOT-SNVBAGLBSA-N 2 2 211.265 0.472 10 0 BCAELP CCc1[nH+]ccn1C[C@@](C)([NH3+])C(=O)OC ZINC000045460755 582879816 /nfs/dbraw/zinc/87/98/16/582879816.db2.gz RNJJCDCTCCHRLC-SNVBAGLBSA-N 2 2 211.265 0.336 10 0 BCAELP CC[C@@](C)(O)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249129681 536003512 /nfs/dbraw/zinc/00/35/12/536003512.db2.gz RXQLWNOIPSFWHA-NWDGAFQWSA-N 2 2 230.352 0.410 10 0 BCAELP CC[C@@](C)(O)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249129681 536003518 /nfs/dbraw/zinc/00/35/18/536003518.db2.gz RXQLWNOIPSFWHA-NWDGAFQWSA-N 2 2 230.352 0.410 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261536762 536630367 /nfs/dbraw/zinc/63/03/67/536630367.db2.gz SVBMWEGJIGFTAR-AXTSPUMRSA-N 2 2 212.293 0.217 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261536762 536630372 /nfs/dbraw/zinc/63/03/72/536630372.db2.gz SVBMWEGJIGFTAR-AXTSPUMRSA-N 2 2 212.293 0.217 10 0 BCAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(N)=O)C1 ZINC000393604470 582817168 /nfs/dbraw/zinc/81/71/68/582817168.db2.gz ITTLMYXPNWCEBE-VHSXEESVSA-N 2 2 213.325 0.180 10 0 BCAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(N)=O)C1 ZINC000393604470 582817172 /nfs/dbraw/zinc/81/71/72/582817172.db2.gz ITTLMYXPNWCEBE-VHSXEESVSA-N 2 2 213.325 0.180 10 0 BCAELP C[NH2+]C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000259299472 582821082 /nfs/dbraw/zinc/82/10/82/582821082.db2.gz KAQKFZBDVBVZQC-SNVBAGLBSA-N 2 2 210.277 0.923 10 0 BCAELP COC(=O)[C@H]([NH3+])Cn1cc[nH+]c1C(C)C ZINC000045430430 582878174 /nfs/dbraw/zinc/87/81/74/582878174.db2.gz PGVCOQRAQKHFND-MRVPVSSYSA-N 2 2 211.265 0.507 10 0 BCAELP COc1cc[nH+]cc1Cn1cc[nH+]c1N ZINC000702449223 582926760 /nfs/dbraw/zinc/92/67/60/582926760.db2.gz GTZUVGXHSHVHJD-UHFFFAOYSA-N 2 2 204.233 0.917 10 0 BCAELP [NH3+]CC[NH+]1CCC(NC(=O)CC2CC2)CC1 ZINC000082491386 583801482 /nfs/dbraw/zinc/80/14/82/583801482.db2.gz JVNVGLWKTURUKF-UHFFFAOYSA-N 2 2 225.336 0.326 10 0 BCAELP C[NH2+][C@@H]1CCC[C@H]([N@@H+]2CC[C@H]2C(N)=O)C1 ZINC000757159580 586430498 /nfs/dbraw/zinc/43/04/98/586430498.db2.gz QLNJFLFETLCMRE-UTLUCORTSA-N 2 2 211.309 0.077 10 0 BCAELP C[NH2+][C@@H]1CCC[C@H]([N@H+]2CC[C@H]2C(N)=O)C1 ZINC000757159580 586430499 /nfs/dbraw/zinc/43/04/99/586430499.db2.gz QLNJFLFETLCMRE-UTLUCORTSA-N 2 2 211.309 0.077 10 0 BCAELP [NH3+][C@@H](CO)Cc1cn(CC2CCOCC2)c[nH+]1 ZINC000757185309 586433954 /nfs/dbraw/zinc/43/39/54/586433954.db2.gz DGMWFHJXUXCGKX-LLVKDONJSA-N 2 2 239.319 0.172 10 0 BCAELP COC(=O)[C@H]1C[NH2+]C[C@]12C[NH+]1CCC2CC1 ZINC000757185276 586434236 /nfs/dbraw/zinc/43/42/36/586434236.db2.gz QRWABILUNKEDML-ZYHUDNBSSA-N 2 2 224.304 0.091 10 0 BCAELP [NH3+]Cc1cccc([C@H]2[NH2+]CCC[C@@H]2[NH3+])c1 ZINC000757215141 586440376 /nfs/dbraw/zinc/44/03/76/586440376.db2.gz NIOPPBSWFWPYQV-NWDGAFQWSA-N 3 2 205.305 0.897 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@@H](C)C[C@@H]2[NH3+])cn1 ZINC000757235788 586443774 /nfs/dbraw/zinc/44/37/74/586443774.db2.gz MTGUWQZLEAVQMW-LSJOCFKGSA-N 2 2 208.309 0.901 10 0 BCAELP Cc1c(C[N@@H+]2CCC[C@H]2C[NH3+])cnn1C ZINC000020315808 590097174 /nfs/dbraw/zinc/09/71/74/590097174.db2.gz RAFFEDRQNZVGAX-NSHDSACASA-N 2 2 208.309 0.652 10 0 BCAELP Cc1c(C[N@H+]2CCC[C@H]2C[NH3+])cnn1C ZINC000020315808 590097177 /nfs/dbraw/zinc/09/71/77/590097177.db2.gz RAFFEDRQNZVGAX-NSHDSACASA-N 2 2 208.309 0.652 10 0 BCAELP COc1cc(C)[nH+]c(COC2C[NH2+]C2)c1 ZINC000125978665 590201953 /nfs/dbraw/zinc/20/19/53/590201953.db2.gz XWSIUTSHBOOEMS-UHFFFAOYSA-N 2 2 208.261 0.887 10 0 BCAELP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]1([NH3+])CC(N)=O ZINC000211634042 591209370 /nfs/dbraw/zinc/20/93/70/591209370.db2.gz YUUOWUSRZOHSIA-FZMZJTMJSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]1([NH3+])CC(N)=O ZINC000211634042 591209372 /nfs/dbraw/zinc/20/93/72/591209372.db2.gz YUUOWUSRZOHSIA-FZMZJTMJSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@H]1C[C@@]([NH3+])(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633712 591209458 /nfs/dbraw/zinc/20/94/58/591209458.db2.gz RAZYONAFKOBSBO-SMDDNHRTSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@H]1C[C@@]([NH3+])(CC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000211633712 591209461 /nfs/dbraw/zinc/20/94/61/591209461.db2.gz RAZYONAFKOBSBO-SMDDNHRTSA-N 2 2 247.342 0.854 10 0 BCAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000219539294 592226899 /nfs/dbraw/zinc/22/68/99/592226899.db2.gz OCUNCPHAVWGQPG-VXGBXAGGSA-N 2 2 228.336 0.068 10 0 BCAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000219539294 592226900 /nfs/dbraw/zinc/22/69/00/592226900.db2.gz OCUNCPHAVWGQPG-VXGBXAGGSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H](CC[NH3+])Nc1cc(N(C)C)nc[nH+]1 ZINC000258550104 631498572 /nfs/dbraw/zinc/49/85/72/631498572.db2.gz AMQBZZXWCIBUHU-QMMMGPOBSA-N 2 2 209.297 0.692 10 0 BCAELP C[C@@H](CC[NH3+])Nc1cc(N(C)C)[nH+]cn1 ZINC000258550104 631498574 /nfs/dbraw/zinc/49/85/74/631498574.db2.gz AMQBZZXWCIBUHU-QMMMGPOBSA-N 2 2 209.297 0.692 10 0 BCAELP CCCCOC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310309334 634113121 /nfs/dbraw/zinc/11/31/21/634113121.db2.gz DJFMMEOTFNNHQH-SDDRHHMPSA-N 2 2 240.347 0.999 10 0 BCAELP CCCCOC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310309334 634113126 /nfs/dbraw/zinc/11/31/26/634113126.db2.gz DJFMMEOTFNNHQH-SDDRHHMPSA-N 2 2 240.347 0.999 10 0 BCAELP C[C@@H]([NH3+])CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000258602413 635171736 /nfs/dbraw/zinc/17/17/36/635171736.db2.gz BEIKKMKODBVBQN-MRVPVSSYSA-N 2 2 209.297 0.326 10 0 BCAELP C[NH2+][C@](C)(CCCCn1cc[nH+]c1)C(N)=O ZINC000045431691 640557213 /nfs/dbraw/zinc/55/72/13/640557213.db2.gz STAVYHGKGLTSGE-LLVKDONJSA-N 2 2 224.308 0.517 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168933261 640833223 /nfs/dbraw/zinc/83/32/23/640833223.db2.gz WGXASWAASUYBLT-GHMZBOCLSA-N 2 2 216.325 0.195 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168933261 640833224 /nfs/dbraw/zinc/83/32/24/640833224.db2.gz WGXASWAASUYBLT-GHMZBOCLSA-N 2 2 216.325 0.195 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000227882982 640851731 /nfs/dbraw/zinc/85/17/31/640851731.db2.gz RXOZMCCJNJQQKN-GFCCVEGCSA-N 2 2 230.352 0.459 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000227882982 640851733 /nfs/dbraw/zinc/85/17/33/640851733.db2.gz RXOZMCCJNJQQKN-GFCCVEGCSA-N 2 2 230.352 0.459 10 0 BCAELP CCc1[nH+]ccn1CC[C@@H]([NH3+])C(=O)OC ZINC000062537418 641060403 /nfs/dbraw/zinc/06/04/03/641060403.db2.gz ILBQMAYRRZVJJM-MRVPVSSYSA-N 2 2 211.265 0.336 10 0 BCAELP CNc1cc(N2CC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000087829106 641061083 /nfs/dbraw/zinc/06/10/83/641061083.db2.gz APPTXDGQLSXZGM-VIFPVBQESA-N 2 2 221.308 0.659 10 0 BCAELP CC(C)COCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232679639 641342961 /nfs/dbraw/zinc/34/29/61/641342961.db2.gz CZTDDNTWGONACU-QWRGUYRKSA-N 2 2 200.326 0.938 10 0 BCAELP CC(C)COCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232679639 641342966 /nfs/dbraw/zinc/34/29/66/641342966.db2.gz CZTDDNTWGONACU-QWRGUYRKSA-N 2 2 200.326 0.938 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000252690885 643091734 /nfs/dbraw/zinc/09/17/34/643091734.db2.gz WGXASWAASUYBLT-WDEREUQCSA-N 2 2 216.325 0.195 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H]1C[NH3+] ZINC000252690885 643091737 /nfs/dbraw/zinc/09/17/37/643091737.db2.gz WGXASWAASUYBLT-WDEREUQCSA-N 2 2 216.325 0.195 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+]1CCCOCC(F)(F)F ZINC000757149193 643335272 /nfs/dbraw/zinc/33/52/72/643335272.db2.gz YVLUMTGMQLALHG-MRVPVSSYSA-N 2 2 226.242 0.988 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+]1CCCOCC(F)(F)F ZINC000757149193 643335277 /nfs/dbraw/zinc/33/52/77/643335277.db2.gz YVLUMTGMQLALHG-MRVPVSSYSA-N 2 2 226.242 0.988 10 0 BCAELP COC(=O)[C@]([NH3+])(Cn1cc[nH+]c1C)C1CC1 ZINC000068943091 643432405 /nfs/dbraw/zinc/43/24/05/643432405.db2.gz GBEZHHIDVDJJSG-NSHDSACASA-N 2 2 223.276 0.472 10 0 BCAELP C[NH2+][C@]1(C(N)=O)CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604639 644155718 /nfs/dbraw/zinc/15/57/18/644155718.db2.gz BASIGDAESFPANX-MWLCHTKSSA-N 2 2 222.292 0.442 10 0 BCAELP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583970 712854632 /nfs/dbraw/zinc/85/46/32/712854632.db2.gz NVOQIBXMISMZCO-ZJUUUORDSA-N 2 2 223.324 0.608 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000714431002 712486249 /nfs/dbraw/zinc/48/62/49/712486249.db2.gz YZENDTIGZPOXAT-WCQGTBRESA-N 2 2 235.335 0.467 10 0 BCAELP CCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1 ZINC000714431002 712486250 /nfs/dbraw/zinc/48/62/50/712486250.db2.gz YZENDTIGZPOXAT-WCQGTBRESA-N 2 2 235.335 0.467 10 0 BCAELP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000685955284 538900554 /nfs/dbraw/zinc/90/05/54/538900554.db2.gz XFCNEQANKORRCX-NSHDSACASA-N 3 2 211.353 0.894 10 0 BCAELP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C ZINC000685955284 538900555 /nfs/dbraw/zinc/90/05/55/538900555.db2.gz XFCNEQANKORRCX-NSHDSACASA-N 3 2 211.353 0.894 10 0 BCAELP O=C(NCCCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000062116672 349438262 /nfs/dbraw/zinc/43/82/62/349438262.db2.gz GWOUDROUSFJFEB-LLVKDONJSA-N 2 2 236.319 0.389 10 0 BCAELP COc1cc[nH+]cc1Cn1c[nH+]c(N)c1 ZINC000685964310 538910971 /nfs/dbraw/zinc/91/09/71/538910971.db2.gz WIBGPOOXNPASPW-UHFFFAOYSA-N 2 2 204.233 0.917 10 0 BCAELP CC[NH+](CC)C[C@@H](O)Cn1c[nH+]c(N)c1 ZINC000685964215 538911228 /nfs/dbraw/zinc/91/12/28/538911228.db2.gz PGWGQJXRNXVEQH-SECBINFHSA-N 2 2 212.297 0.168 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000616612101 349477520 /nfs/dbraw/zinc/47/75/20/349477520.db2.gz MBJIXKDQBHMFSE-JTQLQIEISA-N 2 2 206.293 0.527 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](Nc2ccccn2)C1 ZINC000616612101 349477522 /nfs/dbraw/zinc/47/75/22/349477522.db2.gz MBJIXKDQBHMFSE-JTQLQIEISA-N 2 2 206.293 0.527 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]([NH3+])C(C)C ZINC000380208432 398191395 /nfs/dbraw/zinc/19/13/95/398191395.db2.gz GSSRCAHUPRCAOP-VIFPVBQESA-N 2 2 224.308 0.708 10 0 BCAELP C[C@H]1CC[N@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000082643444 136221942 /nfs/dbraw/zinc/22/19/42/136221942.db2.gz QQRGZZUQSFSFNM-RYUDHWBXSA-N 2 2 222.336 0.942 10 0 BCAELP C[C@H]1CC[N@@H+](CCn2cccn2)[C@H](C[NH3+])C1 ZINC000082643444 136221943 /nfs/dbraw/zinc/22/19/43/136221943.db2.gz QQRGZZUQSFSFNM-RYUDHWBXSA-N 2 2 222.336 0.942 10 0 BCAELP Nc1cc[nH+]cc1C(=O)N1CCn2cc[nH+]c2C1 ZINC000127685087 398222436 /nfs/dbraw/zinc/22/24/36/398222436.db2.gz XWAZAVTXLRKKBR-UHFFFAOYSA-N 2 2 243.270 0.516 10 0 BCAELP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C[NH3+])no1 ZINC000381748142 398270638 /nfs/dbraw/zinc/27/06/38/398270638.db2.gz QKMLCGAVTWGKKJ-OCAPTIKFSA-N 2 2 210.281 0.901 10 0 BCAELP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C[NH3+])no1 ZINC000381748142 398270639 /nfs/dbraw/zinc/27/06/39/398270639.db2.gz QKMLCGAVTWGKKJ-OCAPTIKFSA-N 2 2 210.281 0.901 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616612986 349593992 /nfs/dbraw/zinc/59/39/92/349593992.db2.gz UQVNFUBYNRKTLC-ZDUSSCGKSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc(CO)cc2)C1 ZINC000616612986 349593994 /nfs/dbraw/zinc/59/39/94/349593994.db2.gz UQVNFUBYNRKTLC-ZDUSSCGKSA-N 2 2 220.316 0.927 10 0 BCAELP CC[N@@H+]1CCO[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000134510078 342860054 /nfs/dbraw/zinc/86/00/54/342860054.db2.gz HWDMQBVGGWUSMH-NSHDSACASA-N 2 2 236.319 0.918 10 0 BCAELP CC[N@H+]1CCO[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000134510078 342860056 /nfs/dbraw/zinc/86/00/56/342860056.db2.gz HWDMQBVGGWUSMH-NSHDSACASA-N 2 2 236.319 0.918 10 0 BCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCC(N)=O ZINC000049555516 343111842 /nfs/dbraw/zinc/11/18/42/343111842.db2.gz VJUNFLORZZQEKO-SNVBAGLBSA-N 2 2 215.341 0.428 10 0 BCAELP Nc1cccc([C@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000616621942 343524984 /nfs/dbraw/zinc/52/49/84/343524984.db2.gz VXHPUQDERQHUAS-JTQLQIEISA-N 2 2 220.320 0.802 10 0 BCAELP Nc1cccc([C@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000616621942 343524986 /nfs/dbraw/zinc/52/49/86/343524986.db2.gz VXHPUQDERQHUAS-JTQLQIEISA-N 2 2 220.320 0.802 10 0 BCAELP [NH3+]C[C@H]([NH3+])c1cncc(Br)c1 ZINC000044472338 343502325 /nfs/dbraw/zinc/50/23/25/343502325.db2.gz VUPRUYVZXASVSV-ZETCQYMHSA-N 2 2 216.082 0.803 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000379973054 365770336 /nfs/dbraw/zinc/77/03/36/365770336.db2.gz ODQRFZKQUBXMNJ-JTQLQIEISA-N 2 2 236.319 0.724 10 0 BCAELP COCC[NH+](CCOC)[C@H]1CCCC[C@H]1[NH3+] ZINC000042442598 187266018 /nfs/dbraw/zinc/26/60/18/187266018.db2.gz PQDSBCPKDFMTAX-NEPJUHHUSA-N 2 2 230.352 0.851 10 0 BCAELP CC(=O)N(C)CC1CC[NH+](CC[NH3+])CC1 ZINC000091352089 187286988 /nfs/dbraw/zinc/28/69/88/187286988.db2.gz IZEGAWYJQFJSAY-UHFFFAOYSA-N 2 2 213.325 0.135 10 0 BCAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C1CC1)OCCO2 ZINC000043822791 344257621 /nfs/dbraw/zinc/25/76/21/344257621.db2.gz ZQFVRGNIQXCWBB-VXGBXAGGSA-N 2 2 240.347 0.964 10 0 BCAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CC1)OCCO2 ZINC000043822791 344257622 /nfs/dbraw/zinc/25/76/22/344257622.db2.gz ZQFVRGNIQXCWBB-VXGBXAGGSA-N 2 2 240.347 0.964 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600885770 344388337 /nfs/dbraw/zinc/38/83/37/344388337.db2.gz NSPBHIRYOFVTTM-PWSUYJOCSA-N 2 2 244.335 0.378 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600885770 344388339 /nfs/dbraw/zinc/38/83/39/344388339.db2.gz NSPBHIRYOFVTTM-PWSUYJOCSA-N 2 2 244.335 0.378 10 0 BCAELP CCc1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)nc(C)[nH+]1 ZINC000634810698 344395384 /nfs/dbraw/zinc/39/53/84/344395384.db2.gz FZESMYFFQIPVTH-NWDGAFQWSA-N 2 2 248.330 0.524 10 0 BCAELP Cn1cc[nH+]c1CN1CCCC[C@H]1C[NH3+] ZINC000044558650 344543363 /nfs/dbraw/zinc/54/33/63/344543363.db2.gz XJFXIVLCCZCQFX-JTQLQIEISA-N 2 2 208.309 0.733 10 0 BCAELP CSC[C@@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000400009845 344748388 /nfs/dbraw/zinc/74/83/88/344748388.db2.gz VCSVBWNVXFKKAN-QMMMGPOBSA-N 2 2 242.348 0.856 10 0 BCAELP CSC[C@@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000400009845 344748389 /nfs/dbraw/zinc/74/83/89/344748389.db2.gz VCSVBWNVXFKKAN-QMMMGPOBSA-N 2 2 242.348 0.856 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000153144696 344762973 /nfs/dbraw/zinc/76/29/73/344762973.db2.gz LBYUZEWYHBLXRQ-GHMZBOCLSA-N 2 2 234.303 0.304 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000153144696 344762974 /nfs/dbraw/zinc/76/29/74/344762974.db2.gz LBYUZEWYHBLXRQ-GHMZBOCLSA-N 2 2 234.303 0.304 10 0 BCAELP CCOC(=O)[C@@H]([NH3+])Cn1cc(C)[nH+]c1C ZINC000715070811 537859145 /nfs/dbraw/zinc/85/91/45/537859145.db2.gz OEIMKHTXYWFWGL-VIFPVBQESA-N 2 2 211.265 0.390 10 0 BCAELP COC(=O)[C@H]([NH3+])CCn1cc(C)[nH+]c1C ZINC000715150454 537865190 /nfs/dbraw/zinc/86/51/90/537865190.db2.gz FZYYWCWCCNGNLH-SECBINFHSA-N 2 2 211.265 0.390 10 0 BCAELP COC(=O)[C@@H]([NH3+])CCn1cc(C)[nH+]c1C ZINC000715150456 537865848 /nfs/dbraw/zinc/86/58/48/537865848.db2.gz FZYYWCWCCNGNLH-VIFPVBQESA-N 2 2 211.265 0.390 10 0 BCAELP CCc1[nH+]ccn1-c1ccc(C[NH3+])nn1 ZINC000051517907 187299069 /nfs/dbraw/zinc/29/90/69/187299069.db2.gz LNFCERQFXYJHLJ-UHFFFAOYSA-N 2 2 203.249 0.683 10 0 BCAELP [NH3+]C[C@H]([NH3+])c1ccnc(Br)c1 ZINC000044472886 345090535 /nfs/dbraw/zinc/09/05/35/345090535.db2.gz QUIYLMIFVJCVKI-LURJTMIESA-N 2 2 216.082 0.803 10 0 BCAELP CCn1ccnc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077784 537895535 /nfs/dbraw/zinc/89/55/35/537895535.db2.gz IRYURIPPSQGSLN-JTQLQIEISA-N 2 2 206.293 0.302 10 0 BCAELP CCn1cc[nH+]c1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077784 537895539 /nfs/dbraw/zinc/89/55/39/537895539.db2.gz IRYURIPPSQGSLN-JTQLQIEISA-N 3 2 206.293 0.302 10 0 BCAELP C[C@@H]1CN(c2ccc(N)[nH+]c2)C[C@H](C)[NH2+]1 ZINC000142508029 345863397 /nfs/dbraw/zinc/86/33/97/345863397.db2.gz UXPVYPKUBZTKIP-DTORHVGOSA-N 2 2 206.293 0.850 10 0 BCAELP CC(C)C[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254595 187362129 /nfs/dbraw/zinc/36/21/29/187362129.db2.gz PUFAWJOANPHLQL-JTQLQIEISA-N 2 2 236.319 0.599 10 0 BCAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000147822739 537953925 /nfs/dbraw/zinc/95/39/25/537953925.db2.gz WBYKRESBRFTKBV-NWDGAFQWSA-N 2 2 206.289 0.581 10 0 BCAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000147822739 537953934 /nfs/dbraw/zinc/95/39/34/537953934.db2.gz WBYKRESBRFTKBV-NWDGAFQWSA-N 2 2 206.289 0.581 10 0 BCAELP [NH3+]C[C@@H]1C[NH2+]C[C@@H](C[NH+]2CCCCC2)C1 ZINC000669378980 537974924 /nfs/dbraw/zinc/97/49/24/537974924.db2.gz RHBLLMKHJWMGHP-NEPJUHHUSA-N 3 2 211.353 0.657 10 0 BCAELP Cc1cc([NH3+])ccc1N[C@H]1C[NH2+]C[C@@H]1O ZINC000206325017 346745198 /nfs/dbraw/zinc/74/51/98/346745198.db2.gz GZRYKLNSRFNOMH-QWRGUYRKSA-N 2 2 207.277 0.322 10 0 BCAELP COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000641819026 362771135 /nfs/dbraw/zinc/77/11/35/362771135.db2.gz GIPOZVRMXDPEJU-IUCAKERBSA-N 2 2 225.292 0.710 10 0 BCAELP COc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000641819026 362771140 /nfs/dbraw/zinc/77/11/40/362771140.db2.gz GIPOZVRMXDPEJU-IUCAKERBSA-N 2 2 225.292 0.710 10 0 BCAELP CCOC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327329 347211714 /nfs/dbraw/zinc/21/17/14/347211714.db2.gz 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/nfs/dbraw/zinc/26/78/80/349267880.db2.gz NTRHKKQPLQGUFK-JTQLQIEISA-N 2 2 216.325 0.068 10 0 BCAELP Cn1c(C[NH+](C)C)nc2c1[C@@H]([NH3+])CCC2 ZINC000725253754 538039242 /nfs/dbraw/zinc/03/92/42/538039242.db2.gz XEMJKHHWURXNKH-QMMMGPOBSA-N 2 2 208.309 0.818 10 0 BCAELP [NH3+]Cc1cc(N2CCC3(C2)OCCO3)cc[nH+]1 ZINC000307177958 538045366 /nfs/dbraw/zinc/04/53/66/538045366.db2.gz XZNOEHSGVBIRET-UHFFFAOYSA-N 2 2 235.287 0.494 10 0 BCAELP Cn1c[nH+]cc1[C@H]1[C@@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166894 191001419 /nfs/dbraw/zinc/00/14/19/191001419.db2.gz UIRUZPCIRDZFOC-JOYOIKCWSA-N 2 2 234.303 0.573 10 0 BCAELP Cn1c[nH+]cc1[C@H]1[C@H]([NH3+])CCC(=O)N1C1CC1 ZINC000090166890 191001447 /nfs/dbraw/zinc/00/14/47/191001447.db2.gz UIRUZPCIRDZFOC-BXKDBHETSA-N 2 2 234.303 0.573 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071276160 350096003 /nfs/dbraw/zinc/09/60/03/350096003.db2.gz JZGZNUWAQMVUHM-JTQLQIEISA-N 2 2 236.319 0.426 10 0 BCAELP Cc1nc2sccn2c1C[NH2+]CC[NH3+] ZINC000037712881 180117772 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/nfs/dbraw/zinc/78/22/19/350782219.db2.gz PHJDGJMESOZYLK-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2nnc[nH]2)C1 ZINC000616604851 350793194 /nfs/dbraw/zinc/79/31/94/350793194.db2.gz QYAQXPYKTCTVER-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](c2nnc[nH]2)C1 ZINC000616604851 350793196 /nfs/dbraw/zinc/79/31/96/350793196.db2.gz QYAQXPYKTCTVER-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP OCC[N@@H+]1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616604882 350793347 /nfs/dbraw/zinc/79/33/47/350793347.db2.gz SHBOVATWRBCGNT-JTQLQIEISA-N 2 2 209.293 0.972 10 0 BCAELP OCC[N@H+]1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616604882 350793348 /nfs/dbraw/zinc/79/33/48/350793348.db2.gz SHBOVATWRBCGNT-JTQLQIEISA-N 2 2 209.293 0.972 10 0 BCAELP C[C@@H]1C[C@@H](C)C[NH+](CC[C@@H]([NH3+])C(N)=O)C1 ZINC000218546576 538099753 /nfs/dbraw/zinc/09/97/53/538099753.db2.gz NBPFSJLQCZKQHD-OPRDCNLKSA-N 2 2 213.325 0.167 10 0 BCAELP C[NH2+][C@H]1CC[N@@H+](C2CCC3(CC2)OCCO3)C1 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ZINC000262363046 135296841 /nfs/dbraw/zinc/29/68/41/135296841.db2.gz VUNDWJXFPAPMJP-JTQLQIEISA-N 2 2 248.286 0.555 10 0 BCAELP Cc1ncc(C[NH+]2CCN(CC[NH3+])CC2)s1 ZINC000262958911 135324727 /nfs/dbraw/zinc/32/47/27/135324727.db2.gz KNRFJCNYTBVRPC-UHFFFAOYSA-N 2 2 240.376 0.528 10 0 BCAELP O=C(NCCc1cn2ccccc2[nH+]1)C1C[NH2+]C1 ZINC000263277334 135344614 /nfs/dbraw/zinc/34/46/14/135344614.db2.gz JBDYIDJGEAQETJ-UHFFFAOYSA-N 2 2 244.298 0.212 10 0 BCAELP CN(CC[NH3+])c1[nH+]c2ccccc2n1C ZINC000079048131 135396589 /nfs/dbraw/zinc/39/65/89/135396589.db2.gz RSSVGNIUNZMBMV-UHFFFAOYSA-N 2 2 204.277 0.968 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089092138 135528236 /nfs/dbraw/zinc/52/82/36/135528236.db2.gz LGWIEUUHYDHDEL-PSASIEDQSA-N 2 2 246.318 0.903 10 0 BCAELP C[C@H]1CCSCC[N@@H+]1[C@H](C[NH3+])CO ZINC000306636894 397970619 /nfs/dbraw/zinc/97/06/19/397970619.db2.gz MAQUOQWIJQFKPF-DTWKUNHWSA-N 2 2 204.339 0.133 10 0 BCAELP C[C@H]1CCSCC[N@H+]1[C@H](C[NH3+])CO ZINC000306636894 397970621 /nfs/dbraw/zinc/97/06/21/397970621.db2.gz MAQUOQWIJQFKPF-DTWKUNHWSA-N 2 2 204.339 0.133 10 0 BCAELP C[C@@H]1C[C@@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000401505814 533674708 /nfs/dbraw/zinc/67/47/08/533674708.db2.gz RXWMEIAYNAQIIU-VXGBXAGGSA-N 2 2 223.320 0.976 10 0 BCAELP C[C@@H]1C[C@@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000401505814 533674715 /nfs/dbraw/zinc/67/47/15/533674715.db2.gz RXWMEIAYNAQIIU-VXGBXAGGSA-N 2 2 223.320 0.976 10 0 BCAELP CC(C)NC(=O)CN(C)c1cc[nH+]c(C[NH3+])c1 ZINC000061811712 167047800 /nfs/dbraw/zinc/04/78/00/167047800.db2.gz WLGHNNWSYHSIRV-UHFFFAOYSA-N 2 2 236.319 0.501 10 0 BCAELP C[NH2+]C(C)(C)C(=O)OC1CC[NH+](C)CC1 ZINC000061172170 173319398 /nfs/dbraw/zinc/31/93/98/173319398.db2.gz IEQHNAMQLXPXHP-UHFFFAOYSA-N 2 2 214.309 0.622 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000226540852 167317435 /nfs/dbraw/zinc/31/74/35/167317435.db2.gz WEZUHLASTJCYOB-MNOVXSKESA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000226540852 167317438 /nfs/dbraw/zinc/31/74/38/167317438.db2.gz WEZUHLASTJCYOB-MNOVXSKESA-N 2 2 248.392 0.479 10 0 BCAELP c1ccc2[nH+]c(NC[C@H]3COCC[NH2+]3)[nH]c2c1 ZINC000232556243 487606269 /nfs/dbraw/zinc/60/62/69/487606269.db2.gz NTYDTFXMVAMAGR-VIFPVBQESA-N 2 2 232.287 0.963 10 0 BCAELP C[C@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCC[NH2+]C1 ZINC000650759126 410407794 /nfs/dbraw/zinc/40/77/94/410407794.db2.gz DOCQETBPUBGNKS-VHSXEESVSA-N 2 2 223.324 0.293 10 0 BCAELP C[C@H](CO)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000395339007 410847441 /nfs/dbraw/zinc/84/74/41/410847441.db2.gz YLLLICCWQHXXSD-VWYCJHECSA-N 2 2 200.326 0.687 10 0 BCAELP C[C@H](CO)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000395339007 410847448 /nfs/dbraw/zinc/84/74/48/410847448.db2.gz YLLLICCWQHXXSD-VWYCJHECSA-N 2 2 200.326 0.687 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NCCC1(C[NH3+])CC1 ZINC000395872138 410865883 /nfs/dbraw/zinc/86/58/83/410865883.db2.gz KIYKONKBIUFJJR-UHFFFAOYSA-N 2 2 246.318 0.904 10 0 BCAELP CC(C)C[NH2+]C1(C(N)=O)CC[NH+](C)CC1 ZINC000037946239 167002971 /nfs/dbraw/zinc/00/29/71/167002971.db2.gz VFFZEPBRSFDCNS-UHFFFAOYSA-N 2 2 213.325 0.182 10 0 BCAELP CC(C)NC(=O)CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000054048861 167039608 /nfs/dbraw/zinc/03/96/08/167039608.db2.gz HRXXSANSEFFUND-JTQLQIEISA-N 2 2 213.325 0.324 10 0 BCAELP CC(C)NC(=O)CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000054048861 167039612 /nfs/dbraw/zinc/03/96/12/167039612.db2.gz HRXXSANSEFFUND-JTQLQIEISA-N 2 2 213.325 0.324 10 0 BCAELP CC(C)NC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037810 167069482 /nfs/dbraw/zinc/06/94/82/167069482.db2.gz QEWVVNMLXPVJAB-UHFFFAOYSA-N 2 2 228.340 0.071 10 0 BCAELP CC(C)[NH2+]CC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254828 167097698 /nfs/dbraw/zinc/09/76/98/167097698.db2.gz IZOYBXGZGGWTOB-UHFFFAOYSA-N 2 2 222.292 0.223 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCc1c[nH+]c[nH]1 ZINC000129113875 411230110 /nfs/dbraw/zinc/23/01/10/411230110.db2.gz AJNVCMGDZSKCLU-VIFPVBQESA-N 2 2 210.281 0.399 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCc1c[nH]c[nH+]1 ZINC000129113875 411230113 /nfs/dbraw/zinc/23/01/13/411230113.db2.gz AJNVCMGDZSKCLU-VIFPVBQESA-N 2 2 210.281 0.399 10 0 BCAELP Nc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cn1 ZINC000616607662 411287803 /nfs/dbraw/zinc/28/78/03/411287803.db2.gz KUYQRNLIMAUYGA-SNVBAGLBSA-N 2 2 206.293 0.759 10 0 BCAELP Nc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cn1 ZINC000616607662 411287805 /nfs/dbraw/zinc/28/78/05/411287805.db2.gz KUYQRNLIMAUYGA-SNVBAGLBSA-N 2 2 206.293 0.759 10 0 BCAELP CCC(C)(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020036123 168298257 /nfs/dbraw/zinc/29/82/57/168298257.db2.gz AUXDUTROZVACBE-UHFFFAOYSA-N 2 2 227.352 0.539 10 0 BCAELP CCO[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C[NH3+] ZINC000405527666 411433431 /nfs/dbraw/zinc/43/34/31/411433431.db2.gz LJQBQLFMBRALKD-GHMZBOCLSA-N 2 2 221.304 0.882 10 0 BCAELP CC[NH2+]C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000037537028 170108427 /nfs/dbraw/zinc/10/84/27/170108427.db2.gz NTLMJESYSKUOPO-UHFFFAOYSA-N 2 2 240.351 0.086 10 0 BCAELP CC[NH2+]C1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000037869495 170108862 /nfs/dbraw/zinc/10/88/62/170108862.db2.gz SGRAPYUEDYMEGH-UHFFFAOYSA-N 2 2 213.325 0.324 10 0 BCAELP CC[NH2+]CC[N@@H+]1CCCC[C@H]1CCO ZINC000042409295 170113812 /nfs/dbraw/zinc/11/38/12/170113812.db2.gz AIGCCNXNDGHDAE-NSHDSACASA-N 2 2 200.326 0.833 10 0 BCAELP CC[NH2+]CC[N@H+]1CCCC[C@H]1CCO ZINC000042409295 170113813 /nfs/dbraw/zinc/11/38/13/170113813.db2.gz AIGCCNXNDGHDAE-NSHDSACASA-N 2 2 200.326 0.833 10 0 BCAELP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000104417298 170141358 /nfs/dbraw/zinc/14/13/58/170141358.db2.gz ZTQZGJDIVDNJAI-NWDGAFQWSA-N 2 2 241.379 0.785 10 0 BCAELP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000104417298 170141360 /nfs/dbraw/zinc/14/13/60/170141360.db2.gz ZTQZGJDIVDNJAI-NWDGAFQWSA-N 2 2 241.379 0.785 10 0 BCAELP CC[NH2+][C@H](C)[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000104417306 170158917 /nfs/dbraw/zinc/15/89/17/170158917.db2.gz ZTQZGJDIVDNJAI-NEPJUHHUSA-N 2 2 241.379 0.785 10 0 BCAELP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000104417306 170158919 /nfs/dbraw/zinc/15/89/19/170158919.db2.gz ZTQZGJDIVDNJAI-NEPJUHHUSA-N 2 2 241.379 0.785 10 0 BCAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[NH+](C)C)OCCO2 ZINC000043816101 170165895 /nfs/dbraw/zinc/16/58/95/170165895.db2.gz KMZDAHAGUNFWIN-QWRGUYRKSA-N 2 2 228.336 0.822 10 0 BCAELP Cc1cc(NCC2([NH3+])CCOCC2)nc[nH+]1 ZINC000630524390 411645000 /nfs/dbraw/zinc/64/50/00/411645000.db2.gz NNQHUFWRCJMUPY-UHFFFAOYSA-N 2 2 222.292 0.705 10 0 BCAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)n1C ZINC000657696280 411581045 /nfs/dbraw/zinc/58/10/45/411581045.db2.gz GWOJKVUJROFCLV-JTQLQIEISA-N 2 2 236.319 0.296 10 0 BCAELP CN(C)c1[nH+]cc(C[NH2+]C2CC(CO)C2)n1C ZINC000657810315 411602564 /nfs/dbraw/zinc/60/25/64/411602564.db2.gz ANOCOPDSTKLESX-UHFFFAOYSA-N 2 2 238.335 0.347 10 0 BCAELP C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C[N@@H+]1C1CC1 ZINC000657813145 411604384 /nfs/dbraw/zinc/60/43/84/411604384.db2.gz RGRYAMOYZRPHGJ-WNYYMSAVSA-N 2 2 224.348 0.972 10 0 BCAELP C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)C[N@H+]1C1CC1 ZINC000657813145 411604385 /nfs/dbraw/zinc/60/43/85/411604385.db2.gz RGRYAMOYZRPHGJ-WNYYMSAVSA-N 2 2 224.348 0.972 10 0 BCAELP CC[N@@H+]1CCC[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000383806656 411857215 /nfs/dbraw/zinc/85/72/15/411857215.db2.gz OVWLOYNBVUZXEU-VIFPVBQESA-N 2 2 236.323 0.658 10 0 BCAELP CC[N@H+]1CCC[C@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000383806656 411857219 /nfs/dbraw/zinc/85/72/19/411857219.db2.gz OVWLOYNBVUZXEU-VIFPVBQESA-N 2 2 236.323 0.658 10 0 BCAELP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000662266364 412059005 /nfs/dbraw/zinc/05/90/05/412059005.db2.gz WTJIJOBMMRYPKJ-SFYZADRCSA-N 2 2 206.236 0.362 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662244700 412042087 /nfs/dbraw/zinc/04/20/87/412042087.db2.gz JTASGPQKCJQDIY-IUCAKERBSA-N 2 2 220.263 0.834 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000662244700 412042088 /nfs/dbraw/zinc/04/20/88/412042088.db2.gz JTASGPQKCJQDIY-IUCAKERBSA-N 2 2 220.263 0.834 10 0 BCAELP CC[C@H](C)[C@@H](C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000041050122 171357651 /nfs/dbraw/zinc/35/76/51/171357651.db2.gz CKOVZYLPOMOHPP-UWVGGRQHSA-N 2 2 213.325 0.182 10 0 BCAELP CC[C@H](C)[C@@H](C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000041050122 171357653 /nfs/dbraw/zinc/35/76/53/171357653.db2.gz CKOVZYLPOMOHPP-UWVGGRQHSA-N 2 2 213.325 0.182 10 0 BCAELP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[NH2+]C1)OC ZINC000362975590 171393532 /nfs/dbraw/zinc/39/35/32/171393532.db2.gz GIRBFQDQFOYOBR-AXFHLTTASA-N 2 2 200.326 0.999 10 0 BCAELP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[NH2+]C1)OC ZINC000362975591 171393541 /nfs/dbraw/zinc/39/35/41/171393541.db2.gz GIRBFQDQFOYOBR-DCAQKATOSA-N 2 2 200.326 0.999 10 0 BCAELP CN1CCC[N@H+](Cc2cc(C[NH3+])co2)CC1 ZINC000052424283 173017653 /nfs/dbraw/zinc/01/76/53/173017653.db2.gz KUHPCRIWKHHMAV-UHFFFAOYSA-N 2 2 223.320 0.876 10 0 BCAELP CN1CCC[N@@H+](Cc2cc(C[NH3+])co2)CC1 ZINC000052424283 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C[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)C[N@H+]1C1CC1 ZINC000229935152 323158188 /nfs/dbraw/zinc/15/81/88/323158188.db2.gz RZDIIZNMEDFFCB-YLXHPXFOSA-N 2 2 224.348 0.972 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000393000355 488058697 /nfs/dbraw/zinc/05/86/97/488058697.db2.gz SJNRBQNVHAEARF-AXFHLTTASA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000393000355 488058699 /nfs/dbraw/zinc/05/86/99/488058699.db2.gz SJNRBQNVHAEARF-AXFHLTTASA-N 2 2 225.336 0.337 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000136309440 488094075 /nfs/dbraw/zinc/09/40/75/488094075.db2.gz BSEJAFULAOZMEQ-LLVKDONJSA-N 2 2 238.335 0.763 10 0 BCAELP [NH3+][C@H]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000085014120 488122221 /nfs/dbraw/zinc/12/22/21/488122221.db2.gz UHEHQGIURSJMTB-YUMQZZPRSA-N 2 2 208.265 0.153 10 0 BCAELP [NH3+][C@H]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000085014120 488122227 /nfs/dbraw/zinc/12/22/27/488122227.db2.gz UHEHQGIURSJMTB-YUMQZZPRSA-N 2 2 208.265 0.153 10 0 BCAELP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085870 487512754 /nfs/dbraw/zinc/51/27/54/487512754.db2.gz KVYHZGXDHGFTEJ-PSASIEDQSA-N 2 2 246.314 0.869 10 0 BCAELP COc1cc[nH+]c(Cn2cc(C[NH3+])nn2)c1OC ZINC000232198827 487521775 /nfs/dbraw/zinc/52/17/75/487521775.db2.gz BIIQVLPRJCCXMA-UHFFFAOYSA-N 2 2 249.274 0.197 10 0 BCAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000085374781 488164613 /nfs/dbraw/zinc/16/46/13/488164613.db2.gz JYKVDAZRXOWCEY-VHSXEESVSA-N 2 2 234.303 0.353 10 0 BCAELP CC[NH+](CC)CCNCc1[nH+]ccn1C ZINC000022861879 520686951 /nfs/dbraw/zinc/68/69/51/520686951.db2.gz GWFVHVLTECYQTL-UHFFFAOYSA-N 2 2 210.325 0.852 10 0 BCAELP C[NH2+]C[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000259299468 582821122 /nfs/dbraw/zinc/82/11/22/582821122.db2.gz KAQKFZBDVBVZQC-JTQLQIEISA-N 2 2 210.277 0.923 10 0 BCAELP CNC(=O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037253942 536490874 /nfs/dbraw/zinc/49/08/74/536490874.db2.gz DXQFKWIPVOOMNM-UHFFFAOYSA-N 2 2 248.330 0.386 10 0 BCAELP [NH3+]Cc1nc([C@H]([NH3+])c2ccc(F)cc2F)no1 ZINC000095532974 527266486 /nfs/dbraw/zinc/26/64/86/527266486.db2.gz ZOADVSCGDJQKLS-SECBINFHSA-N 2 2 240.213 0.855 10 0 BCAELP CCN(CC)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261554607 535435325 /nfs/dbraw/zinc/43/53/25/535435325.db2.gz PBPWCUOTAYTCKS-LLVKDONJSA-N 2 2 241.379 0.914 10 0 BCAELP CCN(CC)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261554607 535435329 /nfs/dbraw/zinc/43/53/29/535435329.db2.gz PBPWCUOTAYTCKS-LLVKDONJSA-N 2 2 241.379 0.914 10 0 BCAELP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261588231 535628850 /nfs/dbraw/zinc/62/88/50/535628850.db2.gz SEVVUFCNTLAJFR-AXFHLTTASA-N 2 2 246.376 0.090 10 0 BCAELP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261588231 535628856 /nfs/dbraw/zinc/62/88/56/535628856.db2.gz SEVVUFCNTLAJFR-AXFHLTTASA-N 2 2 246.376 0.090 10 0 BCAELP CC1(C)C[C@@H]([N@@H+]2CC[C@H]2C(N)=O)CC[NH2+]1 ZINC000757163248 582544810 /nfs/dbraw/zinc/54/48/10/582544810.db2.gz ZAZZPTUXLAJCNF-IUCAKERBSA-N 2 2 211.309 0.077 10 0 BCAELP CC1(C)C[C@@H]([N@H+]2CC[C@H]2C(N)=O)CC[NH2+]1 ZINC000757163248 582544813 /nfs/dbraw/zinc/54/48/13/582544813.db2.gz ZAZZPTUXLAJCNF-IUCAKERBSA-N 2 2 211.309 0.077 10 0 BCAELP CCC[NH2+][C@@](C)(Cn1cc[nH+]c1)C(N)=O ZINC000045432225 582877931 /nfs/dbraw/zinc/87/79/31/582877931.db2.gz FJNCUVJAYOIABU-JTQLQIEISA-N 2 2 210.281 0.127 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000395114186 583042728 /nfs/dbraw/zinc/04/27/28/583042728.db2.gz KHSHUOGPZYQNAX-UPJWGTAASA-N 2 2 242.363 0.600 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000395114186 583042731 /nfs/dbraw/zinc/04/27/31/583042731.db2.gz KHSHUOGPZYQNAX-UPJWGTAASA-N 2 2 242.363 0.600 10 0 BCAELP C1CC1[NH+]1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757153067 586429324 /nfs/dbraw/zinc/42/93/24/586429324.db2.gz WINNWIRDZIKUGT-UHFFFAOYSA-N 3 2 237.347 0.293 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+]1CCCO[C@@H]1CCOC1 ZINC000757152120 586429742 /nfs/dbraw/zinc/42/97/42/586429742.db2.gz YVHILPJBOWYKML-GHMZBOCLSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+]1CCCO[C@@H]1CCOC1 ZINC000757152120 586429744 /nfs/dbraw/zinc/42/97/44/586429744.db2.gz YVHILPJBOWYKML-GHMZBOCLSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]Cc1cccc([C@@H]2CC[C@H]([NH3+])C[NH2+]2)c1 ZINC000757218152 586441541 /nfs/dbraw/zinc/44/15/41/586441541.db2.gz UDAGKQHMWFUCNX-RYUDHWBXSA-N 3 2 205.305 0.897 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000757227135 586442694 /nfs/dbraw/zinc/44/26/94/586442694.db2.gz AWQHMMSGRMIVMH-INTQDDNPSA-N 2 2 208.309 0.901 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000757227133 586442741 /nfs/dbraw/zinc/44/27/41/586442741.db2.gz AWQHMMSGRMIVMH-DVVUODLYSA-N 2 2 208.309 0.901 10 0 BCAELP NC(=O)C[C@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000211512126 591179512 /nfs/dbraw/zinc/17/95/12/591179512.db2.gz JVSAROBXPSFJKU-CYBMUJFWSA-N 2 2 233.315 0.465 10 0 BCAELP NC(=O)C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000211512126 591179515 /nfs/dbraw/zinc/17/95/15/591179515.db2.gz JVSAROBXPSFJKU-CYBMUJFWSA-N 2 2 233.315 0.465 10 0 BCAELP C[C@H]1[N@H+](Cc2ccccc2)CC[C@]1([NH3+])CC(N)=O ZINC000211633967 591208757 /nfs/dbraw/zinc/20/87/57/591208757.db2.gz YUUOWUSRZOHSIA-RISCZKNCSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1([NH3+])CC(N)=O ZINC000211633967 591208759 /nfs/dbraw/zinc/20/87/59/591208759.db2.gz YUUOWUSRZOHSIA-RISCZKNCSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@H]1C[C@]([NH3+])(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633567 591209205 /nfs/dbraw/zinc/20/92/05/591209205.db2.gz RAZYONAFKOBSBO-FZMZJTMJSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@H]1C[C@]([NH3+])(CC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000211633567 591209209 /nfs/dbraw/zinc/20/92/09/591209209.db2.gz RAZYONAFKOBSBO-FZMZJTMJSA-N 2 2 247.342 0.854 10 0 BCAELP COCC[NH2+]CCNc1cc(C)[nH+]cn1 ZINC000216432126 592030614 /nfs/dbraw/zinc/03/06/14/592030614.db2.gz DUEGIKZOPLKLAE-UHFFFAOYSA-N 2 2 210.281 0.433 10 0 BCAELP [NH3+][C@H](CC(=O)N1CCn2cc[nH+]c2C1)C1CC1 ZINC000137396701 592175938 /nfs/dbraw/zinc/17/59/38/592175938.db2.gz BBPCBLPHZKKMGJ-SNVBAGLBSA-N 2 2 234.303 0.353 10 0 BCAELP C([C@H]1CCCO1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257733575 634486843 /nfs/dbraw/zinc/48/68/43/634486843.db2.gz XOAVPFNYHILTJY-NEPJUHHUSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@H]1CCCO1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257733575 634486853 /nfs/dbraw/zinc/48/68/53/634486853.db2.gz XOAVPFNYHILTJY-NEPJUHHUSA-N 2 2 210.321 0.993 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N1CC[C@@H](CC[NH3+])C1 ZINC000125500757 634520330 /nfs/dbraw/zinc/52/03/30/634520330.db2.gz XKVHBCYUIFJWMP-SECBINFHSA-N 2 2 246.318 0.538 10 0 BCAELP c1ccn2c(c1)nnc2CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000094074910 631574833 /nfs/dbraw/zinc/57/48/33/631574833.db2.gz SZMMBWKLBXVXSN-SNVBAGLBSA-N 2 2 231.303 0.223 10 0 BCAELP CN(C)c1cc(NC[C@@H]2CC[NH2+]C2)[nH+]cn1 ZINC000258669369 631576957 /nfs/dbraw/zinc/57/69/57/631576957.db2.gz OGMPXTOGOBCAGO-SECBINFHSA-N 2 2 221.308 0.564 10 0 BCAELP CN(C)c1cc(NC[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258669369 631576960 /nfs/dbraw/zinc/57/69/60/631576960.db2.gz OGMPXTOGOBCAGO-SECBINFHSA-N 2 2 221.308 0.564 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252129091 635707865 /nfs/dbraw/zinc/70/78/65/635707865.db2.gz KMQZFELZPCJJOS-JHJVBQTASA-N 2 2 244.379 0.832 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000252129091 635707868 /nfs/dbraw/zinc/70/78/68/635707868.db2.gz KMQZFELZPCJJOS-JHJVBQTASA-N 2 2 244.379 0.832 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000227910249 640853322 /nfs/dbraw/zinc/85/33/22/640853322.db2.gz GEAINDRUDGOEQR-CHWSQXEVSA-N 2 2 244.379 0.977 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000227910249 640853325 /nfs/dbraw/zinc/85/33/25/640853325.db2.gz GEAINDRUDGOEQR-CHWSQXEVSA-N 2 2 244.379 0.977 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000227911500 640853427 /nfs/dbraw/zinc/85/34/27/640853427.db2.gz FBLQTHQDJCLNIR-CHWSQXEVSA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000227911500 640853429 /nfs/dbraw/zinc/85/34/29/640853429.db2.gz FBLQTHQDJCLNIR-CHWSQXEVSA-N 2 2 244.379 0.848 10 0 BCAELP COC(=O)[C@H]([NH3+])CCn1c[nH+]c(C)c1C ZINC000062538721 641058585 /nfs/dbraw/zinc/05/85/85/641058585.db2.gz SUDJUJJWCVJEKX-SECBINFHSA-N 2 2 211.265 0.390 10 0 BCAELP CCOC(=O)[C@H]([NH3+])CCn1cc[nH+]c1CC ZINC000062537410 641058882 /nfs/dbraw/zinc/05/88/82/641058882.db2.gz BKYSNLYAEVGVKT-SECBINFHSA-N 2 2 225.292 0.726 10 0 BCAELP CCc1[nH+]ccn1CC[C@H]([NH2+]C)C(=O)OC ZINC000062537356 641060381 /nfs/dbraw/zinc/06/03/81/641060381.db2.gz NTXKRTMRXRAQEG-VIFPVBQESA-N 2 2 225.292 0.597 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232702815 641362830 /nfs/dbraw/zinc/36/28/30/641362830.db2.gz USRCAZSUFQWNRC-MXWKQRLJSA-N 2 2 216.325 0.051 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232702815 641362837 /nfs/dbraw/zinc/36/28/37/641362837.db2.gz USRCAZSUFQWNRC-MXWKQRLJSA-N 2 2 216.325 0.051 10 0 BCAELP CCOC(=O)[C@@]1([NH3+])CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626620 644156453 /nfs/dbraw/zinc/15/64/53/644156453.db2.gz QWSPGTLLRSYGDJ-MWLCHTKSSA-N 2 2 223.276 0.869 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252129094 644837361 /nfs/dbraw/zinc/83/73/61/644837361.db2.gz KMQZFELZPCJJOS-YNEHKIRRSA-N 2 2 244.379 0.832 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000252129094 644837363 /nfs/dbraw/zinc/83/73/63/644837363.db2.gz KMQZFELZPCJJOS-YNEHKIRRSA-N 2 2 244.379 0.832 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724558214 711590039 /nfs/dbraw/zinc/59/00/39/711590039.db2.gz NZONDGCGNUWXGM-RHYQMDGZSA-N 2 2 226.320 0.213 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724558214 711590041 /nfs/dbraw/zinc/59/00/41/711590041.db2.gz NZONDGCGNUWXGM-RHYQMDGZSA-N 2 2 226.320 0.213 10 0 BCAELP C[NH+](C)Cc1csc(CN[C@@H]2CC[NH2+]C2)n1 ZINC000722378681 710712554 /nfs/dbraw/zinc/71/25/54/710712554.db2.gz LYTZYVFMAZEZPD-SECBINFHSA-N 2 2 240.376 0.656 10 0 BCAELP C([C@H]1CCCO1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257680827 711726508 /nfs/dbraw/zinc/72/65/08/711726508.db2.gz KYTRJBOCNVUZID-NEPJUHHUSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@H]1CCCO1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257680827 711726509 /nfs/dbraw/zinc/72/65/09/711726509.db2.gz KYTRJBOCNVUZID-NEPJUHHUSA-N 2 2 210.321 0.993 10 0 BCAELP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1CC[C@H](C2CC2)O1 ZINC000722311407 711734307 /nfs/dbraw/zinc/73/43/07/711734307.db2.gz DAMZCVYKMYBAJU-QJPTWQEYSA-N 2 2 210.321 0.896 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702653145 712058424 /nfs/dbraw/zinc/05/84/24/712058424.db2.gz GGYORGGTIVBHBO-HBNTYKKESA-N 2 2 216.325 0.194 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000702653145 712058426 /nfs/dbraw/zinc/05/84/26/712058426.db2.gz GGYORGGTIVBHBO-HBNTYKKESA-N 2 2 216.325 0.194 10 0 BCAELP COCC1CC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000713962547 712475138 /nfs/dbraw/zinc/47/51/38/712475138.db2.gz YSIPAXXAVMQKBK-YWPUVAFDSA-N 2 2 242.363 0.768 10 0 BCAELP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cn(C)nn1 ZINC000720583966 712854649 /nfs/dbraw/zinc/85/46/49/712854649.db2.gz NVOQIBXMISMZCO-NXEZZACHSA-N 2 2 223.324 0.608 10 0 BCAELP CCCN1CC[C@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 ZINC000685953490 538897963 /nfs/dbraw/zinc/89/79/63/538897963.db2.gz HTVPHQJOTMNBKU-STQMWFEESA-N 2 2 223.364 0.894 10 0 BCAELP Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235329294 398139333 /nfs/dbraw/zinc/13/93/33/398139333.db2.gz PRCWMBQKJHCJSI-SCZZXKLOSA-N 2 2 221.304 0.875 10 0 BCAELP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000235329294 398139334 /nfs/dbraw/zinc/13/93/34/398139334.db2.gz PRCWMBQKJHCJSI-SCZZXKLOSA-N 2 2 221.304 0.875 10 0 BCAELP NC(=O)c1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616612341 349513491 /nfs/dbraw/zinc/51/34/91/349513491.db2.gz NLZFZPYGXJFWPG-LBPRGKRZSA-N 2 2 233.315 0.534 10 0 BCAELP NC(=O)c1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616612341 349513493 /nfs/dbraw/zinc/51/34/93/349513493.db2.gz NLZFZPYGXJFWPG-LBPRGKRZSA-N 2 2 233.315 0.534 10 0 BCAELP Cc1ccc(-n2cc[nH+]c2CC[NH3+])nn1 ZINC000052304656 178347658 /nfs/dbraw/zinc/34/76/58/178347658.db2.gz PSRZUNQGGVTJOE-UHFFFAOYSA-N 2 2 203.249 0.472 10 0 BCAELP Cc1nc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc[nH+]1 ZINC000083119033 349544401 /nfs/dbraw/zinc/54/44/01/349544401.db2.gz MVTRCBQXQPDSMT-IUCAKERBSA-N 2 2 206.293 0.972 10 0 BCAELP CC[N@H+]1C[C@H](NCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000380340403 538988933 /nfs/dbraw/zinc/98/89/33/538988933.db2.gz RKMLTQGYMIXLPF-UWVGGRQHSA-N 2 2 208.309 0.840 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534066 536630551 /nfs/dbraw/zinc/63/05/51/536630551.db2.gz LRQDWZAIWGOJML-IUCAKERBSA-N 2 2 214.309 0.607 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261534066 536630558 /nfs/dbraw/zinc/63/05/58/536630558.db2.gz LRQDWZAIWGOJML-IUCAKERBSA-N 2 2 214.309 0.607 10 0 BCAELP Cn1c[nH+]cc1[C@H]([NH3+])Cc1csnn1 ZINC000306665221 362022061 /nfs/dbraw/zinc/02/20/61/362022061.db2.gz SZIUMKJIXGOCMO-SSDOTTSWSA-N 2 2 209.278 0.514 10 0 BCAELP C[N@H+](CC(C)(C)[NH3+])C1CCS(=O)CC1 ZINC000306668496 362025219 /nfs/dbraw/zinc/02/52/19/362025219.db2.gz KGDRJCNUNRLNFH-UHFFFAOYSA-N 2 2 218.366 0.567 10 0 BCAELP C[N@@H+](CC(C)(C)[NH3+])C1CCS(=O)CC1 ZINC000306668496 362025224 /nfs/dbraw/zinc/02/52/24/362025224.db2.gz KGDRJCNUNRLNFH-UHFFFAOYSA-N 2 2 218.366 0.567 10 0 BCAELP CC(C)n1c[nH+]c(CN2CC[NH2+]CC2)c1 ZINC000107383660 343075666 /nfs/dbraw/zinc/07/56/66/343075666.db2.gz WQGZDQZQPCSAFZ-UHFFFAOYSA-N 2 2 208.309 0.869 10 0 BCAELP C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000026515128 343106434 /nfs/dbraw/zinc/10/64/34/343106434.db2.gz VJRRZVGILJFQGQ-NSHDSACASA-N 2 2 225.336 0.293 10 0 BCAELP C[C@@H](C(=O)N1CCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000026515128 343106436 /nfs/dbraw/zinc/10/64/36/343106436.db2.gz VJRRZVGILJFQGQ-NSHDSACASA-N 2 2 225.336 0.293 10 0 BCAELP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000245726260 136272375 /nfs/dbraw/zinc/27/23/75/136272375.db2.gz IUORZBYFERPDJU-MNOVXSKESA-N 2 2 238.335 0.297 10 0 BCAELP C[C@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000245726260 136272376 /nfs/dbraw/zinc/27/23/76/136272376.db2.gz IUORZBYFERPDJU-MNOVXSKESA-N 2 2 238.335 0.297 10 0 BCAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1CCO ZINC000616679324 343535824 /nfs/dbraw/zinc/53/58/24/343535824.db2.gz UBDQXQVEIPHGRS-ZDUSSCGKSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1CCO ZINC000616679324 343535826 /nfs/dbraw/zinc/53/58/26/343535826.db2.gz UBDQXQVEIPHGRS-ZDUSSCGKSA-N 2 2 220.316 0.927 10 0 BCAELP NC(=O)c1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000042541422 187265602 /nfs/dbraw/zinc/26/56/02/187265602.db2.gz VFOGXBWUXNQTGY-UHFFFAOYSA-N 2 2 244.298 0.772 10 0 BCAELP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245672 187271565 /nfs/dbraw/zinc/27/15/65/187271565.db2.gz RXAQAYXSUZNLLF-ZJUUUORDSA-N 2 2 243.376 0.202 10 0 BCAELP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245672 187271566 /nfs/dbraw/zinc/27/15/66/187271566.db2.gz RXAQAYXSUZNLLF-ZJUUUORDSA-N 2 2 243.376 0.202 10 0 BCAELP [NH3+][C@H]1CCC2(C[C@@H]1n1cc[nH+]c1)OCCO2 ZINC000023072026 344038611 /nfs/dbraw/zinc/03/86/11/344038611.db2.gz WTWHZOQWAJDPKO-UWVGGRQHSA-N 2 2 223.276 0.679 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634769629 344283442 /nfs/dbraw/zinc/28/34/42/344283442.db2.gz IDQMDKAMDWMKMM-GWCFXTLKSA-N 2 2 248.330 0.724 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600885771 344388361 /nfs/dbraw/zinc/38/83/61/344388361.db2.gz NSPBHIRYOFVTTM-ZYHUDNBSSA-N 2 2 244.335 0.378 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600885771 344388362 /nfs/dbraw/zinc/38/83/62/344388362.db2.gz NSPBHIRYOFVTTM-ZYHUDNBSSA-N 2 2 244.335 0.378 10 0 BCAELP Cn1cc[nH+]c1CN1CCCC[C@@H]1C[NH3+] ZINC000044558648 344543467 /nfs/dbraw/zinc/54/34/67/344543467.db2.gz XJFXIVLCCZCQFX-SNVBAGLBSA-N 2 2 208.309 0.733 10 0 BCAELP C[N@H+](C1CCC1)[C@@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000127788510 344651949 /nfs/dbraw/zinc/65/19/49/344651949.db2.gz WDAAGDDLRPINJM-MWLCHTKSSA-N 2 2 211.309 0.206 10 0 BCAELP C[N@@H+](C1CCC1)[C@@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000127788510 344651951 /nfs/dbraw/zinc/65/19/51/344651951.db2.gz WDAAGDDLRPINJM-MWLCHTKSSA-N 2 2 211.309 0.206 10 0 BCAELP C[C@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCc1nc[nH]c12 ZINC000400390422 537855044 /nfs/dbraw/zinc/85/50/44/537855044.db2.gz PEEKBYBRFNLKLH-JOYOIKCWSA-N 2 2 220.320 0.865 10 0 BCAELP C[C@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCc1nc[nH]c12 ZINC000400390422 537855049 /nfs/dbraw/zinc/85/50/49/537855049.db2.gz PEEKBYBRFNLKLH-JOYOIKCWSA-N 2 2 220.320 0.865 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc[nH+]1 ZINC000153144817 344763073 /nfs/dbraw/zinc/76/30/73/344763073.db2.gz LBYUZEWYHBLXRQ-WDEREUQCSA-N 2 2 234.303 0.304 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc[nH+]1 ZINC000153144817 344763074 /nfs/dbraw/zinc/76/30/74/344763074.db2.gz LBYUZEWYHBLXRQ-WDEREUQCSA-N 2 2 234.303 0.304 10 0 BCAELP C[NH+]1CCN(c2nc(N)[nH+]c3c2CCC3)CC1 ZINC000114202376 345755676 /nfs/dbraw/zinc/75/56/76/345755676.db2.gz GZRYONOCEHUIKC-UHFFFAOYSA-N 2 2 233.319 0.299 10 0 BCAELP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309815713 187310541 /nfs/dbraw/zinc/31/05/41/187310541.db2.gz VHZRGFHGRQCCAU-VIFPVBQESA-N 2 2 222.292 0.557 10 0 BCAELP COC(=O)[C@](C)([NH3+])C[C@H](C)n1cc[nH+]c1 ZINC000082800145 537923757 /nfs/dbraw/zinc/92/37/57/537923757.db2.gz FQQMQWBAMSRFCK-WCBMZHEXSA-N 2 2 211.265 0.725 10 0 BCAELP C[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800167 537924421 /nfs/dbraw/zinc/92/44/21/537924421.db2.gz ZQUMLBLOMNLUKL-SCZZXKLOSA-N 2 2 210.281 0.298 10 0 BCAELP C[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000062861535 187361922 /nfs/dbraw/zinc/36/19/22/187361922.db2.gz GNOJGENWNCTYLX-CYBMUJFWSA-N 2 2 248.330 0.615 10 0 BCAELP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H](C[NH3+])C2)C1 ZINC000669379165 537975456 /nfs/dbraw/zinc/97/54/56/537975456.db2.gz VIQATLCVBCOVMM-AGIUHOORSA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H](C[NH3+])C2)C1 ZINC000669379165 537975462 /nfs/dbraw/zinc/97/54/62/537975462.db2.gz VIQATLCVBCOVMM-AGIUHOORSA-N 3 2 225.380 0.903 10 0 BCAELP COc1ccc[nH+]c1NC[C@@H]1C[NH2+]CCO1 ZINC000159439972 346421548 /nfs/dbraw/zinc/42/15/48/346421548.db2.gz AUHQBSKNPFSRMF-VIFPVBQESA-N 2 2 223.276 0.491 10 0 BCAELP [NH3+]C[C@@H]([C@@H]1CCCO1)[NH+]1CCSCC1 ZINC000148889374 346474882 /nfs/dbraw/zinc/47/48/82/346474882.db2.gz JNWLXIICVOIIFJ-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336756603 347237357 /nfs/dbraw/zinc/23/73/57/347237357.db2.gz ITJQIKOZOHALFL-ZJUUUORDSA-N 2 2 213.325 0.324 10 0 BCAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336756603 347237361 /nfs/dbraw/zinc/23/73/61/347237361.db2.gz ITJQIKOZOHALFL-ZJUUUORDSA-N 2 2 213.325 0.324 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396750816 362832658 /nfs/dbraw/zinc/83/26/58/362832658.db2.gz RXRIUQRYDSNXFQ-MNOVXSKESA-N 2 2 225.336 0.339 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396750816 362832666 /nfs/dbraw/zinc/83/26/66/362832666.db2.gz RXRIUQRYDSNXFQ-MNOVXSKESA-N 2 2 225.336 0.339 10 0 BCAELP O[C@]1(C[NH2+]C2CCC2)CC[NH2+]CC1(F)F ZINC000669383675 538010818 /nfs/dbraw/zinc/01/08/18/538010818.db2.gz WYJPCBSNHCTTPT-VIFPVBQESA-N 2 2 220.263 0.488 10 0 BCAELP C[NH+](C)CC(=O)Nc1cccnc1C[NH3+] ZINC000616574418 349078970 /nfs/dbraw/zinc/07/89/70/349078970.db2.gz ZPPPFASMMADEDA-UHFFFAOYSA-N 2 2 208.265 0.040 10 0 BCAELP c1ccc(C[N@@H+]2CCN3CC[NH2+]C[C@H]3C2)cc1 ZINC000250637665 349177558 /nfs/dbraw/zinc/17/75/58/349177558.db2.gz BDJDGOJLRMBDOS-AWEZNQCLSA-N 2 2 231.343 0.776 10 0 BCAELP c1ccc(C[N@H+]2CCN3CC[NH2+]C[C@H]3C2)cc1 ZINC000250637665 349177562 /nfs/dbraw/zinc/17/75/62/349177562.db2.gz BDJDGOJLRMBDOS-AWEZNQCLSA-N 2 2 231.343 0.776 10 0 BCAELP CCc1cc(N2CCN(C)C[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000250516158 349175236 /nfs/dbraw/zinc/17/52/36/349175236.db2.gz NRXQUBRWDHZFTM-GFCCVEGCSA-N 2 2 249.362 0.427 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261535198 535094442 /nfs/dbraw/zinc/09/44/42/535094442.db2.gz WEZUHLASTJCYOB-QWRGUYRKSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261535198 535094444 /nfs/dbraw/zinc/09/44/44/535094444.db2.gz WEZUHLASTJCYOB-QWRGUYRKSA-N 2 2 248.392 0.479 10 0 BCAELP COCCc1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253651 538039908 /nfs/dbraw/zinc/03/99/08/538039908.db2.gz VOSXSMMJSYJMJS-MRVPVSSYSA-N 2 2 209.293 0.945 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000071276162 350096058 /nfs/dbraw/zinc/09/60/58/350096058.db2.gz JZGZNUWAQMVUHM-SNVBAGLBSA-N 2 2 236.319 0.426 10 0 BCAELP Cc1[nH+]c2ccccc2n1C[C@@H]([NH3+])C(N)=O ZINC000045431294 180104484 /nfs/dbraw/zinc/10/44/84/180104484.db2.gz PZNYKUVIXCCXIT-MRVPVSSYSA-N 2 2 218.260 0.157 10 0 BCAELP O=C(C[C@@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000084081106 490365422 /nfs/dbraw/zinc/36/54/22/490365422.db2.gz STKAEVJLWFKMQE-VIFPVBQESA-N 2 2 222.292 0.416 10 0 BCAELP Cc1[nH+]c[nH]c1C[NH2+][C@H]1CCCNC1=O ZINC000054797448 180121963 /nfs/dbraw/zinc/12/19/63/180121963.db2.gz ZEYXUHMGDVHINN-QMMMGPOBSA-N 2 2 208.265 0.086 10 0 BCAELP C[C@H]1C[N@H+](C[C@@]2([NH3+])CCOC2)CCS1 ZINC000220970305 350192286 /nfs/dbraw/zinc/19/22/86/350192286.db2.gz VOOUOJQZMYZMQE-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@]2([NH3+])CCOC2)CCS1 ZINC000220970305 350192288 /nfs/dbraw/zinc/19/22/88/350192288.db2.gz VOOUOJQZMYZMQE-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP Cc1nc(N2CC[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC000235971962 180194726 /nfs/dbraw/zinc/19/47/26/180194726.db2.gz IKLOONYXJXCZAH-LLVKDONJSA-N 2 2 206.293 0.960 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000049331235 180248372 /nfs/dbraw/zinc/24/83/72/180248372.db2.gz YVDFVQVDLHBLGM-UHFFFAOYSA-N 3 2 222.336 0.875 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+](C)C1CC[NH2+]CC1 ZINC000049331235 180248374 /nfs/dbraw/zinc/24/83/74/180248374.db2.gz YVDFVQVDLHBLGM-UHFFFAOYSA-N 3 2 222.336 0.875 10 0 BCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCOC1=O ZINC000178295945 180270137 /nfs/dbraw/zinc/27/01/37/180270137.db2.gz NBZHOLKELWYLKS-VXGBXAGGSA-N 2 2 249.314 0.971 10 0 BCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCOC1=O ZINC000178295945 180270139 /nfs/dbraw/zinc/27/01/39/180270139.db2.gz NBZHOLKELWYLKS-VXGBXAGGSA-N 2 2 249.314 0.971 10 0 BCAELP C[NH+](C)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000037873794 350289970 /nfs/dbraw/zinc/28/99/70/350289970.db2.gz ZSHMFQSKNUKREM-LBPRGKRZSA-N 2 2 208.305 0.699 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000020315816 180337362 /nfs/dbraw/zinc/33/73/62/180337362.db2.gz JFEICHMSVLKVHB-NSHDSACASA-N 2 2 222.336 0.960 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000020315816 180337364 /nfs/dbraw/zinc/33/73/64/180337364.db2.gz JFEICHMSVLKVHB-NSHDSACASA-N 2 2 222.336 0.960 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CCO)C1 ZINC000162895759 350456863 /nfs/dbraw/zinc/45/68/63/350456863.db2.gz CTPZHUYGVQCEKY-GFCCVEGCSA-N 2 2 223.320 0.896 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CCO)C1 ZINC000162895759 350456866 /nfs/dbraw/zinc/45/68/66/350456866.db2.gz CTPZHUYGVQCEKY-GFCCVEGCSA-N 2 2 223.320 0.896 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CCO)C1 ZINC000162895888 350456982 /nfs/dbraw/zinc/45/69/82/350456982.db2.gz CTPZHUYGVQCEKY-LBPRGKRZSA-N 2 2 223.320 0.896 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000162895888 350456985 /nfs/dbraw/zinc/45/69/85/350456985.db2.gz CTPZHUYGVQCEKY-LBPRGKRZSA-N 2 2 223.320 0.896 10 0 BCAELP CCc1[nH+]ccn1[C@H](C)[C@@H]([NH3+])C(=O)OC ZINC000710776764 538095926 /nfs/dbraw/zinc/09/59/26/538095926.db2.gz YNBLAKSDWSXXSB-VXNVDRBHSA-N 2 2 211.265 0.507 10 0 BCAELP OCC[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000309536450 350707631 /nfs/dbraw/zinc/70/76/31/350707631.db2.gz XDEDCCDYTXSXAA-UHFFFAOYSA-N 2 2 241.360 0.689 10 0 BCAELP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCSC2)CCO1 ZINC000159506465 350814288 /nfs/dbraw/zinc/81/42/88/350814288.db2.gz NLSAGQUQOXIPOZ-DTWKUNHWSA-N 2 2 202.323 0.151 10 0 BCAELP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCSC2)CCO1 ZINC000159506465 350814291 /nfs/dbraw/zinc/81/42/91/350814291.db2.gz NLSAGQUQOXIPOZ-DTWKUNHWSA-N 2 2 202.323 0.151 10 0 BCAELP OCC[N@@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616603161 350789154 /nfs/dbraw/zinc/78/91/54/350789154.db2.gz BRKZYRWCSJAQMN-NSHDSACASA-N 2 2 209.293 0.902 10 0 BCAELP OCC[N@H+]1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616603161 350789157 /nfs/dbraw/zinc/78/91/57/350789157.db2.gz BRKZYRWCSJAQMN-NSHDSACASA-N 2 2 209.293 0.902 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616604467 350793201 /nfs/dbraw/zinc/79/32/01/350793201.db2.gz PRAKFAKRTFAZEF-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ncc[nH]2)C1 ZINC000616604467 350793202 /nfs/dbraw/zinc/79/32/02/350793202.db2.gz PRAKFAKRTFAZEF-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP COC(=O)[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616605331 350795049 /nfs/dbraw/zinc/79/50/49/350795049.db2.gz YOYDNQOIFHCTOC-VIFPVBQESA-N 2 2 200.282 0.220 10 0 BCAELP COC(=O)[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616605331 350795051 /nfs/dbraw/zinc/79/50/51/350795051.db2.gz YOYDNQOIFHCTOC-VIFPVBQESA-N 2 2 200.282 0.220 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc(CO)c2)C1 ZINC000616611078 350810083 /nfs/dbraw/zinc/81/00/83/350810083.db2.gz AKOIFGBYLZLVOQ-ZDUSSCGKSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc(CO)c2)C1 ZINC000616611078 350810087 /nfs/dbraw/zinc/81/00/87/350810087.db2.gz AKOIFGBYLZLVOQ-ZDUSSCGKSA-N 2 2 220.316 0.927 10 0 BCAELP NC(=O)c1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616620120 350933568 /nfs/dbraw/zinc/93/35/68/350933568.db2.gz FSLQDNUFEKSTJN-ZDUSSCGKSA-N 2 2 247.342 0.924 10 0 BCAELP NC(=O)c1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616620120 350933572 /nfs/dbraw/zinc/93/35/72/350933572.db2.gz FSLQDNUFEKSTJN-ZDUSSCGKSA-N 2 2 247.342 0.924 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnno2)CC1 ZINC000616630501 351103492 /nfs/dbraw/zinc/10/34/92/351103492.db2.gz ZOMMVAAQTXLKSU-VIFPVBQESA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnno2)CC1 ZINC000616630501 351103495 /nfs/dbraw/zinc/10/34/95/351103495.db2.gz ZOMMVAAQTXLKSU-VIFPVBQESA-N 2 2 210.281 0.598 10 0 BCAELP OCC[N@@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616652010 351190082 /nfs/dbraw/zinc/19/00/82/351190082.db2.gz CQQZXBYHXGSTKF-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP OCC[N@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616652010 351190085 /nfs/dbraw/zinc/19/00/85/351190085.db2.gz CQQZXBYHXGSTKF-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP Nc1cccc([C@@H]2CC[N@H+](CC[NH3+])CCO2)c1 ZINC000616665644 351223097 /nfs/dbraw/zinc/22/30/97/351223097.db2.gz QHVFDSOKLVLIPD-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1cccc([C@@H]2CC[N@@H+](CC[NH3+])CCO2)c1 ZINC000616665644 351223102 /nfs/dbraw/zinc/22/31/02/351223102.db2.gz QHVFDSOKLVLIPD-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP CCC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000307100149 351478691 /nfs/dbraw/zinc/47/86/91/351478691.db2.gz XMSNYSRXQNVQKX-LBPRGKRZSA-N 2 2 210.321 0.993 10 0 BCAELP CCC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000307100149 351478697 /nfs/dbraw/zinc/47/86/97/351478697.db2.gz XMSNYSRXQNVQKX-LBPRGKRZSA-N 2 2 210.321 0.993 10 0 BCAELP CCC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000307100149 351478701 /nfs/dbraw/zinc/47/87/01/351478701.db2.gz XMSNYSRXQNVQKX-LBPRGKRZSA-N 2 2 210.321 0.993 10 0 BCAELP CCC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000307100149 351478707 /nfs/dbraw/zinc/47/87/07/351478707.db2.gz XMSNYSRXQNVQKX-LBPRGKRZSA-N 2 2 210.321 0.993 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000307723603 353111759 /nfs/dbraw/zinc/11/17/59/353111759.db2.gz VPDWMGGEISBEMB-SECBINFHSA-N 2 2 200.282 0.030 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000307723603 353111761 /nfs/dbraw/zinc/11/17/61/353111761.db2.gz VPDWMGGEISBEMB-SECBINFHSA-N 2 2 200.282 0.030 10 0 BCAELP NC(=O)c1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000019427756 188280436 /nfs/dbraw/zinc/28/04/36/188280436.db2.gz FIQBMMIORXRKNF-UHFFFAOYSA-N 2 2 233.315 0.581 10 0 BCAELP NC(=O)c1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000019427756 188280438 /nfs/dbraw/zinc/28/04/38/188280438.db2.gz FIQBMMIORXRKNF-UHFFFAOYSA-N 2 2 233.315 0.581 10 0 BCAELP CCc1[nH+]ccn1-c1c(C[NH3+])c(C)nn1C ZINC000042420067 188293761 /nfs/dbraw/zinc/29/37/61/188293761.db2.gz FDHYUSPTIRAXLO-UHFFFAOYSA-N 2 2 219.292 0.935 10 0 BCAELP COCC[NH+](CCOC)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042442592 188293770 /nfs/dbraw/zinc/29/37/70/188293770.db2.gz PQDSBCPKDFMTAX-NWDGAFQWSA-N 2 2 230.352 0.851 10 0 BCAELP CC(=O)NCC[N@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139246 188303925 /nfs/dbraw/zinc/30/39/25/188303925.db2.gz SGGIPRRZDFPHOG-ZDUSSCGKSA-N 2 2 241.379 0.833 10 0 BCAELP CC(=O)NCC[N@@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063139246 188303926 /nfs/dbraw/zinc/30/39/26/188303926.db2.gz SGGIPRRZDFPHOG-ZDUSSCGKSA-N 2 2 241.379 0.833 10 0 BCAELP CC(=O)N1CC[NH+]([C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000086409804 188318286 /nfs/dbraw/zinc/31/82/86/188318286.db2.gz QZBDIOHJJKOYKZ-GHMZBOCLSA-N 2 2 211.309 0.030 10 0 BCAELP C(C[NH+]1CCOCC1)O[C@@H]1CCC[NH2+]C1 ZINC000019965449 188352362 /nfs/dbraw/zinc/35/23/62/188352362.db2.gz VIWXKSPRMRLKPH-LLVKDONJSA-N 2 2 214.309 0.087 10 0 BCAELP Cn1nccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231462299 353605890 /nfs/dbraw/zinc/60/58/90/353605890.db2.gz DILPXVYNYPKQLS-NSHDSACASA-N 2 2 222.336 0.994 10 0 BCAELP Cn1nccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231462299 353605891 /nfs/dbraw/zinc/60/58/91/353605891.db2.gz DILPXVYNYPKQLS-NSHDSACASA-N 2 2 222.336 0.994 10 0 BCAELP CO[C@H]1C[C@@H](CN(C)Cc2c[nH]c[nH+]2)[N@@H+](C)C1 ZINC000344497794 354288506 /nfs/dbraw/zinc/28/85/06/354288506.db2.gz RGGLRQDSOFFYBN-RYUDHWBXSA-N 2 2 238.335 0.561 10 0 BCAELP NC(=O)CC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC000043501353 181220027 /nfs/dbraw/zinc/22/00/27/181220027.db2.gz ILIWKNKWMKLPGY-NSHDSACASA-N 2 2 225.336 0.326 10 0 BCAELP Cn1cc[nH+]c1[C@H]1[C@@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000675058753 538481813 /nfs/dbraw/zinc/48/18/13/538481813.db2.gz WNKAFLHNJLTKGO-BXKDBHETSA-N 2 2 248.330 0.821 10 0 BCAELP C[NH+](C)CC(=O)Nc1nc(C[NH3+])cs1 ZINC000675073652 538505691 /nfs/dbraw/zinc/50/56/91/538505691.db2.gz SCBGUSMCKDDQNN-UHFFFAOYSA-N 2 2 214.294 0.102 10 0 BCAELP [NH3+]CC(F)(F)C1(O)CC[NH+](C2CC2)CC1 ZINC000675074545 538507416 /nfs/dbraw/zinc/50/74/16/538507416.db2.gz ZGFZCZWSCMHKHS-UHFFFAOYSA-N 2 2 220.263 0.570 10 0 BCAELP Cc1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)n(C)n1 ZINC000675077609 538513432 /nfs/dbraw/zinc/51/34/32/538513432.db2.gz OWAITYYFYKNFQJ-SNVBAGLBSA-N 2 2 206.293 0.128 10 0 BCAELP CCCn1nncc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077573 538513978 /nfs/dbraw/zinc/51/39/78/538513978.db2.gz GDHNRMDKLQWAQA-SECBINFHSA-N 2 2 207.281 0.002 10 0 BCAELP O[C@H]1C=C(c2c[nH+]c3n2CCC3)C[NH2+]C1 ZINC000675077733 538514344 /nfs/dbraw/zinc/51/43/44/538514344.db2.gz QXIXQXOUIAPMCI-VIFPVBQESA-N 2 2 205.261 0.177 10 0 BCAELP Cc1cc(CC2=C[C@H]([NH3+])C[NH2+]C2)nn1C ZINC000675078090 538514713 /nfs/dbraw/zinc/51/47/13/538514713.db2.gz MJTHZXPHMVSXCH-JTQLQIEISA-N 2 2 206.293 0.128 10 0 BCAELP Cc1cnc(CC2=C[C@@H]([NH3+])C[NH2+]C2)s1 ZINC000675079493 538518899 /nfs/dbraw/zinc/51/88/99/538518899.db2.gz ZLUBEZXMVQWVDA-SECBINFHSA-N 2 2 209.318 0.851 10 0 BCAELP COC(=O)[C@]1([NH3+])CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626597 538557189 /nfs/dbraw/zinc/55/71/89/538557189.db2.gz GKMWDRFLLOMHLQ-SCZZXKLOSA-N 2 2 209.249 0.479 10 0 BCAELP COC(=O)[C@@]1([NH3+])CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626600 538557285 /nfs/dbraw/zinc/55/72/85/538557285.db2.gz GKMWDRFLLOMHLQ-PSASIEDQSA-N 2 2 209.249 0.479 10 0 BCAELP NC(=O)[C@]1([NH3+])CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604647 538557844 /nfs/dbraw/zinc/55/78/44/538557844.db2.gz HNRLNOIAQQFJAI-SCZZXKLOSA-N 2 2 208.265 0.181 10 0 BCAELP CO[C@@H]1CC[N@H+](C[C@H]2CSCC[NH2+]2)C1 ZINC000300042535 357176140 /nfs/dbraw/zinc/17/61/40/357176140.db2.gz QEUHDCPBDNPJHC-VHSXEESVSA-N 2 2 216.350 0.412 10 0 BCAELP CO[C@@H]1CC[N@@H+](C[C@H]2CSCC[NH2+]2)C1 ZINC000300042535 357176145 /nfs/dbraw/zinc/17/61/45/357176145.db2.gz QEUHDCPBDNPJHC-VHSXEESVSA-N 2 2 216.350 0.412 10 0 BCAELP Cn1c[nH+]c([C@@H]2C[NH2+]C[C@H]2C(=O)NC2CC2)c1 ZINC000685945637 538887285 /nfs/dbraw/zinc/88/72/85/538887285.db2.gz YIDNSAJXAMMEEO-NXEZZACHSA-N 2 2 234.303 0.002 10 0 BCAELP Cn1c[nH+]cc1-c1cnnn1[C@H]1CC[NH2+]C1 ZINC000685951555 538895351 /nfs/dbraw/zinc/89/53/51/538895351.db2.gz BDOXFDOPDVXHLU-QMMMGPOBSA-N 2 2 218.264 0.213 10 0 BCAELP CC[NH+](CC)CCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000191895853 357803482 /nfs/dbraw/zinc/80/34/82/357803482.db2.gz FNPYFMFWIAELQN-GFCCVEGCSA-N 2 2 241.379 0.929 10 0 BCAELP CC[NH+](CC)CCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000191895853 357803487 /nfs/dbraw/zinc/80/34/87/357803487.db2.gz FNPYFMFWIAELQN-GFCCVEGCSA-N 2 2 241.379 0.929 10 0 BCAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000235328127 357866406 /nfs/dbraw/zinc/86/64/06/357866406.db2.gz VZUUIDZGCKWCSA-ZJUUUORDSA-N 2 2 222.292 0.079 10 0 BCAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938728 357944769 /nfs/dbraw/zinc/94/47/69/357944769.db2.gz JYSWJCFHZVZJQS-JHJVBQTASA-N 2 2 244.379 0.533 10 0 BCAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938728 357944773 /nfs/dbraw/zinc/94/47/73/357944773.db2.gz JYSWJCFHZVZJQS-JHJVBQTASA-N 2 2 244.379 0.533 10 0 BCAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938728 357944777 /nfs/dbraw/zinc/94/47/77/357944777.db2.gz JYSWJCFHZVZJQS-JHJVBQTASA-N 2 2 244.379 0.533 10 0 BCAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938728 357944783 /nfs/dbraw/zinc/94/47/83/357944783.db2.gz JYSWJCFHZVZJQS-JHJVBQTASA-N 2 2 244.379 0.533 10 0 BCAELP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCOCO2)C1 ZINC000252687556 366408271 /nfs/dbraw/zinc/40/82/71/366408271.db2.gz LQFGWUIVOUFBJV-VHSXEESVSA-N 2 2 200.282 0.043 10 0 BCAELP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCOCO2)C1 ZINC000252687556 366408275 /nfs/dbraw/zinc/40/82/75/366408275.db2.gz LQFGWUIVOUFBJV-VHSXEESVSA-N 2 2 200.282 0.043 10 0 BCAELP CC(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133894618 358772410 /nfs/dbraw/zinc/77/24/10/358772410.db2.gz YNMOJHOWRJGDKN-YNEHKIRRSA-N 2 2 244.379 0.750 10 0 BCAELP C[C@H](C[N@@H+]1CCC[S@@](=O)CC1)[C@H](C)[NH3+] ZINC000306491600 360209221 /nfs/dbraw/zinc/20/92/21/360209221.db2.gz WFEZHAREGFXQHI-ISTVAULSSA-N 2 2 218.366 0.424 10 0 BCAELP C[C@H](C[N@H+]1CCC[S@@](=O)CC1)[C@H](C)[NH3+] ZINC000306491600 360209225 /nfs/dbraw/zinc/20/92/25/360209225.db2.gz WFEZHAREGFXQHI-ISTVAULSSA-N 2 2 218.366 0.424 10 0 BCAELP C[C@H]1C[N@H+](CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000629535235 361409811 /nfs/dbraw/zinc/40/98/11/361409811.db2.gz FMNBCQJANWBFKC-JQWIXIFHSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1C[N@@H+](CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000629535235 361409816 /nfs/dbraw/zinc/40/98/16/361409816.db2.gz FMNBCQJANWBFKC-JQWIXIFHSA-N 2 2 228.336 0.461 10 0 BCAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC1CC1 ZINC000040749952 181345280 /nfs/dbraw/zinc/34/52/80/181345280.db2.gz HLYLETQWBZUAIQ-YOGCLGLASA-N 2 2 237.347 0.467 10 0 BCAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC1CC1 ZINC000040749952 181345281 /nfs/dbraw/zinc/34/52/81/181345281.db2.gz HLYLETQWBZUAIQ-YOGCLGLASA-N 2 2 237.347 0.467 10 0 BCAELP CCOCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630356051 364077914 /nfs/dbraw/zinc/07/79/14/364077914.db2.gz NFYHJFRSBNUYSA-GHMZBOCLSA-N 2 2 216.325 0.461 10 0 BCAELP CCOCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630356051 364077918 /nfs/dbraw/zinc/07/79/18/364077918.db2.gz NFYHJFRSBNUYSA-GHMZBOCLSA-N 2 2 216.325 0.461 10 0 BCAELP COCCOCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359075 364079412 /nfs/dbraw/zinc/07/94/12/364079412.db2.gz KTUFGIONKJUSAE-RYUDHWBXSA-N 2 2 246.351 0.088 10 0 BCAELP COCCOCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359075 364079417 /nfs/dbraw/zinc/07/94/17/364079417.db2.gz KTUFGIONKJUSAE-RYUDHWBXSA-N 2 2 246.351 0.088 10 0 BCAELP COC[C@H](C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+])OC ZINC000630367558 364084828 /nfs/dbraw/zinc/08/48/28/364084828.db2.gz NWPUUPFIAZOLNT-SRVKXCTJSA-N 2 2 246.351 0.086 10 0 BCAELP COC[C@H](C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+])OC ZINC000630367558 364084832 /nfs/dbraw/zinc/08/48/32/364084832.db2.gz NWPUUPFIAZOLNT-SRVKXCTJSA-N 2 2 246.351 0.086 10 0 BCAELP COc1ccc[nH+]c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000630514111 364199015 /nfs/dbraw/zinc/19/90/15/364199015.db2.gz VDEKPCMKGBSPJE-RKDXNWHRSA-N 2 2 223.276 0.082 10 0 BCAELP CCC[NH+](CCC)[C@H]1C[NH2+]CC[C@H]1O ZINC000675060625 541463921 /nfs/dbraw/zinc/46/39/21/541463921.db2.gz JUXWMLDGMISOHT-WDEREUQCSA-N 2 2 200.326 0.831 10 0 BCAELP CCCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381412924 367397968 /nfs/dbraw/zinc/39/79/68/367397968.db2.gz ZAWHXYUSRWNEIE-TUAOUCFPSA-N 2 2 249.362 0.857 10 0 BCAELP CCCn1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381412924 367397975 /nfs/dbraw/zinc/39/79/75/367397975.db2.gz ZAWHXYUSRWNEIE-TUAOUCFPSA-N 2 2 249.362 0.857 10 0 BCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111264277 368853913 /nfs/dbraw/zinc/85/39/13/368853913.db2.gz OTHGKFKMUMBGGH-OUAUKWLOSA-N 2 2 236.319 0.243 10 0 BCAELP Nc1cc(C[NH+]2CCOCC2)cc(N)[nH+]1 ZINC000114604449 370580120 /nfs/dbraw/zinc/58/01/20/370580120.db2.gz GNPPQMQZBUBVOA-UHFFFAOYSA-N 2 2 208.265 0.078 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)C[N@@H+]1C1CC1 ZINC000624237271 371425103 /nfs/dbraw/zinc/42/51/03/371425103.db2.gz TVUURINJQVKRPU-RSLMWUCJSA-N 2 2 240.347 0.351 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@H]2O)C[N@H+]1C1CC1 ZINC000624237271 371425105 /nfs/dbraw/zinc/42/51/05/371425105.db2.gz TVUURINJQVKRPU-RSLMWUCJSA-N 2 2 240.347 0.351 10 0 BCAELP CC1(C)C[N@@H+]([C@H](C[NH3+])CO)CCS1 ZINC000133280484 372017426 /nfs/dbraw/zinc/01/74/26/372017426.db2.gz PKVGQIGLRSYXTK-MRVPVSSYSA-N 2 2 204.339 0.133 10 0 BCAELP CC1(C)C[N@H+]([C@H](C[NH3+])CO)CCS1 ZINC000133280484 372017435 /nfs/dbraw/zinc/01/74/35/372017435.db2.gz PKVGQIGLRSYXTK-MRVPVSSYSA-N 2 2 204.339 0.133 10 0 BCAELP CCCn1ncnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838056 372630834 /nfs/dbraw/zinc/63/08/34/372630834.db2.gz ZGOSFKPLWIZMAK-QWRGUYRKSA-N 2 2 237.351 0.715 10 0 BCAELP CCCn1ncnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838056 372630841 /nfs/dbraw/zinc/63/08/41/372630841.db2.gz ZGOSFKPLWIZMAK-QWRGUYRKSA-N 2 2 237.351 0.715 10 0 BCAELP CC(C)(C)OC(=O)N1CC([NH2+]CC[NH3+])C1 ZINC000069606328 373507696 /nfs/dbraw/zinc/50/76/96/373507696.db2.gz RICGGVOVYKXTPK-UHFFFAOYSA-N 2 2 215.297 0.154 10 0 BCAELP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CCOCO2)C1 ZINC000041029564 374081766 /nfs/dbraw/zinc/08/17/66/374081766.db2.gz UUEWDOWRNVYBTL-ZJUUUORDSA-N 2 2 200.282 0.173 10 0 BCAELP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCOCO2)C1 ZINC000041029564 374081770 /nfs/dbraw/zinc/08/17/70/374081770.db2.gz UUEWDOWRNVYBTL-ZJUUUORDSA-N 2 2 200.282 0.173 10 0 BCAELP COC(=O)C1=C(O)CC[N@H+](CCC[NH+](C)C)C1 ZINC000041286719 374129299 /nfs/dbraw/zinc/12/92/99/374129299.db2.gz VRPCRECXXADOIY-SNVBAGLBSA-N 2 2 242.319 0.002 10 0 BCAELP COC(=O)C1=C(O)CC[N@@H+](CCC[NH+](C)C)C1 ZINC000041286719 374129308 /nfs/dbraw/zinc/12/93/08/374129308.db2.gz VRPCRECXXADOIY-SNVBAGLBSA-N 2 2 242.319 0.002 10 0 BCAELP COc1ccc([C@@H](O)C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000070458361 374143840 /nfs/dbraw/zinc/14/38/40/374143840.db2.gz ACYWPAFIBGIGSI-AAEUAGOBSA-N 2 2 236.315 0.762 10 0 BCAELP COc1ccc([C@@H](O)C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000070458361 374143844 /nfs/dbraw/zinc/14/38/44/374143844.db2.gz ACYWPAFIBGIGSI-AAEUAGOBSA-N 2 2 236.315 0.762 10 0 BCAELP CCOCCC[N@@H+]1CCO[C@H](C[NH2+]C)C1 ZINC000071519821 170374020 /nfs/dbraw/zinc/37/40/20/170374020.db2.gz OMXKUOHVXWNQRW-LLVKDONJSA-N 2 2 216.325 0.333 10 0 BCAELP CCOCCC[N@H+]1CCO[C@H](C[NH2+]C)C1 ZINC000071519821 170374021 /nfs/dbraw/zinc/37/40/21/170374021.db2.gz OMXKUOHVXWNQRW-LLVKDONJSA-N 2 2 216.325 0.333 10 0 BCAELP OC[C@@H](c1cccnc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117446 183114743 /nfs/dbraw/zinc/11/47/43/183114743.db2.gz WUXPJHFATGWHTN-LBPRGKRZSA-N 2 2 221.304 0.410 10 0 BCAELP OC[C@@H](c1cccnc1)[N@H+]1CCC[NH2+]CC1 ZINC000038117446 183114744 /nfs/dbraw/zinc/11/47/44/183114744.db2.gz WUXPJHFATGWHTN-LBPRGKRZSA-N 2 2 221.304 0.410 10 0 BCAELP O[C@H](C[NH2+]Cc1cc[nH]c1)C[NH+]1CCCCC1 ZINC000175700857 183224093 /nfs/dbraw/zinc/22/40/93/183224093.db2.gz IWHRVQDHIQUFRK-CYBMUJFWSA-N 2 2 237.347 0.951 10 0 BCAELP CCCNC(=O)C[NH2+]CCC[NH+](CC)CC ZINC000020052160 169225921 /nfs/dbraw/zinc/22/59/21/169225921.db2.gz LIZOGCQPNQREQZ-UHFFFAOYSA-N 2 2 229.368 0.834 10 0 BCAELP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983893 169217101 /nfs/dbraw/zinc/21/71/01/169217101.db2.gz PNBXFPJJHAVBLD-NSHDSACASA-N 2 2 239.363 0.729 10 0 BCAELP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061983893 169217103 /nfs/dbraw/zinc/21/71/03/169217103.db2.gz PNBXFPJJHAVBLD-NSHDSACASA-N 2 2 239.363 0.729 10 0 BCAELP CCCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000042518479 169218850 /nfs/dbraw/zinc/21/88/50/169218850.db2.gz FCTAECNWINVDFV-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC000042518479 169218852 /nfs/dbraw/zinc/21/88/52/169218852.db2.gz FCTAECNWINVDFV-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCC)CC1 ZINC000037537102 169256253 /nfs/dbraw/zinc/25/62/53/169256253.db2.gz AGRIFQBYXSLFIH-NSHDSACASA-N 2 2 241.379 0.975 10 0 BCAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC000104421516 169262182 /nfs/dbraw/zinc/26/21/82/169262182.db2.gz BQJPIFCGZWWJQU-RYUDHWBXSA-N 2 2 241.379 0.962 10 0 BCAELP CCC[NH2+]C[C@@H]1CCC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC000104421516 169262185 /nfs/dbraw/zinc/26/21/85/169262185.db2.gz BQJPIFCGZWWJQU-RYUDHWBXSA-N 2 2 241.379 0.962 10 0 BCAELP C[C@@H](O)C[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000111227816 383842535 /nfs/dbraw/zinc/84/25/35/383842535.db2.gz BMIJCIMYAREFKQ-GHMZBOCLSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@@H](O)C[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000111227816 383842544 /nfs/dbraw/zinc/84/25/44/383842544.db2.gz BMIJCIMYAREFKQ-GHMZBOCLSA-N 2 2 238.335 0.297 10 0 BCAELP N[C@]1(C[NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000035676926 384088614 /nfs/dbraw/zinc/08/86/14/384088614.db2.gz XEVKWMMONSJVOW-ZDUSSCGKSA-N 2 2 219.332 0.939 10 0 BCAELP N[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000035676926 384088617 /nfs/dbraw/zinc/08/86/17/384088617.db2.gz XEVKWMMONSJVOW-ZDUSSCGKSA-N 2 2 219.332 0.939 10 0 BCAELP [NH3+]C[C@@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000035676926 384088619 /nfs/dbraw/zinc/08/86/19/384088619.db2.gz XEVKWMMONSJVOW-ZDUSSCGKSA-N 2 2 219.332 0.939 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N1CC[C@](C)(C[NH3+])C1 ZINC000236110808 384184355 /nfs/dbraw/zinc/18/43/55/384184355.db2.gz PKCIAXKQNXVQPM-GFCCVEGCSA-N 2 2 246.318 0.538 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC000095072731 384345470 /nfs/dbraw/zinc/34/54/70/384345470.db2.gz JGDKZACGOMABNL-MRVPVSSYSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC000095072731 384345478 /nfs/dbraw/zinc/34/54/78/384345478.db2.gz JGDKZACGOMABNL-MRVPVSSYSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072727 384346414 /nfs/dbraw/zinc/34/64/14/384346414.db2.gz XFPHYCZFTWHCCE-QMMMGPOBSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072727 384346421 /nfs/dbraw/zinc/34/64/21/384346421.db2.gz XFPHYCZFTWHCCE-QMMMGPOBSA-N 2 2 226.711 0.911 10 0 BCAELP O=C(C[NH2+]C[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000095072810 384346535 /nfs/dbraw/zinc/34/65/35/384346535.db2.gz FBIMTBUJKUHRRL-JTQLQIEISA-N 2 2 219.288 0.463 10 0 BCAELP CC[C@@H]([NH3+])C[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000095930137 384409734 /nfs/dbraw/zinc/40/97/34/384409734.db2.gz BRSLWKWNVWIWSD-HTQZYQBOSA-N 2 2 202.298 0.783 10 0 BCAELP Cc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000302605382 384384066 /nfs/dbraw/zinc/38/40/66/384384066.db2.gz JUVOUFQCQHCJHG-SECBINFHSA-N 2 2 234.307 0.047 10 0 BCAELP Cc1nc(N2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000302605382 384384073 /nfs/dbraw/zinc/38/40/73/384384073.db2.gz JUVOUFQCQHCJHG-SECBINFHSA-N 2 2 234.307 0.047 10 0 BCAELP COCC[NH2+]CCNc1cc[nH+]c(C)n1 ZINC000215525983 384464954 /nfs/dbraw/zinc/46/49/54/384464954.db2.gz AAZAIFXJKJTIQF-UHFFFAOYSA-N 2 2 210.281 0.433 10 0 BCAELP [NH3+]CC[NH+]1CCC(c2ncccn2)CC1 ZINC000259233729 384764239 /nfs/dbraw/zinc/76/42/39/384764239.db2.gz PILKRZHDLCSNAF-UHFFFAOYSA-N 2 2 206.293 0.615 10 0 BCAELP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cnn1C ZINC000126223143 384781203 /nfs/dbraw/zinc/78/12/03/384781203.db2.gz PVPDTHAJNGLJRE-LBPRGKRZSA-N 2 2 222.336 0.912 10 0 BCAELP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+]2C)cnn1C ZINC000126223143 384781205 /nfs/dbraw/zinc/78/12/05/384781205.db2.gz PVPDTHAJNGLJRE-LBPRGKRZSA-N 2 2 222.336 0.912 10 0 BCAELP CO[C@H]1C[C@@H](CO)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000310140547 384854061 /nfs/dbraw/zinc/85/40/61/384854061.db2.gz MXPXWRUJIKSCMH-RYUDHWBXSA-N 2 2 239.319 0.355 10 0 BCAELP CO[C@H]1C[C@@H](CO)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000310140547 384854067 /nfs/dbraw/zinc/85/40/67/384854067.db2.gz MXPXWRUJIKSCMH-RYUDHWBXSA-N 2 2 239.319 0.355 10 0 BCAELP [NH3+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000084396547 384861321 /nfs/dbraw/zinc/86/13/21/384861321.db2.gz VSSDTDNFDFSLKH-RXMQYKEDSA-N 2 2 216.082 0.919 10 0 BCAELP Cc1nc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000404081449 384897257 /nfs/dbraw/zinc/89/72/57/384897257.db2.gz SMWAOQFOEMREFA-GHMZBOCLSA-N 2 2 234.303 0.352 10 0 BCAELP Cn1c[nH+]cc1[C@@H]1[C@@H]([NH3+])CCC(=O)N1C ZINC000085169018 384924076 /nfs/dbraw/zinc/92/40/76/384924076.db2.gz DEXKKGSSFWGLCX-XVKPBYJWSA-N 2 2 208.265 0.041 10 0 BCAELP C[NH2+][C@@]1(CO)CC[N@H+](Cc2ccccc2)C1 ZINC000038121181 384994319 /nfs/dbraw/zinc/99/43/19/384994319.db2.gz LQVPPVIXXKEWPB-ZDUSSCGKSA-N 2 2 220.316 0.843 10 0 BCAELP C[NH2+][C@@]1(CO)CC[N@@H+](Cc2ccccc2)C1 ZINC000038121181 384994325 /nfs/dbraw/zinc/99/43/25/384994325.db2.gz LQVPPVIXXKEWPB-ZDUSSCGKSA-N 2 2 220.316 0.843 10 0 BCAELP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)OC)C1 ZINC000053204434 385072342 /nfs/dbraw/zinc/07/23/42/385072342.db2.gz UPMZKDOEBIMQMD-SECBINFHSA-N 2 2 200.282 0.233 10 0 BCAELP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)OC)C1 ZINC000053204434 385072353 /nfs/dbraw/zinc/07/23/53/385072353.db2.gz UPMZKDOEBIMQMD-SECBINFHSA-N 2 2 200.282 0.233 10 0 BCAELP C[NH+](C)C[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000108952137 385118708 /nfs/dbraw/zinc/11/87/08/385118708.db2.gz HKFQWIVNGHYDEX-NSHDSACASA-N 2 2 221.304 0.848 10 0 BCAELP [NH3+][C@@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000230644956 385745222 /nfs/dbraw/zinc/74/52/22/385745222.db2.gz BDAQYMXTRHAICD-NEPJUHHUSA-N 2 2 228.336 0.953 10 0 BCAELP [NH3+][C@@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000230644956 385745226 /nfs/dbraw/zinc/74/52/26/385745226.db2.gz BDAQYMXTRHAICD-NEPJUHHUSA-N 2 2 228.336 0.953 10 0 BCAELP Cc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000310095049 386096707 /nfs/dbraw/zinc/09/67/07/386096707.db2.gz HQVHIHLWJXYQQH-IONNQARKSA-N 2 2 236.323 0.149 10 0 BCAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414353197 386140901 /nfs/dbraw/zinc/14/09/01/386140901.db2.gz YBWIGIUMXFFCPE-SDDRHHMPSA-N 2 2 211.353 0.620 10 0 BCAELP CC[N@H+]1CC[C@H](N[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000414353197 386140906 /nfs/dbraw/zinc/14/09/06/386140906.db2.gz YBWIGIUMXFFCPE-SDDRHHMPSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000414353197 386140910 /nfs/dbraw/zinc/14/09/10/386140910.db2.gz YBWIGIUMXFFCPE-SDDRHHMPSA-N 2 2 211.353 0.620 10 0 BCAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000414353197 386140914 /nfs/dbraw/zinc/14/09/14/386140914.db2.gz YBWIGIUMXFFCPE-SDDRHHMPSA-N 2 2 211.353 0.620 10 0 BCAELP O=C([C@@H]1CCCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254704 386505865 /nfs/dbraw/zinc/50/58/65/386505865.db2.gz DTWIWCUKRGSDGP-JTQLQIEISA-N 2 2 234.303 0.367 10 0 BCAELP C[C@@]1(CN2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000062912546 386531824 /nfs/dbraw/zinc/53/18/24/386531824.db2.gz RBGGYAXSXZPNHP-GFCCVEGCSA-N 2 2 220.320 0.698 10 0 BCAELP [NH3+]CC1([NH+]2CCC(F)CC2)CSC1 ZINC000575462884 387042343 /nfs/dbraw/zinc/04/23/43/387042343.db2.gz HUUGBGHHZHHRFK-UHFFFAOYSA-N 2 2 204.314 0.865 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000440943767 387714255 /nfs/dbraw/zinc/71/42/55/387714255.db2.gz RKKVZEYNWXPIIG-NWDGAFQWSA-N 2 2 239.363 0.729 10 0 BCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000085012003 388082943 /nfs/dbraw/zinc/08/29/43/388082943.db2.gz ZAQNCFYKYCNTDL-NXEZZACHSA-N 2 2 222.292 0.127 10 0 BCAELP Cc1c(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cnn1C ZINC000235327508 388367712 /nfs/dbraw/zinc/36/77/12/388367712.db2.gz NVLROEAPCACTIN-KCJUWKMLSA-N 2 2 208.309 0.508 10 0 BCAELP Cc1c(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cnn1C ZINC000235327508 388367716 /nfs/dbraw/zinc/36/77/16/388367716.db2.gz NVLROEAPCACTIN-KCJUWKMLSA-N 2 2 208.309 0.508 10 0 BCAELP Cc1nn(C)cc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235677339 388374775 /nfs/dbraw/zinc/37/47/75/388374775.db2.gz XXNWTLANMIDMHO-KWQFWETISA-N 2 2 208.309 0.508 10 0 BCAELP Cc1nn(C)cc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235677339 388374776 /nfs/dbraw/zinc/37/47/76/388374776.db2.gz XXNWTLANMIDMHO-KWQFWETISA-N 2 2 208.309 0.508 10 0 BCAELP Cc1cc[nH+]c(N2CC[NH+](C)CC2)c1N ZINC000036250489 132341426 /nfs/dbraw/zinc/34/14/26/132341426.db2.gz RENVQEBRJRFDLS-UHFFFAOYSA-N 2 2 206.293 0.724 10 0 BCAELP CN1c2ccccc2[C@@H]([NH2+]CC[NH3+])CC1=O ZINC000037713032 132344952 /nfs/dbraw/zinc/34/49/52/132344952.db2.gz DBFCVCXTSVWNFV-JTQLQIEISA-N 2 2 219.288 0.643 10 0 BCAELP Cc1cccc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000037670382 132344963 /nfs/dbraw/zinc/34/49/63/132344963.db2.gz LMXDUASXTXLMCA-UHFFFAOYSA-N 2 2 234.347 0.861 10 0 BCAELP CNc1nc(N2CC[NH+](C)CC2)[nH+]c2c1CCC2 ZINC000050847653 132359521 /nfs/dbraw/zinc/35/95/21/132359521.db2.gz RFMRGPJWWFUCLL-UHFFFAOYSA-N 2 2 247.346 0.759 10 0 BCAELP Cc1cc(N2C[C@@H](C)[NH2+][C@H](C)C2)nc[nH+]1 ZINC000053712461 132363595 /nfs/dbraw/zinc/36/35/95/132363595.db2.gz QMYYIGVVHMDTQB-NXEZZACHSA-N 2 2 206.293 0.972 10 0 BCAELP [NH3+]Cc1ccc(N2CCn3cc[nH+]c3C2)nc1 ZINC000062245205 132387700 /nfs/dbraw/zinc/38/77/00/132387700.db2.gz DPXFKKWYFSIXAR-UHFFFAOYSA-N 2 2 229.287 0.757 10 0 BCAELP Cc1nccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)n1 ZINC000227934462 134399338 /nfs/dbraw/zinc/39/93/38/134399338.db2.gz LCALDAROTMPMHZ-GFCCVEGCSA-N 2 2 238.335 0.187 10 0 BCAELP CC(C)[NH2+]CC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252851929 135112557 /nfs/dbraw/zinc/11/25/57/135112557.db2.gz FYLULRACTGYZMK-SDDRHHMPSA-N 2 2 212.337 0.687 10 0 BCAELP CC(C)[NH2+]CC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252851929 135112559 /nfs/dbraw/zinc/11/25/59/135112559.db2.gz FYLULRACTGYZMK-SDDRHHMPSA-N 2 2 212.337 0.687 10 0 BCAELP CCC[C@@](C)([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000261534562 135167972 /nfs/dbraw/zinc/16/79/72/135167972.db2.gz MOTYBZJAWCLQDK-SECBINFHSA-N 2 2 215.322 0.723 10 0 BCAELP C[C@H]1CCN(Cc2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000261534997 135169155 /nfs/dbraw/zinc/16/91/55/135169155.db2.gz VKFXQYYJHKKHDF-QWRGUYRKSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]1CCCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261537644 135175148 /nfs/dbraw/zinc/17/51/48/135175148.db2.gz VYJNLJYEFMPGMI-QMMMGPOBSA-N 2 2 210.281 0.903 10 0 BCAELP C[C@H]1CCCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261537644 135175149 /nfs/dbraw/zinc/17/51/49/135175149.db2.gz VYJNLJYEFMPGMI-QMMMGPOBSA-N 2 2 210.281 0.903 10 0 BCAELP COC[C@@]1(CNc2cc[nH+]c(C)n2)CCC[NH2+]1 ZINC000261545155 135186774 /nfs/dbraw/zinc/18/67/74/135186774.db2.gz FRUHFNAGKYVAQH-LBPRGKRZSA-N 2 2 236.319 0.966 10 0 BCAELP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550933 135189754 /nfs/dbraw/zinc/18/97/54/135189754.db2.gz LPDAONJGWBZTDJ-QWRGUYRKSA-N 2 2 241.379 0.960 10 0 BCAELP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550933 135189757 /nfs/dbraw/zinc/18/97/57/135189757.db2.gz LPDAONJGWBZTDJ-QWRGUYRKSA-N 2 2 241.379 0.960 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550932 135190013 /nfs/dbraw/zinc/19/00/13/135190013.db2.gz LPDAONJGWBZTDJ-MNOVXSKESA-N 2 2 241.379 0.960 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550932 135190017 /nfs/dbraw/zinc/19/00/17/135190017.db2.gz LPDAONJGWBZTDJ-MNOVXSKESA-N 2 2 241.379 0.960 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261554564 135194167 /nfs/dbraw/zinc/19/41/67/135194167.db2.gz OYPXAMKJFJWJFK-LLVKDONJSA-N 2 2 241.379 0.912 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261554564 135194169 /nfs/dbraw/zinc/19/41/69/135194169.db2.gz OYPXAMKJFJWJFK-LLVKDONJSA-N 2 2 241.379 0.912 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@H]12 ZINC000261555358 135195177 /nfs/dbraw/zinc/19/51/77/135195177.db2.gz BKCJUIYCWXWEKI-JMJZKYOTSA-N 2 2 248.334 0.177 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@H]12 ZINC000261555358 135195178 /nfs/dbraw/zinc/19/51/78/135195178.db2.gz BKCJUIYCWXWEKI-JMJZKYOTSA-N 2 2 248.334 0.177 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]12 ZINC000261555355 135195189 /nfs/dbraw/zinc/19/51/89/135195189.db2.gz BKCJUIYCWXWEKI-DVVUODLYSA-N 2 2 248.334 0.177 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]12 ZINC000261555355 135195191 /nfs/dbraw/zinc/19/51/91/135195191.db2.gz BKCJUIYCWXWEKI-DVVUODLYSA-N 2 2 248.334 0.177 10 0 BCAELP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000261562066 135203776 /nfs/dbraw/zinc/20/37/76/135203776.db2.gz VZHSIHWXEWWYME-DGCLKSJQSA-N 2 2 234.347 0.912 10 0 BCAELP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000261562066 135203777 /nfs/dbraw/zinc/20/37/77/135203777.db2.gz VZHSIHWXEWWYME-DGCLKSJQSA-N 2 2 234.347 0.912 10 0 BCAELP Cc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000261571745 135214101 /nfs/dbraw/zinc/21/41/01/135214101.db2.gz HUTAGUYJDSHVNS-AXFHLTTASA-N 2 2 218.304 0.959 10 0 BCAELP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261576023 135217729 /nfs/dbraw/zinc/21/77/29/135217729.db2.gz KAZNFVAKJOAENJ-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261576023 135217730 /nfs/dbraw/zinc/21/77/30/135217730.db2.gz KAZNFVAKJOAENJ-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP CC[N@H+](Cc1noc(C[NH3+])n1)C1CCC1 ZINC000261577644 135219135 /nfs/dbraw/zinc/21/91/35/135219135.db2.gz LGGWNJWTSQAXCN-UHFFFAOYSA-N 2 2 210.281 0.903 10 0 BCAELP CC[N@@H+](Cc1noc(C[NH3+])n1)C1CCC1 ZINC000261577644 135219136 /nfs/dbraw/zinc/21/91/36/135219136.db2.gz LGGWNJWTSQAXCN-UHFFFAOYSA-N 2 2 210.281 0.903 10 0 BCAELP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000261591978 135233044 /nfs/dbraw/zinc/23/30/44/135233044.db2.gz VPRIEWJEJYXFAQ-MNOVXSKESA-N 2 2 218.304 0.973 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]12 ZINC000261598094 135236842 /nfs/dbraw/zinc/23/68/42/135236842.db2.gz ZKRLMILRFPJGBV-INTQDDNPSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]12 ZINC000261598094 135236844 /nfs/dbraw/zinc/23/68/44/135236844.db2.gz ZKRLMILRFPJGBV-INTQDDNPSA-N 2 2 207.277 0.844 10 0 BCAELP C[N@H+](Cc1cc[nH]n1)[C@@H]1CCC[NH2+]CC1 ZINC000261546846 135239706 /nfs/dbraw/zinc/23/97/06/135239706.db2.gz LIXKOWHSAQNJMX-LLVKDONJSA-N 2 2 208.309 0.984 10 0 BCAELP C[N@@H+](Cc1cc[nH]n1)[C@@H]1CCC[NH2+]CC1 ZINC000261546846 135239708 /nfs/dbraw/zinc/23/97/08/135239708.db2.gz LIXKOWHSAQNJMX-LLVKDONJSA-N 2 2 208.309 0.984 10 0 BCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1F ZINC000262165105 135283005 /nfs/dbraw/zinc/28/30/05/135283005.db2.gz UFYOBXYODPNSKO-ZYHUDNBSSA-N 2 2 224.279 0.496 10 0 BCAELP CCc1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262188952 135284348 /nfs/dbraw/zinc/28/43/48/135284348.db2.gz YEVIBOPIGLRTDW-SCZZXKLOSA-N 2 2 241.360 0.375 10 0 BCAELP Cc1nc(C[C@@H]2CCC[N@H+](CC[NH3+])C2)no1 ZINC000262735205 135315295 /nfs/dbraw/zinc/31/52/95/135315295.db2.gz CBXPSXKAPSIHDW-JTQLQIEISA-N 2 2 224.308 0.591 10 0 BCAELP Cc1nc(C[C@@H]2CCC[N@@H+](CC[NH3+])C2)no1 ZINC000262735205 135315297 /nfs/dbraw/zinc/31/52/97/135315297.db2.gz CBXPSXKAPSIHDW-JTQLQIEISA-N 2 2 224.308 0.591 10 0 BCAELP Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000262934904 135323789 /nfs/dbraw/zinc/32/37/89/135323789.db2.gz IFPBFFZWHWNSGG-GFCCVEGCSA-N 2 2 237.351 0.566 10 0 BCAELP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000262934904 135323791 /nfs/dbraw/zinc/32/37/91/135323791.db2.gz IFPBFFZWHWNSGG-GFCCVEGCSA-N 2 2 237.351 0.566 10 0 BCAELP C[C@@]([NH3+])(C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000080626237 135383326 /nfs/dbraw/zinc/38/33/26/135383326.db2.gz XNWIBMYDEFJVSQ-ZDUSSCGKSA-N 2 2 244.298 0.900 10 0 BCAELP C[C@@H]1OCC[C@]1(C[NH3+])[NH+]1CCSCC1 ZINC000134405460 397951496 /nfs/dbraw/zinc/95/14/96/397951496.db2.gz BPPICVYOSSFUFD-VHSXEESVSA-N 2 2 216.350 0.542 10 0 BCAELP CCc1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000383693720 398033359 /nfs/dbraw/zinc/03/33/59/398033359.db2.gz QYJKMVKFAZHNQM-LPEHRKFASA-N 2 2 236.319 0.801 10 0 BCAELP CCc1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000383693720 398033364 /nfs/dbraw/zinc/03/33/64/398033364.db2.gz QYJKMVKFAZHNQM-LPEHRKFASA-N 2 2 236.319 0.801 10 0 BCAELP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000649588401 397980211 /nfs/dbraw/zinc/98/02/11/397980211.db2.gz MHBOJQMOTCNZNU-RWMBFGLXSA-N 2 2 242.363 0.864 10 0 BCAELP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000649588401 397980214 /nfs/dbraw/zinc/98/02/14/397980214.db2.gz MHBOJQMOTCNZNU-RWMBFGLXSA-N 2 2 242.363 0.864 10 0 BCAELP CC(C)[NH2+]CCN(C)Cc1[nH+]ccn1C ZINC000062251567 167104178 /nfs/dbraw/zinc/10/41/78/167104178.db2.gz ZOHAHDQRNZWWLO-UHFFFAOYSA-N 2 2 210.325 0.850 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000393000359 410286509 /nfs/dbraw/zinc/28/65/09/410286509.db2.gz SJNRBQNVHAEARF-GARJFASQSA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000393000359 410286519 /nfs/dbraw/zinc/28/65/19/410286519.db2.gz SJNRBQNVHAEARF-GARJFASQSA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCC[NH2+]C1 ZINC000650759124 410407345 /nfs/dbraw/zinc/40/73/45/410407345.db2.gz DOCQETBPUBGNKS-NXEZZACHSA-N 2 2 223.324 0.293 10 0 BCAELP C[C@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCC[NH2+]C1 ZINC000650759125 410407726 /nfs/dbraw/zinc/40/77/26/410407726.db2.gz DOCQETBPUBGNKS-UWVGGRQHSA-N 2 2 223.324 0.293 10 0 BCAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000395339005 410847208 /nfs/dbraw/zinc/84/72/08/410847208.db2.gz YLLLICCWQHXXSD-MXWKQRLJSA-N 2 2 200.326 0.687 10 0 BCAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000395339005 410847212 /nfs/dbraw/zinc/84/72/12/410847212.db2.gz YLLLICCWQHXXSD-MXWKQRLJSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)NC(=[NH2+])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062985253 167034860 /nfs/dbraw/zinc/03/48/60/167034860.db2.gz DCKQNUGWVNYGDJ-LLVKDONJSA-N 2 2 240.351 0.326 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1cccnc1 ZINC000036771050 167111009 /nfs/dbraw/zinc/11/10/09/167111009.db2.gz ADKGJBZOAGOJON-CYBMUJFWSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1cccnc1 ZINC000036771050 167111012 /nfs/dbraw/zinc/11/10/12/167111012.db2.gz ADKGJBZOAGOJON-CYBMUJFWSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CC1 ZINC000049307609 167372529 /nfs/dbraw/zinc/37/25/29/167372529.db2.gz MCDQFWMOHWPMBE-LLVKDONJSA-N 2 2 241.379 0.960 10 0 BCAELP CC(C)[C@@H](C)NC(=O)C[N@@H+](CCC[NH3+])C1CC1 ZINC000049307609 167372532 /nfs/dbraw/zinc/37/25/32/167372532.db2.gz MCDQFWMOHWPMBE-LLVKDONJSA-N 2 2 241.379 0.960 10 0 BCAELP CN(Cc1[nH+]ccn1C)[C@@H]1CCC[NH2+]CC1 ZINC000082666898 411151707 /nfs/dbraw/zinc/15/17/07/411151707.db2.gz SQSWPXXWBOXDLY-LLVKDONJSA-N 2 2 222.336 0.994 10 0 BCAELP CCO[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C[NH3+] ZINC000405194618 411187191 /nfs/dbraw/zinc/18/71/91/411187191.db2.gz AAOAXUUOJNDZMF-GHMZBOCLSA-N 2 2 236.319 0.585 10 0 BCAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645756 411271271 /nfs/dbraw/zinc/27/12/71/411271271.db2.gz INOUABIJTORQGO-RKDXNWHRSA-N 2 2 222.292 0.224 10 0 BCAELP Nc1cc([C@@H]2CN(CC[NH3+])CCCO2)cc[nH+]1 ZINC000616680058 411287484 /nfs/dbraw/zinc/28/74/84/411287484.db2.gz MENONUSXUKLYGH-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP Nc1cc([C@@H]2CCC[N@H+](CC[NH3+])C2)[nH]n1 ZINC000616620605 411287610 /nfs/dbraw/zinc/28/76/10/411287610.db2.gz LVPPZGBGFQLHRO-MRVPVSSYSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1cc([C@@H]2CCC[N@@H+](CC[NH3+])C2)[nH]n1 ZINC000616620605 411287614 /nfs/dbraw/zinc/28/76/14/411287614.db2.gz LVPPZGBGFQLHRO-MRVPVSSYSA-N 2 2 209.297 0.130 10 0 BCAELP CC(C)([NH3+])CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000071137287 411326352 /nfs/dbraw/zinc/32/63/52/411326352.db2.gz MWLCPGXBEMGYTJ-NSHDSACASA-N 2 2 227.352 0.130 10 0 BCAELP CC(C)([NH3+])C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071137287 411326354 /nfs/dbraw/zinc/32/63/54/411326354.db2.gz MWLCPGXBEMGYTJ-NSHDSACASA-N 2 2 227.352 0.130 10 0 BCAELP CC(C)([NH3+])C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000071137287 411326356 /nfs/dbraw/zinc/32/63/56/411326356.db2.gz MWLCPGXBEMGYTJ-NSHDSACASA-N 2 2 227.352 0.130 10 0 BCAELP Cc1cccn2cc(Cn3cc(C[NH3+])nn3)[nH+]c12 ZINC000050224911 411254131 /nfs/dbraw/zinc/25/41/31/411254131.db2.gz FXBUMXFVSGUCPA-UHFFFAOYSA-N 2 2 242.286 0.741 10 0 BCAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(N)=O ZINC000309814416 411257294 /nfs/dbraw/zinc/25/72/94/411257294.db2.gz NTTPRTWCNLSLMO-LBPRGKRZSA-N 2 2 249.358 0.972 10 0 BCAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(N)=O ZINC000309814416 411257298 /nfs/dbraw/zinc/25/72/98/411257298.db2.gz NTTPRTWCNLSLMO-LBPRGKRZSA-N 2 2 249.358 0.972 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCCc1[nH]cc[nH+]1 ZINC000125145487 411349736 /nfs/dbraw/zinc/34/97/36/411349736.db2.gz VXZAFNIGBHSKAE-VIFPVBQESA-N 2 2 224.308 0.442 10 0 BCAELP CCNC(=O)C[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000049728220 170055230 /nfs/dbraw/zinc/05/52/30/170055230.db2.gz LEPRJMNYNDMTRJ-QWRGUYRKSA-N 2 2 227.352 0.714 10 0 BCAELP CCNC(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000049728220 170055232 /nfs/dbraw/zinc/05/52/32/170055232.db2.gz LEPRJMNYNDMTRJ-QWRGUYRKSA-N 2 2 227.352 0.714 10 0 BCAELP CCNC(=O)C[NH2+]CCC[NH+](CC)CC ZINC000020052115 170064521 /nfs/dbraw/zinc/06/45/21/170064521.db2.gz SJENEGBNLWCUEP-UHFFFAOYSA-N 2 2 215.341 0.444 10 0 BCAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCNC1=O ZINC000657525355 411543270 /nfs/dbraw/zinc/54/32/70/411543270.db2.gz YLBOYASITOIIJV-SNVBAGLBSA-N 2 2 222.292 0.442 10 0 BCAELP CCNC(=O)N1CC[NH+]([C@H](CC)CC[NH3+])CC1 ZINC000037039431 170074629 /nfs/dbraw/zinc/07/46/29/170074629.db2.gz BGYKIDLBJVFJAS-LLVKDONJSA-N 2 2 242.367 0.461 10 0 BCAELP CC[NH2+]C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000050530792 170108909 /nfs/dbraw/zinc/10/89/09/170108909.db2.gz ZITZDGKHALKVQQ-UHFFFAOYSA-N 2 2 222.336 0.994 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000037469358 170109109 /nfs/dbraw/zinc/10/91/09/170109109.db2.gz ZQQCMLOIWCXJOB-SNVBAGLBSA-N 2 2 227.352 0.537 10 0 BCAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC000054627984 170109803 /nfs/dbraw/zinc/10/98/03/170109803.db2.gz SYXNUXRLIXITBA-FGWVZKOKSA-N 2 2 225.336 0.337 10 0 BCAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC000054627984 170109804 /nfs/dbraw/zinc/10/98/04/170109804.db2.gz SYXNUXRLIXITBA-FGWVZKOKSA-N 2 2 225.336 0.337 10 0 BCAELP CC[NH2+]CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254488 170112080 /nfs/dbraw/zinc/11/20/80/170112080.db2.gz NCMZHSSJVAZZPR-UHFFFAOYSA-N 2 2 222.292 0.225 10 0 BCAELP CC[NH2+]C[C@@H]1CCCN1CC[NH+]1CCOCC1 ZINC000053648477 170119905 /nfs/dbraw/zinc/11/99/05/170119905.db2.gz MVSLVYGSJWYVPL-ZDUSSCGKSA-N 2 2 241.379 0.393 10 0 BCAELP OCC1CC([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657810441 411602911 /nfs/dbraw/zinc/60/29/11/411602911.db2.gz BQUGYVIMTMVWSO-UHFFFAOYSA-N 2 2 221.304 0.690 10 0 BCAELP CC[C@@H]1CN(CCCn2cc[nH+]c2)CC[NH2+]1 ZINC000082925200 171081691 /nfs/dbraw/zinc/08/16/91/171081691.db2.gz XIESHEKFIDBOQZ-GFCCVEGCSA-N 2 2 222.336 0.957 10 0 BCAELP CC[C@@H]1C[NH2+]CCN1CC[NH+]1CCOCC1 ZINC000082476539 171100816 /nfs/dbraw/zinc/10/08/16/171100816.db2.gz GJYBDXSRKBJHLI-GFCCVEGCSA-N 2 2 227.352 0.002 10 0 BCAELP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000237057191 171369316 /nfs/dbraw/zinc/36/93/16/171369316.db2.gz DFJHDFNRQWXLKA-NKWVEPMBSA-N 2 2 215.322 0.579 10 0 BCAELP CN(C)C(=O)CC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000037751801 172360103 /nfs/dbraw/zinc/36/01/03/172360103.db2.gz YIXPMPOVEVITKU-NSHDSACASA-N 2 2 225.336 0.149 10 0 BCAELP CN(C)C(=O)CC[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000037751800 172360899 /nfs/dbraw/zinc/36/08/99/172360899.db2.gz YIXPMPOVEVITKU-LLVKDONJSA-N 2 2 225.336 0.149 10 0 BCAELP C[NH+](C)CCC[NH2+]CC(=O)N1CCCCCC1 ZINC000020054204 172438769 /nfs/dbraw/zinc/43/87/69/172438769.db2.gz IWRPOBHDEZPYGG-UHFFFAOYSA-N 2 2 241.379 0.930 10 0 BCAELP C[N@@H+]1CCC[C@@H]1CCOc1nccnc1C(N)=[NH2+] ZINC000054380929 173027317 /nfs/dbraw/zinc/02/73/17/173027317.db2.gz FISXGXALVNYFDX-SECBINFHSA-N 2 2 249.318 0.624 10 0 BCAELP C[N@H+]1CCC[C@@H]1CCOc1nccnc1C(N)=[NH2+] ZINC000054380929 173027318 /nfs/dbraw/zinc/02/73/18/173027318.db2.gz FISXGXALVNYFDX-SECBINFHSA-N 2 2 249.318 0.624 10 0 BCAELP C[NH+]1CCN(CCNc2ccc(N)[nH+]c2)CC1 ZINC000037759576 173081329 /nfs/dbraw/zinc/08/13/29/173081329.db2.gz JPLMXXJATZIWBQ-UHFFFAOYSA-N 2 2 235.335 0.323 10 0 BCAELP CN1CC[NH+](Cc2cccc(C(=[NH2+])NO)c2)CC1 ZINC000019474243 173087629 /nfs/dbraw/zinc/08/76/29/173087629.db2.gz XCLUKPBATQWNHM-UHFFFAOYSA-N 2 2 248.330 0.738 10 0 BCAELP C[NH+]1CCN(Cc2ccoc2C[NH3+])CC1 ZINC000052379358 173090386 /nfs/dbraw/zinc/09/03/86/173090386.db2.gz KPSWFTZMRCRMJS-UHFFFAOYSA-N 2 2 209.293 0.486 10 0 BCAELP CN1CC[NH+](Cc2ccoc2C[NH3+])CC1 ZINC000052379358 173090390 /nfs/dbraw/zinc/09/03/90/173090390.db2.gz KPSWFTZMRCRMJS-UHFFFAOYSA-N 2 2 209.293 0.486 10 0 BCAELP C[NH+]1CCN([C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037157165 173092787 /nfs/dbraw/zinc/09/27/87/173092787.db2.gz BHTFXWJZHCTUNF-NWDGAFQWSA-N 2 2 211.353 0.751 10 0 BCAELP C[NH+]1CCN([C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000037157167 173095185 /nfs/dbraw/zinc/09/51/85/173095185.db2.gz BHTFXWJZHCTUNF-RYUDHWBXSA-N 2 2 211.353 0.751 10 0 BCAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccncn2)C1 ZINC000054789577 173147333 /nfs/dbraw/zinc/14/73/33/173147333.db2.gz VHSJWYTWUXOOBC-SNVBAGLBSA-N 2 2 206.293 0.518 10 0 BCAELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccncn2)C1 ZINC000054789577 173147334 /nfs/dbraw/zinc/14/73/34/173147334.db2.gz VHSJWYTWUXOOBC-SNVBAGLBSA-N 2 2 206.293 0.518 10 0 BCAELP CNC(=O)C1CC[NH+](CC[NH2+]C(C)C)CC1 ZINC000043500946 173224842 /nfs/dbraw/zinc/22/48/42/173224842.db2.gz AUILRGUIHAJPKN-UHFFFAOYSA-N 2 2 227.352 0.442 10 0 BCAELP C[NH2+]C1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000044994780 173322893 /nfs/dbraw/zinc/32/28/93/173322893.db2.gz NCBBVPUBPXBUTN-UHFFFAOYSA-N 2 2 220.320 0.969 10 0 BCAELP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NC(C)C)CC1 ZINC000037469313 173324351 /nfs/dbraw/zinc/32/43/51/173324351.db2.gz VLPHGHMUHDIFIN-SNVBAGLBSA-N 2 2 227.352 0.583 10 0 BCAELP C[NH2+]CC[C@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654857 173358413 /nfs/dbraw/zinc/35/84/13/173358413.db2.gz BBHKAVSAELBVBB-ZDUSSCGKSA-N 3 2 242.411 0.164 10 0 BCAELP C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000071143879 173369798 /nfs/dbraw/zinc/36/97/98/173369798.db2.gz MITBTEKRTYOWTL-NSHDSACASA-N 2 2 236.319 0.341 10 0 BCAELP C[NH2+]C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000071148227 173371070 /nfs/dbraw/zinc/37/10/70/173371070.db2.gz TUVDTYHTJZCDOL-VIFPVBQESA-N 2 2 246.318 0.409 10 0 BCAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCCOCC1 ZINC000061936208 173373374 /nfs/dbraw/zinc/37/33/74/173373374.db2.gz RDGNBUHHZPQWLH-LLVKDONJSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCCOCC1 ZINC000061936208 173373376 /nfs/dbraw/zinc/37/33/76/173373376.db2.gz RDGNBUHHZPQWLH-LLVKDONJSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H]1CC[N@H+](Cc2ccnc(C)n2)C1 ZINC000053034030 173381584 /nfs/dbraw/zinc/38/15/84/173381584.db2.gz IHWUBZMNGUBFET-LLVKDONJSA-N 2 2 220.320 0.826 10 0 BCAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000053034030 173381586 /nfs/dbraw/zinc/38/15/86/173381586.db2.gz IHWUBZMNGUBFET-LLVKDONJSA-N 2 2 220.320 0.826 10 0 BCAELP C[NH2+]Cc1ccoc1C[NH+]1CCOCC1 ZINC000052377751 173391239 /nfs/dbraw/zinc/39/12/39/173391239.db2.gz UYOXIWAAWAAEFU-UHFFFAOYSA-N 2 2 210.277 0.831 10 0 BCAELP COCC[NH+](CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042442994 174295857 /nfs/dbraw/zinc/29/58/57/174295857.db2.gz QNVBRJOLRARDEX-LBPRGKRZSA-N 2 2 230.352 0.723 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])cc(F)c1O ZINC000072200560 175014019 /nfs/dbraw/zinc/01/40/19/175014019.db2.gz UZUXWGKACHFPGO-ZETCQYMHSA-N 2 2 200.213 0.498 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])cc2c1OCO2 ZINC000044469421 175014404 /nfs/dbraw/zinc/01/44/04/175014404.db2.gz YYHAKWOOLGMETR-ZETCQYMHSA-N 2 2 210.233 0.382 10 0 BCAELP COc1cc([C@H]([NH3+])C[NH3+])cc(F)c1O ZINC000072200559 175017017 /nfs/dbraw/zinc/01/70/17/175017017.db2.gz UZUXWGKACHFPGO-SSDOTTSWSA-N 2 2 200.213 0.498 10 0 BCAELP C[C@@H]1CCC[NH2+][C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000051791988 176112584 /nfs/dbraw/zinc/11/25/84/176112584.db2.gz LFMQBDCAOWQFGP-GHMZBOCLSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062256680 176195096 /nfs/dbraw/zinc/19/50/96/176195096.db2.gz QQBPAHXLRDBEBM-GHMZBOCLSA-N 2 2 248.330 0.613 10 0 BCAELP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438594 176221908 /nfs/dbraw/zinc/22/19/08/176221908.db2.gz NCYUOIGLPBZHNU-NOOOWODRSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438594 176221910 /nfs/dbraw/zinc/22/19/10/176221910.db2.gz NCYUOIGLPBZHNU-NOOOWODRSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@@H]1C[NH+](Cc2cc(C[NH3+])no2)C[C@@H](C)O1 ZINC000052380607 176300916 /nfs/dbraw/zinc/30/09/16/176300916.db2.gz FSMGRSNOAIJHPW-RKDXNWHRSA-N 2 2 225.292 0.743 10 0 BCAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052176530 176315498 /nfs/dbraw/zinc/31/54/98/176315498.db2.gz NNAAMUDXSKZAMH-PWSUYJOCSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052176530 176315496 /nfs/dbraw/zinc/31/54/96/176315496.db2.gz NNAAMUDXSKZAMH-PWSUYJOCSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000022214919 176315573 /nfs/dbraw/zinc/31/55/73/176315573.db2.gz YXHORAQDEFIIMO-KKOKHZNYSA-N 2 2 228.336 0.459 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCS(C)(=O)=O)C1 ZINC000049662710 176328579 /nfs/dbraw/zinc/32/85/79/176328579.db2.gz SHEDWUOXJUZJPQ-GHMZBOCLSA-N 2 2 248.392 0.208 10 0 BCAELP C[C@@H]1COCC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052475970 176337808 /nfs/dbraw/zinc/33/78/08/176337808.db2.gz OPROWQOIGMPJFO-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1COCC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052475970 176337810 /nfs/dbraw/zinc/33/78/10/176337810.db2.gz OPROWQOIGMPJFO-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[C@@H]1CN(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000104413598 176392056 /nfs/dbraw/zinc/39/20/56/176392056.db2.gz SLZWVNPSSMCVIL-YRGRVCCFSA-N 2 2 237.391 0.997 10 0 BCAELP C[C@H]1CC[N@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000224848353 177161518 /nfs/dbraw/zinc/16/15/18/177161518.db2.gz QQRGZZUQSFSFNM-NWDGAFQWSA-N 2 2 222.336 0.942 10 0 BCAELP C[C@H]1CC[N@@H+](CCn2cccn2)[C@@H](C[NH3+])C1 ZINC000224848353 177161519 /nfs/dbraw/zinc/16/15/19/177161519.db2.gz QQRGZZUQSFSFNM-NWDGAFQWSA-N 2 2 222.336 0.942 10 0 BCAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCOCC2)CCO1 ZINC000036304795 177240118 /nfs/dbraw/zinc/24/01/18/177240118.db2.gz IPWVXFREPLNKEW-JTQLQIEISA-N 2 2 214.309 0.215 10 0 BCAELP C[C@H]1C[N@H+](C2(C[NH3+])CCOCC2)CCO1 ZINC000036304795 177240119 /nfs/dbraw/zinc/24/01/19/177240119.db2.gz IPWVXFREPLNKEW-JTQLQIEISA-N 2 2 214.309 0.215 10 0 BCAELP C[C@H]1C[NH+](C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000036304781 177241225 /nfs/dbraw/zinc/24/12/25/177241225.db2.gz FSVTZBRAAJUWOZ-QWRGUYRKSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@H]1C[N@@H+](C2CCS(=O)(=O)CC2)CC[C@@H]1[NH3+] ZINC000049711437 177242909 /nfs/dbraw/zinc/24/29/09/177242909.db2.gz KDBFUNXKEKCRMM-ONGXEEELSA-N 2 2 246.376 0.233 10 0 BCAELP C[C@H]1C[N@H+](C2CCS(=O)(=O)CC2)CC[C@@H]1[NH3+] ZINC000049711437 177242911 /nfs/dbraw/zinc/24/29/11/177242911.db2.gz KDBFUNXKEKCRMM-ONGXEEELSA-N 2 2 246.376 0.233 10 0 BCAELP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365166 177259733 /nfs/dbraw/zinc/25/97/33/177259733.db2.gz DPCQEHAZQVLCCE-CMPLNLGQSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCS1 ZINC000309365166 177259735 /nfs/dbraw/zinc/25/97/35/177259735.db2.gz DPCQEHAZQVLCCE-CMPLNLGQSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCS1 ZINC000309365166 177259737 /nfs/dbraw/zinc/25/97/37/177259737.db2.gz DPCQEHAZQVLCCE-CMPLNLGQSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCS1 ZINC000309365166 177259739 /nfs/dbraw/zinc/25/97/39/177259739.db2.gz DPCQEHAZQVLCCE-CMPLNLGQSA-N 2 2 244.404 0.879 10 0 BCAELP C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000271563839 177271976 /nfs/dbraw/zinc/27/19/76/177271976.db2.gz NTAIFVHYYZPQTO-UWVGGRQHSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])[C@@H]2CCOC2)C[C@H](C)O1 ZINC000022214922 177273629 /nfs/dbraw/zinc/27/36/29/177273629.db2.gz YXHORAQDEFIIMO-KXNHARMFSA-N 2 2 228.336 0.459 10 0 BCAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])[C@@H]2CCOC2)C[C@H](C)O1 ZINC000022214922 177273630 /nfs/dbraw/zinc/27/36/30/177273630.db2.gz YXHORAQDEFIIMO-KXNHARMFSA-N 2 2 228.336 0.459 10 0 BCAELP C[C@H]1C[N@@H+]([C@]2(C[NH3+])CCSC2)CCCO1 ZINC000061916204 177276159 /nfs/dbraw/zinc/27/61/59/177276159.db2.gz HSMQHRXNXLFLJN-QWRGUYRKSA-N 2 2 230.377 0.932 10 0 BCAELP C[C@H]1C[N@H+]([C@]2(C[NH3+])CCSC2)CCCO1 ZINC000061916204 177276161 /nfs/dbraw/zinc/27/61/61/177276161.db2.gz HSMQHRXNXLFLJN-QWRGUYRKSA-N 2 2 230.377 0.932 10 0 BCAELP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000335593662 177395171 /nfs/dbraw/zinc/39/51/71/177395171.db2.gz JXVWRTWKASDCRA-BDAKNGLRSA-N 2 2 222.292 0.414 10 0 BCAELP CCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000328445294 487665854 /nfs/dbraw/zinc/66/58/54/487665854.db2.gz BRNJCHWDLASQCG-LBPRGKRZSA-N 2 2 242.363 0.602 10 0 BCAELP CCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000328445294 487665862 /nfs/dbraw/zinc/66/58/62/487665862.db2.gz BRNJCHWDLASQCG-LBPRGKRZSA-N 2 2 242.363 0.602 10 0 BCAELP Cc1c(C[NH2+]C[C@H]2CCCC[NH2+]2)cnn1C ZINC000226302425 487707607 /nfs/dbraw/zinc/70/76/07/487707607.db2.gz PHSHFIRLOPEIAK-GFCCVEGCSA-N 2 2 222.336 0.960 10 0 BCAELP Cc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)c(C)[nH+]1 ZINC000649301713 487728373 /nfs/dbraw/zinc/72/83/73/487728373.db2.gz PWVOEZBISYIYEM-NSHDSACASA-N 2 2 249.314 0.873 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089463206 487822986 /nfs/dbraw/zinc/82/29/86/487822986.db2.gz HFHLTVZTPBQXQE-UWVGGRQHSA-N 2 2 236.319 0.743 10 0 BCAELP C[C@@H](O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000235300558 487940661 /nfs/dbraw/zinc/94/06/61/487940661.db2.gz RHSMZNAEMATHNN-PWSUYJOCSA-N 2 2 228.336 0.068 10 0 BCAELP Cc1cc(NC[C@@H]2COCC[NH2+]2)nc[nH+]1 ZINC000235904391 488029429 /nfs/dbraw/zinc/02/94/29/488029429.db2.gz CVIOPHISELAVLY-SECBINFHSA-N 2 2 208.265 0.185 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1[nH+]ccn1C ZINC000148573526 488103715 /nfs/dbraw/zinc/10/37/15/488103715.db2.gz INZOFGOSKRXQQT-SNVBAGLBSA-N 2 2 238.335 0.752 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085013737 488122284 /nfs/dbraw/zinc/12/22/84/488122284.db2.gz BRNUSZXLFZVXCN-BDAKNGLRSA-N 2 2 222.292 0.496 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013743 488122718 /nfs/dbraw/zinc/12/27/18/488122718.db2.gz BRNUSZXLFZVXCN-RKDXNWHRSA-N 2 2 222.292 0.496 10 0 BCAELP O=C(C[C@@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000084081106 490365415 /nfs/dbraw/zinc/36/54/15/490365415.db2.gz STKAEVJLWFKMQE-VIFPVBQESA-N 2 2 222.292 0.416 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CSC1)C2 ZINC000307417318 491133493 /nfs/dbraw/zinc/13/34/93/491133493.db2.gz KDAITCMVMUXNBQ-ZETCQYMHSA-N 2 2 209.318 0.972 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CSC1)CC2 ZINC000307417318 491133494 /nfs/dbraw/zinc/13/34/94/491133494.db2.gz KDAITCMVMUXNBQ-ZETCQYMHSA-N 2 2 209.318 0.972 10 0 BCAELP OCC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309630214 491153181 /nfs/dbraw/zinc/15/31/81/491153181.db2.gz KCZSQRRHIBHLNY-NEPJUHHUSA-N 2 2 244.404 0.786 10 0 BCAELP OCC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309630214 491153182 /nfs/dbraw/zinc/15/31/82/491153182.db2.gz KCZSQRRHIBHLNY-NEPJUHHUSA-N 2 2 244.404 0.786 10 0 BCAELP CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1 ZINC000226071364 534628637 /nfs/dbraw/zinc/62/86/37/534628637.db2.gz DQEUWUHMLBXVJI-VHSXEESVSA-N 2 2 200.326 0.735 10 0 BCAELP C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000250605696 536416512 /nfs/dbraw/zinc/41/65/12/536416512.db2.gz LEQGRHSZRUNCSQ-DTWKUNHWSA-N 2 2 240.269 0.793 10 0 BCAELP C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000250605696 536416516 /nfs/dbraw/zinc/41/65/16/536416516.db2.gz LEQGRHSZRUNCSQ-DTWKUNHWSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@@H](O)C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000250605696 536416517 /nfs/dbraw/zinc/41/65/17/536416517.db2.gz LEQGRHSZRUNCSQ-DTWKUNHWSA-N 2 2 240.269 0.793 10 0 BCAELP C[NH+](C[C@@H](O)C(F)(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000250605696 536416522 /nfs/dbraw/zinc/41/65/22/536416522.db2.gz LEQGRHSZRUNCSQ-DTWKUNHWSA-N 2 2 240.269 0.793 10 0 BCAELP CNC(=O)c1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261958370 536424333 /nfs/dbraw/zinc/42/43/33/536424333.db2.gz GWPRCAQZEDKQEE-GWCFXTLKSA-N 2 2 247.342 0.825 10 0 BCAELP CNC(=O)c1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261958370 536424334 /nfs/dbraw/zinc/42/43/34/536424334.db2.gz GWPRCAQZEDKQEE-GWCFXTLKSA-N 2 2 247.342 0.825 10 0 BCAELP C[C@@H]1CC(C(N)=O)([NH+](C)C)C[C@@H](C)[NH+]1C ZINC000057354463 526219961 /nfs/dbraw/zinc/21/99/61/526219961.db2.gz QFNFVCSNLBKWJK-RKDXNWHRSA-N 2 2 213.325 0.275 10 0 BCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726981 535258804 /nfs/dbraw/zinc/25/88/04/535258804.db2.gz JUOFMTDZVJMFKO-GMTAPVOTSA-N 2 2 227.352 0.569 10 0 BCAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726981 535258810 /nfs/dbraw/zinc/25/88/10/535258810.db2.gz JUOFMTDZVJMFKO-GMTAPVOTSA-N 2 2 227.352 0.569 10 0 BCAELP C[NH+](C)CCN1CCN(c2[nH+]cccc2N)CC1 ZINC000035081368 535877734 /nfs/dbraw/zinc/87/77/34/535877734.db2.gz FZYHRGZMSCDXLG-UHFFFAOYSA-N 2 2 249.362 0.347 10 0 BCAELP NC(=O)[C@H]1CC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000757150608 582534750 /nfs/dbraw/zinc/53/47/50/582534750.db2.gz WMWPVGHRYGGIKI-SECBINFHSA-N 2 2 211.309 0.065 10 0 BCAELP NC(=O)[C@H]1CC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000757150608 582534751 /nfs/dbraw/zinc/53/47/51/582534751.db2.gz WMWPVGHRYGGIKI-SECBINFHSA-N 2 2 211.309 0.065 10 0 BCAELP [NH3+][C@@H]1C[NH2+]C[C@@H](c2ccc(C=O)s2)C1 ZINC000757218600 582561476 /nfs/dbraw/zinc/56/14/76/582561476.db2.gz VELHQQLEUVCRTM-YUMQZZPRSA-N 2 2 210.302 0.965 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000395114184 583042630 /nfs/dbraw/zinc/04/26/30/583042630.db2.gz KHSHUOGPZYQNAX-FRRDWIJNSA-N 2 2 242.363 0.600 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000395114184 583042632 /nfs/dbraw/zinc/04/26/32/583042632.db2.gz KHSHUOGPZYQNAX-FRRDWIJNSA-N 2 2 242.363 0.600 10 0 BCAELP [NH3+]C[C@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000757140748 586427654 /nfs/dbraw/zinc/42/76/54/586427654.db2.gz FKTOETXTAQBZEF-SECBINFHSA-N 2 2 204.277 0.891 10 0 BCAELP CCCCCn1c[nH+]c(C[C@H]([NH3+])CO)c1 ZINC000757190423 586435658 /nfs/dbraw/zinc/43/56/58/586435658.db2.gz PFAVPEDTCPUNIL-JTQLQIEISA-N 2 2 211.309 0.935 10 0 BCAELP CC[C@@H](C)Cn1c[nH+]c(C[C@@H]([NH3+])CO)c1 ZINC000757193254 586436407 /nfs/dbraw/zinc/43/64/07/586436407.db2.gz ZSDFTVCIYICNOQ-NXEZZACHSA-N 2 2 211.309 0.791 10 0 BCAELP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nc(N)[nH+]1 ZINC000110489911 588674432 /nfs/dbraw/zinc/67/44/32/588674432.db2.gz NZIABAXFWKHADQ-VIFPVBQESA-N 2 2 237.307 0.110 10 0 BCAELP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc(N)[nH+]1 ZINC000110489911 588674433 /nfs/dbraw/zinc/67/44/33/588674433.db2.gz NZIABAXFWKHADQ-VIFPVBQESA-N 2 2 237.307 0.110 10 0 BCAELP COC(=O)[C@H]([NH3+])Cn1c[nH+]c2c1CCCC2 ZINC000127392732 590636197 /nfs/dbraw/zinc/63/61/97/590636197.db2.gz ALEIMBWSIQUWRR-MRVPVSSYSA-N 2 2 223.276 0.262 10 0 BCAELP C[C@@H]1C[C@]([NH3+])(CC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000211633493 591208999 /nfs/dbraw/zinc/20/89/99/591208999.db2.gz RAZYONAFKOBSBO-RISCZKNCSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@@H]1C[C@]([NH3+])(CC(N)=O)C[N@H+]1Cc1ccccc1 ZINC000211633493 591209001 /nfs/dbraw/zinc/20/90/01/591209001.db2.gz RAZYONAFKOBSBO-RISCZKNCSA-N 2 2 247.342 0.854 10 0 BCAELP [NH3+][C@@H](CC(=O)N1CCn2cc[nH+]c2C1)C1CC1 ZINC000137396635 592176217 /nfs/dbraw/zinc/17/62/17/592176217.db2.gz BBPCBLPHZKKMGJ-JTQLQIEISA-N 2 2 234.303 0.353 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N1CC[C@H](CC[NH3+])C1 ZINC000125500485 634520790 /nfs/dbraw/zinc/52/07/90/634520790.db2.gz XKVHBCYUIFJWMP-VIFPVBQESA-N 2 2 246.318 0.538 10 0 BCAELP C[NH2+]CCCNc1cc(N(C)C)nc[nH+]1 ZINC000258672150 635184674 /nfs/dbraw/zinc/18/46/74/635184674.db2.gz OPCUQBGHPRRIDW-UHFFFAOYSA-N 2 2 209.297 0.564 10 0 BCAELP C[NH2+]CCCNc1cc(N(C)C)[nH+]cn1 ZINC000258672150 635184681 /nfs/dbraw/zinc/18/46/81/635184681.db2.gz OPCUQBGHPRRIDW-UHFFFAOYSA-N 2 2 209.297 0.564 10 0 BCAELP CN(C)c1cc(N(C)CC(C)(C)[NH3+])nc[nH+]1 ZINC000258830389 635211202 /nfs/dbraw/zinc/21/12/02/635211202.db2.gz WTTFBJZSUYLUIW-UHFFFAOYSA-N 2 2 223.324 0.716 10 0 BCAELP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H]([NH3+])C(N)=O)C1 ZINC000062439382 635463892 /nfs/dbraw/zinc/46/38/92/635463892.db2.gz NBPFSJLQCZKQHD-AEJSXWLSSA-N 2 2 213.325 0.167 10 0 BCAELP C[C@@H]1C[C@H](C)C[N@H+](CC[C@H]([NH3+])C(N)=O)C1 ZINC000062439382 635463896 /nfs/dbraw/zinc/46/38/96/635463896.db2.gz NBPFSJLQCZKQHD-AEJSXWLSSA-N 2 2 213.325 0.167 10 0 BCAELP CN(C)c1cc(N(C)[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258615887 631553834 /nfs/dbraw/zinc/55/38/34/631553834.db2.gz COIICKQEQQMYDY-SECBINFHSA-N 2 2 221.308 0.341 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC(C)C ZINC000252681701 635711776 /nfs/dbraw/zinc/71/17/76/635711776.db2.gz ARWUDXXHZAFQNH-RYUDHWBXSA-N 2 2 230.352 0.456 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC(C)C ZINC000252681701 635711777 /nfs/dbraw/zinc/71/17/77/635711777.db2.gz ARWUDXXHZAFQNH-RYUDHWBXSA-N 2 2 230.352 0.456 10 0 BCAELP CN(C)c1cc(N2CC[C@H]([NH3+])C2)nc[nH+]1 ZINC000258880223 635216935 /nfs/dbraw/zinc/21/69/35/635216935.db2.gz DTCFHCCFPGOSRZ-QMMMGPOBSA-N 2 2 207.281 0.080 10 0 BCAELP CNc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000156986149 640558609 /nfs/dbraw/zinc/55/86/09/640558609.db2.gz LQKHUNWGAGPZOE-SNVBAGLBSA-N 2 2 233.319 0.803 10 0 BCAELP CNc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000156986149 640558617 /nfs/dbraw/zinc/55/86/17/640558617.db2.gz LQKHUNWGAGPZOE-SNVBAGLBSA-N 2 2 233.319 0.803 10 0 BCAELP CCOC(=O)[C@](C)([NH3+])Cn1cc[nH+]c1CC ZINC000045460518 640566673 /nfs/dbraw/zinc/56/66/73/640566673.db2.gz FOWQKNBCKHHRFV-LLVKDONJSA-N 2 2 225.292 0.726 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227642026 640843279 /nfs/dbraw/zinc/84/32/79/640843279.db2.gz BRVYVYRRQVYKQX-BDAKNGLRSA-N 2 2 246.318 0.903 10 0 BCAELP CC(C)[NH2+][C@@H](CCn1cc[nH+]c1)C(N)=O ZINC000062534976 641057721 /nfs/dbraw/zinc/05/77/21/641057721.db2.gz CNWKNSYPTFEOHU-VIFPVBQESA-N 2 2 210.281 0.125 10 0 BCAELP CCOC(=O)[C@H](CCn1cc[nH+]c1C)[NH2+]C ZINC000062535109 641058137 /nfs/dbraw/zinc/05/81/37/641058137.db2.gz IKGPHMUWEGKLMH-JTQLQIEISA-N 2 2 225.292 0.733 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000069641091 642889314 /nfs/dbraw/zinc/88/93/14/642889314.db2.gz XKAPJAYMVODEFT-LLVKDONJSA-N 2 2 216.325 0.068 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000069641091 642889316 /nfs/dbraw/zinc/88/93/16/642889316.db2.gz XKAPJAYMVODEFT-LLVKDONJSA-N 2 2 216.325 0.068 10 0 BCAELP COC(=O)[C@@]1([NH3+])CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604644 644155710 /nfs/dbraw/zinc/15/57/10/644155710.db2.gz OOSNPHLOMHKRBO-MWLCHTKSSA-N 2 2 223.276 0.869 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724558213 711590153 /nfs/dbraw/zinc/59/01/53/711590153.db2.gz NZONDGCGNUWXGM-NOOOWODRSA-N 2 2 226.320 0.213 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724558213 711590154 /nfs/dbraw/zinc/59/01/54/711590154.db2.gz NZONDGCGNUWXGM-NOOOWODRSA-N 2 2 226.320 0.213 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724558211 711590258 /nfs/dbraw/zinc/59/02/58/711590258.db2.gz NZONDGCGNUWXGM-BJDJZHNGSA-N 2 2 226.320 0.213 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724558211 711590260 /nfs/dbraw/zinc/59/02/60/711590260.db2.gz NZONDGCGNUWXGM-BJDJZHNGSA-N 2 2 226.320 0.213 10 0 BCAELP C([C@@H]1CCCO1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257680828 711726250 /nfs/dbraw/zinc/72/62/50/711726250.db2.gz KYTRJBOCNVUZID-NWDGAFQWSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@@H]1CCCO1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257680828 711726252 /nfs/dbraw/zinc/72/62/52/711726252.db2.gz KYTRJBOCNVUZID-NWDGAFQWSA-N 2 2 210.321 0.993 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702632605 712057047 /nfs/dbraw/zinc/05/70/47/712057047.db2.gz JNVLXMOFFSDPPK-IJLUTSLNSA-N 2 2 230.352 0.586 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702632605 712057048 /nfs/dbraw/zinc/05/70/48/712057048.db2.gz JNVLXMOFFSDPPK-IJLUTSLNSA-N 2 2 230.352 0.586 10 0 BCAELP Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000708878116 712202216 /nfs/dbraw/zinc/20/22/16/712202216.db2.gz UDFRWOXKWOVYNR-MNOVXSKESA-N 2 2 220.320 0.812 10 0 BCAELP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000708878116 712202217 /nfs/dbraw/zinc/20/22/17/712202217.db2.gz UDFRWOXKWOVYNR-MNOVXSKESA-N 2 2 220.320 0.812 10 0 BCAELP CO[C@@H]1C[N@H+](CCOC2CC2)[C@@](C)(C[NH3+])C1 ZINC000711776067 712328098 /nfs/dbraw/zinc/32/80/98/712328098.db2.gz DWVQFGCQMAYFFC-NWDGAFQWSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@@H+](CCOC2CC2)[C@@](C)(C[NH3+])C1 ZINC000711776067 712328100 /nfs/dbraw/zinc/32/81/00/712328100.db2.gz DWVQFGCQMAYFFC-NWDGAFQWSA-N 2 2 228.336 0.604 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000714431000 712486325 /nfs/dbraw/zinc/48/63/25/712486325.db2.gz YZENDTIGZPOXAT-MVWJERBFSA-N 2 2 235.335 0.467 10 0 BCAELP CCn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1 ZINC000714431000 712486326 /nfs/dbraw/zinc/48/63/26/712486326.db2.gz YZENDTIGZPOXAT-MVWJERBFSA-N 2 2 235.335 0.467 10 0 BCAELP CC(C)C[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000132885216 719335944 /nfs/dbraw/zinc/33/59/44/719335944.db2.gz NJTRLAGNGPNUOB-UHFFFAOYSA-N 2 2 235.335 0.837 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955262 538900540 /nfs/dbraw/zinc/90/05/40/538900540.db2.gz WYUSERNHGQMRDE-RYUDHWBXSA-N 2 2 209.337 0.504 10 0 BCAELP CC[N@H+]1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955262 538900542 /nfs/dbraw/zinc/90/05/42/538900542.db2.gz WYUSERNHGQMRDE-RYUDHWBXSA-N 2 2 209.337 0.504 10 0 BCAELP CCN1CC[C@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 ZINC000685955262 538900543 /nfs/dbraw/zinc/90/05/43/538900543.db2.gz WYUSERNHGQMRDE-RYUDHWBXSA-N 2 2 209.337 0.504 10 0 BCAELP Cc1cc(N(C)CC[NH+](C)C)[nH+]cc1N ZINC000077302296 178098208 /nfs/dbraw/zinc/09/82/08/178098208.db2.gz LZSOWZMZZXHCDM-UHFFFAOYSA-N 2 2 208.309 0.970 10 0 BCAELP Cc1cc(N(CC[NH3+])CC[NH3+])nc(C(C)C)[nH+]1 ZINC000061806564 178101925 /nfs/dbraw/zinc/10/19/25/178101925.db2.gz YKDMFMUZMPHNDC-UHFFFAOYSA-N 3 2 237.351 0.632 10 0 BCAELP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc[nH+]1 ZINC000301656163 178120827 /nfs/dbraw/zinc/12/08/27/178120827.db2.gz LBYUZEWYHBLXRQ-MNOVXSKESA-N 2 2 234.303 0.304 10 0 BCAELP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc[nH+]1 ZINC000301656163 178120828 /nfs/dbraw/zinc/12/08/28/178120828.db2.gz LBYUZEWYHBLXRQ-MNOVXSKESA-N 2 2 234.303 0.304 10 0 BCAELP Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc[nH+]1 ZINC000301656164 178121092 /nfs/dbraw/zinc/12/10/92/178121092.db2.gz LBYUZEWYHBLXRQ-QWRGUYRKSA-N 2 2 234.303 0.304 10 0 BCAELP Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc[nH+]1 ZINC000301656164 178121094 /nfs/dbraw/zinc/12/10/94/178121094.db2.gz LBYUZEWYHBLXRQ-QWRGUYRKSA-N 2 2 234.303 0.304 10 0 BCAELP Cc1[nH]c(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c[nH+]1 ZINC000335021788 398275246 /nfs/dbraw/zinc/27/52/46/398275246.db2.gz FOUHCBSVUHCPTE-IONNQARKSA-N 2 2 222.292 0.588 10 0 BCAELP C[C@H](CNC(=O)OC(C)(C)C)[C@H]([NH3+])C[NH3+] ZINC000306651586 361856093 /nfs/dbraw/zinc/85/60/93/361856093.db2.gz GGLZNOJSKKDWLF-HTQZYQBOSA-N 2 2 217.313 0.433 10 0 BCAELP C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]([NH3+])C[NH3+] ZINC000306651589 361856409 /nfs/dbraw/zinc/85/64/09/361856409.db2.gz GGLZNOJSKKDWLF-YUMQZZPRSA-N 2 2 217.313 0.433 10 0 BCAELP CCC1(C)CC[NH+](CC[C@@H]([NH3+])C(N)=O)CC1 ZINC000062956191 539017120 /nfs/dbraw/zinc/01/71/20/539017120.db2.gz JBTZDKGCDNAXNF-SNVBAGLBSA-N 2 2 227.352 0.701 10 0 BCAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000309076269 342887680 /nfs/dbraw/zinc/88/76/80/342887680.db2.gz KTGIIWFAQBMSBB-GFCCVEGCSA-N 2 2 206.289 0.537 10 0 BCAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000309076269 342887681 /nfs/dbraw/zinc/88/76/81/342887681.db2.gz KTGIIWFAQBMSBB-GFCCVEGCSA-N 2 2 206.289 0.537 10 0 BCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000235494112 343039996 /nfs/dbraw/zinc/03/99/96/343039996.db2.gz OTHGKFKMUMBGGH-GMTAPVOTSA-N 2 2 236.319 0.243 10 0 BCAELP [NH3+]Cc1cc(C[NH+]2CCOCC2)ccn1 ZINC000082668297 362097722 /nfs/dbraw/zinc/09/77/22/362097722.db2.gz HTZXESINMMGPNB-UHFFFAOYSA-N 2 2 207.277 0.373 10 0 BCAELP Cc1c(C[NH2+]C2CC([NH+](C)C)C2)cnn1C ZINC000576885227 365714640 /nfs/dbraw/zinc/71/46/40/365714640.db2.gz AZWCSRMUVMYQOW-UHFFFAOYSA-N 2 2 222.336 0.911 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)[C@](C)(C[NH3+])C1 ZINC000634688463 343247474 /nfs/dbraw/zinc/24/74/74/343247474.db2.gz TVNBTLUWCQSGKE-VOAKCMCISA-N 2 2 242.363 0.992 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)[C@](C)(C[NH3+])C1 ZINC000634688463 343247475 /nfs/dbraw/zinc/24/74/75/343247475.db2.gz TVNBTLUWCQSGKE-VOAKCMCISA-N 2 2 242.363 0.992 10 0 BCAELP C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000167003520 136367834 /nfs/dbraw/zinc/36/78/34/136367834.db2.gz COHFBUSNBPMULN-GFCCVEGCSA-N 2 2 236.319 0.601 10 0 BCAELP [NH3+]C[C@@H]([NH3+])c1cncc(Br)c1 ZINC000044472335 343502260 /nfs/dbraw/zinc/50/22/60/343502260.db2.gz VUPRUYVZXASVSV-SSDOTTSWSA-N 2 2 216.082 0.803 10 0 BCAELP C[N@@H+]1CCN(c2nccs2)[C@@H](C[NH3+])C1 ZINC000226622218 343721691 /nfs/dbraw/zinc/72/16/91/343721691.db2.gz WHGKRFMGFXWMLI-QMMMGPOBSA-N 2 2 212.322 0.222 10 0 BCAELP C[N@H+]1CCN(c2nccs2)[C@@H](C[NH3+])C1 ZINC000226622218 343721692 /nfs/dbraw/zinc/72/16/92/343721692.db2.gz WHGKRFMGFXWMLI-QMMMGPOBSA-N 2 2 212.322 0.222 10 0 BCAELP COC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892767 344117706 /nfs/dbraw/zinc/11/77/06/344117706.db2.gz CZJQYMCANDQNQJ-VHSXEESVSA-N 2 2 212.293 0.233 10 0 BCAELP COC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299892767 344117708 /nfs/dbraw/zinc/11/77/08/344117708.db2.gz CZJQYMCANDQNQJ-VHSXEESVSA-N 2 2 212.293 0.233 10 0 BCAELP CC1(C)C[N@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000310158505 344247494 /nfs/dbraw/zinc/24/74/94/344247494.db2.gz LBTZDYLUXDVQKL-LLVKDONJSA-N 2 2 239.363 0.668 10 0 BCAELP CC1(C)C[N@@H+](CC(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000310158505 344247495 /nfs/dbraw/zinc/24/74/95/344247495.db2.gz LBTZDYLUXDVQKL-LLVKDONJSA-N 2 2 239.363 0.668 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C[C@H]1C[N@H+](C)CCO1 ZINC000600643323 344350055 /nfs/dbraw/zinc/35/00/55/344350055.db2.gz IXWUULYHVQKRSO-SNVBAGLBSA-N 2 2 224.308 0.172 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C[C@H]1C[N@@H+](C)CCO1 ZINC000600643323 344350056 /nfs/dbraw/zinc/35/00/56/344350056.db2.gz IXWUULYHVQKRSO-SNVBAGLBSA-N 2 2 224.308 0.172 10 0 BCAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000300023277 344510039 /nfs/dbraw/zinc/51/00/39/344510039.db2.gz DMXRGIAAOFGTID-QWHCGFSZSA-N 3 2 243.395 0.814 10 0 BCAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](CCC[NH3+])COC)C1 ZINC000300023277 344510040 /nfs/dbraw/zinc/51/00/40/344510040.db2.gz DMXRGIAAOFGTID-QWHCGFSZSA-N 3 2 243.395 0.814 10 0 BCAELP CC(C)(C)OC(=O)NCC[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000227604329 344583625 /nfs/dbraw/zinc/58/36/25/344583625.db2.gz IAUJZOHDQJAMPU-JTQLQIEISA-N 2 2 243.351 0.853 10 0 BCAELP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400555159 537859004 /nfs/dbraw/zinc/85/90/04/537859004.db2.gz KQLOTHCJDIMMAN-LBPRGKRZSA-N 2 2 220.320 0.866 10 0 BCAELP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400555159 537859010 /nfs/dbraw/zinc/85/90/10/537859010.db2.gz KQLOTHCJDIMMAN-LBPRGKRZSA-N 2 2 220.320 0.866 10 0 BCAELP COC(=O)[C@@](C)([NH3+])Cn1cc(C)[nH+]c1C ZINC000715150655 537865661 /nfs/dbraw/zinc/86/56/61/537865661.db2.gz KHTKCNRSJPRRRH-JTQLQIEISA-N 2 2 211.265 0.390 10 0 BCAELP C[NH2+][C@@H](Cn1cc(C)[nH+]c1C)C(=O)OC ZINC000715150465 537865962 /nfs/dbraw/zinc/86/59/62/537865962.db2.gz GKVOAXCPTJCZBL-VIFPVBQESA-N 2 2 211.265 0.261 10 0 BCAELP [NH3+]C[C@@H]([NH3+])c1cccnc1Br ZINC000044472412 345090541 /nfs/dbraw/zinc/09/05/41/345090541.db2.gz LNTKSFZKLBTATG-ZCFIWIBFSA-N 2 2 216.082 0.803 10 0 BCAELP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000634999784 345201374 /nfs/dbraw/zinc/20/13/74/345201374.db2.gz YWEHLAJHRIANGV-ZJUUUORDSA-N 2 2 208.309 0.447 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@@H]1C[NH3+] ZINC000634999784 345201375 /nfs/dbraw/zinc/20/13/75/345201375.db2.gz YWEHLAJHRIANGV-ZJUUUORDSA-N 2 2 208.309 0.447 10 0 BCAELP COC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000212487225 345737565 /nfs/dbraw/zinc/73/75/65/345737565.db2.gz KNGILYXCFSDIDY-LLVKDONJSA-N 2 2 241.335 0.370 10 0 BCAELP C[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800169 537923070 /nfs/dbraw/zinc/92/30/70/537923070.db2.gz ZQUMLBLOMNLUKL-PSASIEDQSA-N 2 2 210.281 0.298 10 0 BCAELP C[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800168 537924284 /nfs/dbraw/zinc/92/42/84/537924284.db2.gz ZQUMLBLOMNLUKL-WCBMZHEXSA-N 2 2 210.281 0.298 10 0 BCAELP COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1 ZINC000082800146 537924345 /nfs/dbraw/zinc/92/43/45/537924345.db2.gz FQQMQWBAMSRFCK-PSASIEDQSA-N 2 2 211.265 0.725 10 0 BCAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CCO)c1 ZINC000020225479 179185627 /nfs/dbraw/zinc/18/56/27/179185627.db2.gz SYVSZLMGFHSSMC-GFCCVEGCSA-N 2 2 208.305 0.919 10 0 BCAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CCO)c1 ZINC000020225479 179185629 /nfs/dbraw/zinc/18/56/29/179185629.db2.gz SYVSZLMGFHSSMC-GFCCVEGCSA-N 2 2 208.305 0.919 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325888 347209820 /nfs/dbraw/zinc/20/98/20/347209820.db2.gz HCJFQQSXCRKWLQ-GUBZILKMSA-N 2 2 214.309 0.465 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325888 347209823 /nfs/dbraw/zinc/20/98/23/347209823.db2.gz HCJFQQSXCRKWLQ-GUBZILKMSA-N 2 2 214.309 0.465 10 0 BCAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250241094 362797166 /nfs/dbraw/zinc/79/71/66/362797166.db2.gz HICIDULQUAKRFE-NWDGAFQWSA-N 2 2 239.363 0.729 10 0 BCAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250241094 362797172 /nfs/dbraw/zinc/79/71/72/362797172.db2.gz HICIDULQUAKRFE-NWDGAFQWSA-N 2 2 239.363 0.729 10 0 BCAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CCO)c1 ZINC000020225478 179199058 /nfs/dbraw/zinc/19/90/58/179199058.db2.gz SYVSZLMGFHSSMC-LBPRGKRZSA-N 2 2 208.305 0.919 10 0 BCAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CCO)c1 ZINC000020225478 179199059 /nfs/dbraw/zinc/19/90/59/179199059.db2.gz SYVSZLMGFHSSMC-LBPRGKRZSA-N 2 2 208.305 0.919 10 0 BCAELP CC(C)(C)[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669381938 538000585 /nfs/dbraw/zinc/00/05/85/538000585.db2.gz AYNOKUHCDRNPPX-VIFPVBQESA-N 2 2 222.279 0.734 10 0 BCAELP [NH3+][C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000041120044 187393479 /nfs/dbraw/zinc/39/34/79/187393479.db2.gz LLKSRQLHXHRDPJ-GFCCVEGCSA-N 2 2 244.298 0.699 10 0 BCAELP CC(C)[N@@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245968 538005453 /nfs/dbraw/zinc/00/54/53/538005453.db2.gz OLVJWQYSFIUAGV-PWSUYJOCSA-N 2 2 210.321 0.895 10 0 BCAELP CC(C)[N@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245968 538005458 /nfs/dbraw/zinc/00/54/58/538005458.db2.gz OLVJWQYSFIUAGV-PWSUYJOCSA-N 2 2 210.321 0.895 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261535199 535095326 /nfs/dbraw/zinc/09/53/26/535095326.db2.gz WEZUHLASTJCYOB-WDEREUQCSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261535199 535095329 /nfs/dbraw/zinc/09/53/29/535095329.db2.gz WEZUHLASTJCYOB-WDEREUQCSA-N 2 2 248.392 0.479 10 0 BCAELP COCC[N@H+](C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304223192 350145193 /nfs/dbraw/zinc/14/51/93/350145193.db2.gz IEVODFXBYGECIT-NSHDSACASA-N 2 2 232.368 0.561 10 0 BCAELP COCC[N@@H+](C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000304223192 350145196 /nfs/dbraw/zinc/14/51/96/350145196.db2.gz IEVODFXBYGECIT-NSHDSACASA-N 2 2 232.368 0.561 10 0 BCAELP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[NH3+] ZINC000019278883 180103690 /nfs/dbraw/zinc/10/36/90/180103690.db2.gz RIOYFCZESFZMQO-VIFPVBQESA-N 2 2 205.261 0.664 10 0 BCAELP CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1C[NH3+] ZINC000159449314 350238386 /nfs/dbraw/zinc/23/83/86/350238386.db2.gz AZKGEYCZNWUTNK-MRVPVSSYSA-N 2 2 215.297 0.154 10 0 BCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCOC1=O ZINC000178295931 180264395 /nfs/dbraw/zinc/26/43/95/180264395.db2.gz NBZHOLKELWYLKS-NWDGAFQWSA-N 2 2 249.314 0.971 10 0 BCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCOC1=O ZINC000178295931 180264397 /nfs/dbraw/zinc/26/43/97/180264397.db2.gz NBZHOLKELWYLKS-NWDGAFQWSA-N 2 2 249.314 0.971 10 0 BCAELP C[C@H]1CSCC[N@@H+]1C[C@@]1([NH3+])CCOC1 ZINC000224814218 350341482 /nfs/dbraw/zinc/34/14/82/350341482.db2.gz CMOSJKYOCLHGDT-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP C[C@H]1CSCC[N@H+]1C[C@@]1([NH3+])CCOC1 ZINC000224814218 350341486 /nfs/dbraw/zinc/34/14/86/350341486.db2.gz CMOSJKYOCLHGDT-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP Cn1c[nH+]cc1-c1cnnn1[C@H]1CCC[NH2+]CC1 ZINC000725266160 538093892 /nfs/dbraw/zinc/09/38/92/538093892.db2.gz RGCCILGNIDCPCE-JTQLQIEISA-N 2 2 246.318 0.993 10 0 BCAELP [NH3+]CCN1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616597276 350650310 /nfs/dbraw/zinc/65/03/10/350650310.db2.gz COMGHCNTOUIZMO-SNVBAGLBSA-N 2 2 210.281 0.063 10 0 BCAELP Nc1cccc([C@H]2CC[N@H+](CC[NH3+])CCO2)c1 ZINC000616596147 350629759 /nfs/dbraw/zinc/62/97/59/350629759.db2.gz QHVFDSOKLVLIPD-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1cccc([C@H]2CC[N@@H+](CC[NH3+])CCO2)c1 ZINC000616596147 350629762 /nfs/dbraw/zinc/62/97/62/350629762.db2.gz QHVFDSOKLVLIPD-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP OCC[N@@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616596479 350634068 /nfs/dbraw/zinc/63/40/68/350634068.db2.gz WMLGLGHJIZHRBE-SNVBAGLBSA-N 2 2 211.265 0.096 10 0 BCAELP OCC[N@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616596479 350634072 /nfs/dbraw/zinc/63/40/72/350634072.db2.gz WMLGLGHJIZHRBE-SNVBAGLBSA-N 2 2 211.265 0.096 10 0 BCAELP Nc1ccc([C@H]2C[N@H+](CC[NH3+])CCCO2)cc1 ZINC000616598523 350675611 /nfs/dbraw/zinc/67/56/11/350675611.db2.gz MSNGOUZIDANQJE-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccc([C@H]2C[N@@H+](CC[NH3+])CCCO2)cc1 ZINC000616598523 350675613 /nfs/dbraw/zinc/67/56/13/350675613.db2.gz MSNGOUZIDANQJE-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](n2cccn2)C1 ZINC000616605260 350794146 /nfs/dbraw/zinc/79/41/46/350794146.db2.gz WNJKCOCJYKFWDQ-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](n2cccn2)C1 ZINC000616605260 350794148 /nfs/dbraw/zinc/79/41/48/350794148.db2.gz WNJKCOCJYKFWDQ-NSHDSACASA-N 2 2 208.309 0.869 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccccc2CO)C1 ZINC000616623295 351088729 /nfs/dbraw/zinc/08/87/29/351088729.db2.gz DWOKMKVVSQFWRV-LLVKDONJSA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccccc2CO)C1 ZINC000616623295 351088730 /nfs/dbraw/zinc/08/87/30/351088730.db2.gz DWOKMKVVSQFWRV-LLVKDONJSA-N 2 2 220.316 0.927 10 0 BCAELP CC[C@@H](C[NH3+])[N@@H+]1CCC2(C1)OCCO2 ZINC000306840744 351156364 /nfs/dbraw/zinc/15/63/64/351156364.db2.gz BGWGVBYOSIXUHQ-VIFPVBQESA-N 2 2 200.282 0.173 10 0 BCAELP CC[C@@H](C[NH3+])[N@H+]1CCC2(C1)OCCO2 ZINC000306840744 351156369 /nfs/dbraw/zinc/15/63/69/351156369.db2.gz BGWGVBYOSIXUHQ-VIFPVBQESA-N 2 2 200.282 0.173 10 0 BCAELP CC(C)(C)[C@@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616659157 351206241 /nfs/dbraw/zinc/20/62/41/351206241.db2.gz CNRQVJMDTRGCMQ-JTQLQIEISA-N 2 2 200.326 0.940 10 0 BCAELP CC(C)(C)[C@@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616659157 351206244 /nfs/dbraw/zinc/20/62/44/351206244.db2.gz CNRQVJMDTRGCMQ-JTQLQIEISA-N 2 2 200.326 0.940 10 0 BCAELP COCC[NH+](CCOC)[C@@H]1CCC[C@H]1[NH3+] ZINC000042442556 187804329 /nfs/dbraw/zinc/80/43/29/187804329.db2.gz UNQAZUXMZISSFW-GHMZBOCLSA-N 2 2 216.325 0.461 10 0 BCAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000638896462 353057416 /nfs/dbraw/zinc/05/74/16/353057416.db2.gz ZGGUTGKCKKMKAZ-MNOVXSKESA-N 2 2 236.319 0.326 10 0 BCAELP C(C[NH2+]C[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000036962799 188113220 /nfs/dbraw/zinc/11/32/20/188113220.db2.gz JJMGFUZPPJKOTP-LBPRGKRZSA-N 2 2 228.336 0.477 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226469140 188155683 /nfs/dbraw/zinc/15/56/83/188155683.db2.gz GRXBTXPGFSVGNF-GFCCVEGCSA-N 2 2 241.379 0.927 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226469140 188155685 /nfs/dbraw/zinc/15/56/85/188155685.db2.gz GRXBTXPGFSVGNF-GFCCVEGCSA-N 2 2 241.379 0.927 10 0 BCAELP C[C@H]([NH3+])[C@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000165438953 353349916 /nfs/dbraw/zinc/34/99/16/353349916.db2.gz VCHNIWCPDQQDQZ-IUCAKERBSA-N 2 2 222.292 0.209 10 0 BCAELP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000230072832 353419223 /nfs/dbraw/zinc/41/92/23/353419223.db2.gz WDTZJAAUROPZJX-UTUOFQBUSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000230072832 353419224 /nfs/dbraw/zinc/41/92/24/353419224.db2.gz WDTZJAAUROPZJX-UTUOFQBUSA-N 2 2 228.336 0.068 10 0 BCAELP Cc1cc(NC2CC[NH2+]CC2)c(C#N)c[nH+]1 ZINC000398995544 353495727 /nfs/dbraw/zinc/49/57/27/353495727.db2.gz OOWBSCGRQWJCNB-UHFFFAOYSA-N 2 2 216.288 0.848 10 0 BCAELP [NH3+]C1(CC(=O)N2CCn3cc[nH+]c3C2)CCC1 ZINC000094295384 487527624 /nfs/dbraw/zinc/52/76/24/487527624.db2.gz LHJYFCPKSYQFMO-UHFFFAOYSA-N 2 2 234.303 0.497 10 0 BCAELP NC(=O)C1([N@@H+]2CCC[NH2+]CC2)CCSCC1 ZINC000041115491 181214578 /nfs/dbraw/zinc/21/45/78/181214578.db2.gz BRGJQWYQVHUMJH-UHFFFAOYSA-N 2 2 243.376 0.033 10 0 BCAELP NC(=O)C1([N@H+]2CCC[NH2+]CC2)CCSCC1 ZINC000041115491 181214581 /nfs/dbraw/zinc/21/45/81/181214581.db2.gz BRGJQWYQVHUMJH-UHFFFAOYSA-N 2 2 243.376 0.033 10 0 BCAELP NC(=O)C1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC000043493864 181216764 /nfs/dbraw/zinc/21/67/64/181216764.db2.gz PHRLFCVAVVFIAK-NSHDSACASA-N 2 2 225.336 0.326 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389307159 355960796 /nfs/dbraw/zinc/96/07/96/355960796.db2.gz FNHPGQPCDPZZLN-NWDGAFQWSA-N 2 2 230.352 0.456 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC(C)C)C1 ZINC000389307159 355960801 /nfs/dbraw/zinc/96/08/01/355960801.db2.gz FNHPGQPCDPZZLN-NWDGAFQWSA-N 2 2 230.352 0.456 10 0 BCAELP NC(=O)[C@@H]([NH3+])CC[NH+]1CCCCCCC1 ZINC000062438750 181264526 /nfs/dbraw/zinc/26/45/26/181264526.db2.gz GTFXAMGTPFFDPB-JTQLQIEISA-N 2 2 213.325 0.455 10 0 BCAELP NC(=O)[C@H]([NH3+])CC[NH+]1CCCCCCC1 ZINC000062438753 181277468 /nfs/dbraw/zinc/27/74/68/181277468.db2.gz GTFXAMGTPFFDPB-SNVBAGLBSA-N 2 2 213.325 0.455 10 0 BCAELP COc1ccc[nH+]c1N1CCO[C@H](C[NH3+])C1 ZINC000160177523 356562250 /nfs/dbraw/zinc/56/22/50/356562250.db2.gz RHBUGIHYDCNOLD-SECBINFHSA-N 2 2 223.276 0.254 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389408817 356628763 /nfs/dbraw/zinc/62/87/63/356628763.db2.gz RJQSZFIXEOSJFL-IJLUTSLNSA-N 2 2 212.337 0.974 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389408817 356628766 /nfs/dbraw/zinc/62/87/66/356628766.db2.gz RJQSZFIXEOSJFL-IJLUTSLNSA-N 2 2 212.337 0.974 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389408818 356628806 /nfs/dbraw/zinc/62/88/06/356628806.db2.gz RJQSZFIXEOSJFL-QJPTWQEYSA-N 2 2 212.337 0.974 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389408818 356628808 /nfs/dbraw/zinc/62/88/08/356628808.db2.gz RJQSZFIXEOSJFL-QJPTWQEYSA-N 2 2 212.337 0.974 10 0 BCAELP CCN1C(=O)CC[C@H](C[NH3+])[C@@H]1c1[nH+]ccn1C ZINC000675058772 538482402 /nfs/dbraw/zinc/48/24/02/538482402.db2.gz XGLBNUGUBPMKPB-MWLCHTKSSA-N 2 2 236.319 0.678 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000389429944 356669576 /nfs/dbraw/zinc/66/95/76/356669576.db2.gz XVHSXFUQZBSLCS-QWHCGFSZSA-N 2 2 244.379 0.704 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000389429944 356669581 /nfs/dbraw/zinc/66/95/81/356669581.db2.gz XVHSXFUQZBSLCS-QWHCGFSZSA-N 2 2 244.379 0.704 10 0 BCAELP [NH3+][C@@H]1C=C(Cc2ccc(O)cc2)C[NH2+]C1 ZINC000675077431 538514300 /nfs/dbraw/zinc/51/43/00/538514300.db2.gz FAIUYKJYCRQIKE-LLVKDONJSA-N 2 2 204.273 0.792 10 0 BCAELP Cn1ncc(Cl)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079104 538517104 /nfs/dbraw/zinc/51/71/04/538517104.db2.gz WIKDTKYXYRXIFV-ZETCQYMHSA-N 2 2 212.684 0.387 10 0 BCAELP CCn1nc(C)cc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675079112 538517516 /nfs/dbraw/zinc/51/75/16/538517516.db2.gz WNBQBJVRDAGFEY-SNVBAGLBSA-N 2 2 206.293 0.525 10 0 BCAELP Cc1cnc(CC2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675079494 538518801 /nfs/dbraw/zinc/51/88/01/538518801.db2.gz ZLUBEZXMVQWVDA-VIFPVBQESA-N 2 2 209.318 0.851 10 0 BCAELP CC(C)n1nccc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077213 538512388 /nfs/dbraw/zinc/51/23/88/538512388.db2.gz AYGVKXXLRDANJD-JTQLQIEISA-N 2 2 206.293 0.778 10 0 BCAELP NC(=O)[C@]1([NH3+])CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604648 538558099 /nfs/dbraw/zinc/55/80/99/538558099.db2.gz HNRLNOIAQQFJAI-WPRPVWTQSA-N 2 2 208.265 0.181 10 0 BCAELP CCN1CCO[C@@H](C[NH3+])[C@@H]1c1c[nH+]cn1C ZINC000085169009 538538587 /nfs/dbraw/zinc/53/85/87/538538587.db2.gz ZYEIAFRXWSJIIW-QWRGUYRKSA-N 2 2 224.308 0.141 10 0 BCAELP CO[C@H]1CC[N@H+](C[C@H]2CSCC[NH2+]2)C1 ZINC000300042534 357176707 /nfs/dbraw/zinc/17/67/07/357176707.db2.gz QEUHDCPBDNPJHC-UWVGGRQHSA-N 2 2 216.350 0.412 10 0 BCAELP CO[C@H]1CC[N@@H+](C[C@H]2CSCC[NH2+]2)C1 ZINC000300042534 357176709 /nfs/dbraw/zinc/17/67/09/357176709.db2.gz QEUHDCPBDNPJHC-UWVGGRQHSA-N 2 2 216.350 0.412 10 0 BCAELP [NH3+]Cc1cncc(C[NH+]2CCOCC2)c1 ZINC000259238510 538810862 /nfs/dbraw/zinc/81/08/62/538810862.db2.gz DSSLNWPXMCKGRF-UHFFFAOYSA-N 2 2 207.277 0.373 10 0 BCAELP CN(CCC[NH3+])c1[nH+]cnc2c1cnn2C ZINC000037673621 358091895 /nfs/dbraw/zinc/09/18/95/358091895.db2.gz PDJQXDSXUKURNK-UHFFFAOYSA-N 2 2 220.280 0.148 10 0 BCAELP C[NH+](C)CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171401521 134258040 /nfs/dbraw/zinc/25/80/40/134258040.db2.gz KRPPEVOCLVWLNX-NSHDSACASA-N 2 2 225.336 0.245 10 0 BCAELP CC(C)C[C@@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000306227253 359355424 /nfs/dbraw/zinc/35/54/24/359355424.db2.gz GWOKGBXXHLHTAW-SSDOTTSWSA-N 2 2 215.322 0.579 10 0 BCAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309112646 491144857 /nfs/dbraw/zinc/14/48/57/491144857.db2.gz KFLNSOWVEPYIEK-RHYQMDGZSA-N 2 2 212.337 0.830 10 0 BCAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000309112646 491144858 /nfs/dbraw/zinc/14/48/58/491144858.db2.gz KFLNSOWVEPYIEK-RHYQMDGZSA-N 2 2 212.337 0.830 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000380243814 366678300 /nfs/dbraw/zinc/67/83/00/366678300.db2.gz WTHVYWYXJJJRFD-LLVKDONJSA-N 2 2 222.292 0.476 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOC1CCOCC1 ZINC000629514576 361112706 /nfs/dbraw/zinc/11/27/06/361112706.db2.gz LOOKWMBBVQNVAX-NSHDSACASA-N 2 2 228.336 0.605 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOC1CCOCC1 ZINC000629514576 361112711 /nfs/dbraw/zinc/11/27/11/361112711.db2.gz LOOKWMBBVQNVAX-NSHDSACASA-N 2 2 228.336 0.605 10 0 BCAELP CC(C)(C[NH3+])[N@@H+]1CCC2(C1)OCCO2 ZINC000306624383 361285181 /nfs/dbraw/zinc/28/51/81/361285181.db2.gz XMHICJXRTJVTQA-UHFFFAOYSA-N 2 2 200.282 0.173 10 0 BCAELP CC(C)(C[NH3+])[N@H+]1CCC2(C1)OCCO2 ZINC000306624383 361285183 /nfs/dbraw/zinc/28/51/83/361285183.db2.gz XMHICJXRTJVTQA-UHFFFAOYSA-N 2 2 200.282 0.173 10 0 BCAELP C[C@@H]1C[N@H+](CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000629535236 361409504 /nfs/dbraw/zinc/40/95/04/361409504.db2.gz FMNBCQJANWBFKC-PWSUYJOCSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@@H]1C[N@@H+](CCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000629535236 361409508 /nfs/dbraw/zinc/40/95/08/361409508.db2.gz FMNBCQJANWBFKC-PWSUYJOCSA-N 2 2 228.336 0.461 10 0 BCAELP CC(C)n1ccnc1C[N@H+](C)CCOCC[NH3+] ZINC000629578590 361464202 /nfs/dbraw/zinc/46/42/02/361464202.db2.gz SQBSYWJWAVDVDC-UHFFFAOYSA-N 2 2 240.351 0.871 10 0 BCAELP CC(C)n1ccnc1C[N@@H+](C)CCOCC[NH3+] ZINC000629578590 361464207 /nfs/dbraw/zinc/46/42/07/361464207.db2.gz SQBSYWJWAVDVDC-UHFFFAOYSA-N 2 2 240.351 0.871 10 0 BCAELP CCCc1[nH+]ccn1C[C@@H]([NH3+])C(=O)OC ZINC000069964562 541307897 /nfs/dbraw/zinc/30/78/97/541307897.db2.gz XCRMJDFGRHQMID-MRVPVSSYSA-N 2 2 211.265 0.336 10 0 BCAELP COC[C@H](C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+])OC ZINC000630367557 364085110 /nfs/dbraw/zinc/08/51/10/364085110.db2.gz NWPUUPFIAZOLNT-SDDRHHMPSA-N 2 2 246.351 0.086 10 0 BCAELP COC[C@H](C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+])OC ZINC000630367557 364085118 /nfs/dbraw/zinc/08/51/18/364085118.db2.gz NWPUUPFIAZOLNT-SDDRHHMPSA-N 2 2 246.351 0.086 10 0 BCAELP CO[C@@H]1C[N@H+](CCn2cccn2)[C@](C)(C[NH3+])C1 ZINC000630362268 364081851 /nfs/dbraw/zinc/08/18/51/364081851.db2.gz KXJKWMPKFCHCOC-RYUDHWBXSA-N 2 2 238.335 0.321 10 0 BCAELP CO[C@@H]1C[N@@H+](CCn2cccn2)[C@](C)(C[NH3+])C1 ZINC000630362268 364081854 /nfs/dbraw/zinc/08/18/54/364081854.db2.gz KXJKWMPKFCHCOC-RYUDHWBXSA-N 2 2 238.335 0.321 10 0 BCAELP CO[C@@H]1C[N@H+](CCOCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630364675 364083452 /nfs/dbraw/zinc/08/34/52/364083452.db2.gz QCTKOUTZWVDGIA-QWHCGFSZSA-N 2 2 242.363 0.851 10 0 BCAELP CO[C@@H]1C[N@@H+](CCOCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630364675 364083453 /nfs/dbraw/zinc/08/34/53/364083453.db2.gz QCTKOUTZWVDGIA-QWHCGFSZSA-N 2 2 242.363 0.851 10 0 BCAELP CO[C@@H]1C[N@H+](CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364790 364083522 /nfs/dbraw/zinc/08/35/22/364083522.db2.gz VXVRSFXBMWYDFF-RYUDHWBXSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@@H]1C[N@@H+](CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364790 364083524 /nfs/dbraw/zinc/08/35/24/364083524.db2.gz VXVRSFXBMWYDFF-RYUDHWBXSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630370318 364087235 /nfs/dbraw/zinc/08/72/35/364087235.db2.gz YZBZNRBQBINOSO-AGIUHOORSA-N 2 2 242.363 0.994 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630370318 364087238 /nfs/dbraw/zinc/08/72/38/364087238.db2.gz YZBZNRBQBINOSO-AGIUHOORSA-N 2 2 242.363 0.994 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630370320 364088077 /nfs/dbraw/zinc/08/80/77/364088077.db2.gz YZBZNRBQBINOSO-FRRDWIJNSA-N 2 2 242.363 0.994 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630370320 364088080 /nfs/dbraw/zinc/08/80/80/364088080.db2.gz YZBZNRBQBINOSO-FRRDWIJNSA-N 2 2 242.363 0.994 10 0 BCAELP C[NH2+]CCOCCNc1[nH+]cccc1OC ZINC000630527464 364214460 /nfs/dbraw/zinc/21/44/60/364214460.db2.gz MAZFTEUOKNINQQ-UHFFFAOYSA-N 2 2 225.292 0.738 10 0 BCAELP [NH3+]CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802773 181367032 /nfs/dbraw/zinc/36/70/32/181367032.db2.gz IKOXCPIACVSLKZ-UHFFFAOYSA-N 2 2 248.330 0.075 10 0 BCAELP [NH3+]CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000034517586 181391862 /nfs/dbraw/zinc/39/18/62/181391862.db2.gz RVRCVAKZCDNBIT-UHFFFAOYSA-N 2 2 220.316 0.929 10 0 BCAELP [NH3+]CCC[NH+]1CCN(c2nccs2)CC1 ZINC000019428415 181380649 /nfs/dbraw/zinc/38/06/49/181380649.db2.gz DKUOICUXDFJXNX-UHFFFAOYSA-N 2 2 226.349 0.614 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000379848029 365316911 /nfs/dbraw/zinc/31/69/11/365316911.db2.gz DESKLBZSPIDOGD-HBNTYKKESA-N 2 2 235.335 0.467 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000379848029 365316918 /nfs/dbraw/zinc/31/69/18/365316918.db2.gz DESKLBZSPIDOGD-HBNTYKKESA-N 2 2 235.335 0.467 10 0 BCAELP CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000322270660 541496161 /nfs/dbraw/zinc/49/61/61/541496161.db2.gz VSVMEDGSDDCQQP-UHFFFAOYSA-N 2 2 228.340 0.119 10 0 BCAELP C[N@@H+]1CCN(c2ncccc2F)[C@H](C[NH3+])C1 ZINC000087613836 367916152 /nfs/dbraw/zinc/91/61/52/367916152.db2.gz CBZYDDANQDULOA-SECBINFHSA-N 2 2 224.283 0.300 10 0 BCAELP C[N@H+]1CCN(c2ncccc2F)[C@H](C[NH3+])C1 ZINC000087613836 367916158 /nfs/dbraw/zinc/91/61/58/367916158.db2.gz CBZYDDANQDULOA-SECBINFHSA-N 2 2 224.283 0.300 10 0 BCAELP CC[C@H](C[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000133719817 372094603 /nfs/dbraw/zinc/09/46/03/372094603.db2.gz KTEOWLOKSRKDIB-SNVBAGLBSA-N 2 2 214.309 0.563 10 0 BCAELP CC[C@H](C[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000133719817 372094611 /nfs/dbraw/zinc/09/46/11/372094611.db2.gz KTEOWLOKSRKDIB-SNVBAGLBSA-N 2 2 214.309 0.563 10 0 BCAELP Cc1noc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838030 372621317 /nfs/dbraw/zinc/62/13/17/372621317.db2.gz ILOVKZPSHLIZGA-CBAPKCEASA-N 2 2 210.281 0.405 10 0 BCAELP Cc1noc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631838030 372621322 /nfs/dbraw/zinc/62/13/22/372621322.db2.gz ILOVKZPSHLIZGA-CBAPKCEASA-N 2 2 210.281 0.405 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1C ZINC000631837371 372626464 /nfs/dbraw/zinc/62/64/64/372626464.db2.gz AWKQDJPWOLVZCL-NXEZZACHSA-N 2 2 237.351 0.404 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1C ZINC000631837371 372626472 /nfs/dbraw/zinc/62/64/72/372626472.db2.gz AWKQDJPWOLVZCL-NXEZZACHSA-N 2 2 237.351 0.404 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838211 372631962 /nfs/dbraw/zinc/63/19/62/372631962.db2.gz KPCBRZUSIUCPSX-VHSXEESVSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838211 372631969 /nfs/dbraw/zinc/63/19/69/372631969.db2.gz KPCBRZUSIUCPSX-VHSXEESVSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838212 372632317 /nfs/dbraw/zinc/63/23/17/372632317.db2.gz KPCBRZUSIUCPSX-ZJUUUORDSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838212 372632318 /nfs/dbraw/zinc/63/23/18/372632318.db2.gz KPCBRZUSIUCPSX-ZJUUUORDSA-N 2 2 223.324 0.325 10 0 BCAELP C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000631842000 372640632 /nfs/dbraw/zinc/64/06/32/372640632.db2.gz SUQCOOWFYNYEPY-SCZZXKLOSA-N 2 2 236.319 0.974 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@@H]1C[NH3+] ZINC000631842000 372640641 /nfs/dbraw/zinc/64/06/41/372640641.db2.gz SUQCOOWFYNYEPY-SCZZXKLOSA-N 2 2 236.319 0.974 10 0 BCAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000336768876 170036797 /nfs/dbraw/zinc/03/67/97/170036797.db2.gz UOPOMGXNJJWDLX-AEJSXWLSSA-N 2 2 213.325 0.180 10 0 BCAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000336768876 170036798 /nfs/dbraw/zinc/03/67/98/170036798.db2.gz UOPOMGXNJJWDLX-AEJSXWLSSA-N 2 2 213.325 0.180 10 0 BCAELP O=S1(=O)CC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000050604638 182912784 /nfs/dbraw/zinc/91/27/84/182912784.db2.gz LJJQHUYXCBWDEC-LLVKDONJSA-N 2 2 246.376 0.107 10 0 BCAELP OCCC[NH2+]CC[NH+]1CCCCCC1 ZINC000049474649 183055895 /nfs/dbraw/zinc/05/58/95/183055895.db2.gz ZNQFVTXFOYRFEH-UHFFFAOYSA-N 2 2 200.326 0.834 10 0 BCAELP O[C@@H]1CC[NH2+]CC12C[NH+](Cc1ccccc1)C2 ZINC000082344271 183199920 /nfs/dbraw/zinc/19/99/20/183199920.db2.gz DAFYWFCXUWIZEE-CYBMUJFWSA-N 2 2 232.327 0.843 10 0 BCAELP CCC[N@H+]([C@@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC000037469593 169091044 /nfs/dbraw/zinc/09/10/44/169091044.db2.gz WWDCUENCPAGGRV-LLVKDONJSA-N 2 2 226.320 0.766 10 0 BCAELP CCC[N@@H+]([C@@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC000037469593 169091047 /nfs/dbraw/zinc/09/10/47/169091047.db2.gz WWDCUENCPAGGRV-LLVKDONJSA-N 2 2 226.320 0.766 10 0 BCAELP O[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575147 183237166 /nfs/dbraw/zinc/23/71/66/183237166.db2.gz MGCFAKGCZNOBQE-RYUDHWBXSA-N 2 2 212.337 0.975 10 0 BCAELP CCC[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000019425357 169201232 /nfs/dbraw/zinc/20/12/32/169201232.db2.gz HVLFVJZJXHLVEG-JTQLQIEISA-N 2 2 243.376 0.203 10 0 BCAELP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000086725162 183368221 /nfs/dbraw/zinc/36/82/21/183368221.db2.gz DJNQJUNNAHFQFE-SNVBAGLBSA-N 2 2 220.272 0.867 10 0 BCAELP c1cc2nc(c1)C[NH2+]CCC[NH2+]CCC[NH2+]C2 ZINC000003783050 183376638 /nfs/dbraw/zinc/37/66/38/183376638.db2.gz WPDDXLXLHUKSGP-UHFFFAOYSA-N 3 2 234.347 0.644 10 0 BCAELP C[N@H+](CCn1ccnc1)CCn1cc[nH+]c1 ZINC000001688183 383923182 /nfs/dbraw/zinc/92/31/82/383923182.db2.gz ABMZLNUVNSWKQW-UHFFFAOYSA-N 3 2 219.292 0.712 10 0 BCAELP C[NH+](CCn1cc[nH+]c1)CCn1cc[nH+]c1 ZINC000001688183 383923190 /nfs/dbraw/zinc/92/31/90/383923190.db2.gz ABMZLNUVNSWKQW-UHFFFAOYSA-N 3 2 219.292 0.712 10 0 BCAELP [NH3+]CCc1[nH+]cc2cnc3[nH]ccc3n21 ZINC000088347426 383896795 /nfs/dbraw/zinc/89/67/95/383896795.db2.gz MVVVJUBHIXONPI-UHFFFAOYSA-N 2 2 201.233 0.712 10 0 BCAELP CN(c1[nH+]cccc1O)C1CC[NH2+]CC1 ZINC000095070649 384336563 /nfs/dbraw/zinc/33/65/63/384336563.db2.gz ICGLQDZDQUMHND-UHFFFAOYSA-N 2 2 207.277 0.975 10 0 BCAELP COc1nccnc1C[NH2+]C1CC[NH2+]CC1 ZINC000095071628 384340420 /nfs/dbraw/zinc/34/04/20/384340420.db2.gz SCZVBPSIKZIZRK-UHFFFAOYSA-N 2 2 222.292 0.327 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072721 384345443 /nfs/dbraw/zinc/34/54/43/384345443.db2.gz FMJAZYULBKPQBL-QMMMGPOBSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072721 384345446 /nfs/dbraw/zinc/34/54/46/384345446.db2.gz FMJAZYULBKPQBL-QMMMGPOBSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+][C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1[NH3+] ZINC000095077208 384353200 /nfs/dbraw/zinc/35/32/00/384353200.db2.gz SRYYLAJFLRDCRK-RYUDHWBXSA-N 2 2 249.314 0.684 10 0 BCAELP C[C@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000149476586 384477844 /nfs/dbraw/zinc/47/78/44/384477844.db2.gz FPVAKKODADSAIF-MWLCHTKSSA-N 2 2 238.335 0.753 10 0 BCAELP Cn1c[nH+]cc1[C@@H]1[C@H]([NH3+])CCC(=O)N1C ZINC000085169011 384508050 /nfs/dbraw/zinc/50/80/50/384508050.db2.gz DEXKKGSSFWGLCX-XCBNKYQSSA-N 2 2 208.265 0.041 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325662 384753092 /nfs/dbraw/zinc/75/30/92/384753092.db2.gz FDNMYSUQXVVNIC-CIUDSAMLSA-N 2 2 200.282 0.075 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325662 384753096 /nfs/dbraw/zinc/75/30/96/384753096.db2.gz FDNMYSUQXVVNIC-CIUDSAMLSA-N 2 2 200.282 0.075 10 0 BCAELP Cn1cc[nH+]c1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924476 384890578 /nfs/dbraw/zinc/89/05/78/384890578.db2.gz JLHCAIWJGQKRJN-NSHDSACASA-N 2 2 238.335 0.183 10 0 BCAELP C[NH+](C)C[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000108952134 385119553 /nfs/dbraw/zinc/11/95/53/385119553.db2.gz HKFQWIVNGHYDEX-LLVKDONJSA-N 2 2 221.304 0.848 10 0 BCAELP [NH3+]Cc1ncccc1C[NH+]1CCOCC1 ZINC000061656408 385128877 /nfs/dbraw/zinc/12/88/77/385128877.db2.gz QJIOAHUASNTOND-UHFFFAOYSA-N 2 2 207.277 0.373 10 0 BCAELP COC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178284008 385350247 /nfs/dbraw/zinc/35/02/47/385350247.db2.gz VMEOJMBQMWCGAX-NSHDSACASA-N 2 2 237.303 0.829 10 0 BCAELP COC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178284008 385350249 /nfs/dbraw/zinc/35/02/49/385350249.db2.gz VMEOJMBQMWCGAX-NSHDSACASA-N 2 2 237.303 0.829 10 0 BCAELP O=C(CC[NH2+]C1CC1)N1CCn2cc[nH+]c2C1 ZINC000062254793 385770004 /nfs/dbraw/zinc/77/00/04/385770004.db2.gz YCBYBZIMJGTVSP-UHFFFAOYSA-N 2 2 234.303 0.367 10 0 BCAELP CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C1 ZINC000393507153 386116012 /nfs/dbraw/zinc/11/60/12/386116012.db2.gz IDFBXVXVFQZEAF-ZJUUUORDSA-N 2 2 200.326 0.735 10 0 BCAELP CCN(CC)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000129486645 386078883 /nfs/dbraw/zinc/07/88/83/386078883.db2.gz GKBPTONWSVJFME-LBPRGKRZSA-N 2 2 241.379 0.929 10 0 BCAELP CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000129486645 386078889 /nfs/dbraw/zinc/07/88/89/386078889.db2.gz GKBPTONWSVJFME-LBPRGKRZSA-N 2 2 241.379 0.929 10 0 BCAELP Cc1noc(CCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000647987664 386278256 /nfs/dbraw/zinc/27/82/56/386278256.db2.gz PCIOPABKMXXYSZ-SCZZXKLOSA-N 2 2 224.308 0.590 10 0 BCAELP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000647987664 386278261 /nfs/dbraw/zinc/27/82/61/386278261.db2.gz PCIOPABKMXXYSZ-SCZZXKLOSA-N 2 2 224.308 0.590 10 0 BCAELP CCc1nnc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1C ZINC000519651860 386520349 /nfs/dbraw/zinc/52/03/49/386520349.db2.gz GWRNEADEMPYODS-UWVGGRQHSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1C ZINC000519651860 386520359 /nfs/dbraw/zinc/52/03/59/386520359.db2.gz GWRNEADEMPYODS-UWVGGRQHSA-N 2 2 237.351 0.547 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[NH2+]C1 ZINC000044502989 386723332 /nfs/dbraw/zinc/72/33/32/386723332.db2.gz WQLLNIKGIFFUJW-SECBINFHSA-N 2 2 246.318 0.775 10 0 BCAELP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000645685078 387267817 /nfs/dbraw/zinc/26/78/17/387267817.db2.gz SNQJRGLJHWYQHG-RKDXNWHRSA-N 2 2 247.289 0.194 10 0 BCAELP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000645685078 387267822 /nfs/dbraw/zinc/26/78/22/387267822.db2.gz SNQJRGLJHWYQHG-RKDXNWHRSA-N 2 2 247.289 0.194 10 0 BCAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2C[NH2+]CCO2)S1 ZINC000575516829 387425267 /nfs/dbraw/zinc/42/52/67/387425267.db2.gz DLCWDDSELWVQPL-IWSPIJDZSA-N 2 2 202.323 0.416 10 0 BCAELP C[C@@H]1CS[C@](C)([C@H]2C[NH2+]CCO2)[NH2+]1 ZINC000575517894 387433687 /nfs/dbraw/zinc/43/36/87/387433687.db2.gz NXEIBGMJBPATLK-IWSPIJDZSA-N 2 2 202.323 0.416 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000440943769 387713743 /nfs/dbraw/zinc/71/37/43/387713743.db2.gz RKKVZEYNWXPIIG-RYUDHWBXSA-N 2 2 239.363 0.729 10 0 BCAELP [NH3+][C@@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC000085012004 388082864 /nfs/dbraw/zinc/08/28/64/388082864.db2.gz ZAQNCFYKYCNTDL-VHSXEESVSA-N 2 2 222.292 0.127 10 0 BCAELP COC(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534067 135165452 /nfs/dbraw/zinc/16/54/52/135165452.db2.gz LRQDWZAIWGOJML-RKDXNWHRSA-N 2 2 214.309 0.607 10 0 BCAELP COC(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534067 135165453 /nfs/dbraw/zinc/16/54/53/135165453.db2.gz LRQDWZAIWGOJML-RKDXNWHRSA-N 2 2 214.309 0.607 10 0 BCAELP C[NH+](C)[C@@H](CNC1=[NH+]CCN1)c1ccsc1 ZINC000069350327 388414469 /nfs/dbraw/zinc/41/44/69/388414469.db2.gz BFESMADIZDAVLU-JTQLQIEISA-N 2 2 238.360 0.900 10 0 BCAELP F[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575461780 388817578 /nfs/dbraw/zinc/81/75/78/388817578.db2.gz LQCLIRHWPSKRIK-DTWKUNHWSA-N 2 2 204.314 0.735 10 0 BCAELP F[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCS2)C1 ZINC000575461780 388817582 /nfs/dbraw/zinc/81/75/82/388817582.db2.gz LQCLIRHWPSKRIK-DTWKUNHWSA-N 2 2 204.314 0.735 10 0 BCAELP C[C@@H](O)[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000575493284 388950568 /nfs/dbraw/zinc/95/05/68/388950568.db2.gz IGQFEZOLASQSLK-DGCLKSJQSA-N 2 2 220.316 0.971 10 0 BCAELP C[C@@H](O)[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000575493284 388950570 /nfs/dbraw/zinc/95/05/70/388950570.db2.gz IGQFEZOLASQSLK-DGCLKSJQSA-N 2 2 220.316 0.971 10 0 BCAELP CCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168806053 134246774 /nfs/dbraw/zinc/24/67/74/134246774.db2.gz RHBWUJLVHSHHLC-LLVKDONJSA-N 2 2 227.352 0.587 10 0 BCAELP CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168806053 134246775 /nfs/dbraw/zinc/24/67/75/134246775.db2.gz RHBWUJLVHSHHLC-LLVKDONJSA-N 2 2 227.352 0.587 10 0 BCAELP C[C@@H]1C(=O)NCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000249103549 135033347 /nfs/dbraw/zinc/03/33/47/135033347.db2.gz WQVYGUZFBZJWHD-VXGBXAGGSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1C(=O)NCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000249103549 135033348 /nfs/dbraw/zinc/03/33/48/135033348.db2.gz WQVYGUZFBZJWHD-VXGBXAGGSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1C(=O)NCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000249103549 135033349 /nfs/dbraw/zinc/03/33/49/135033349.db2.gz WQVYGUZFBZJWHD-VXGBXAGGSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1C(=O)NCCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000249103549 135033351 /nfs/dbraw/zinc/03/33/51/135033351.db2.gz WQVYGUZFBZJWHD-VXGBXAGGSA-N 2 2 239.363 0.681 10 0 BCAELP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000086725071 135095337 /nfs/dbraw/zinc/09/53/37/135095337.db2.gz BHIUNJBSLLSXQO-NSHDSACASA-N 2 2 227.352 0.049 10 0 BCAELP CC(C)(CN[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000086725071 135095339 /nfs/dbraw/zinc/09/53/39/135095339.db2.gz BHIUNJBSLLSXQO-NSHDSACASA-N 2 2 227.352 0.049 10 0 BCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726983 135103055 /nfs/dbraw/zinc/10/30/55/135103055.db2.gz JUOFMTDZVJMFKO-MXWKQRLJSA-N 2 2 227.352 0.569 10 0 BCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000252726983 135103056 /nfs/dbraw/zinc/10/30/56/135103056.db2.gz JUOFMTDZVJMFKO-MXWKQRLJSA-N 2 2 227.352 0.569 10 0 BCAELP C[C@@H]1C[C@@](C(N)=O)([NH+](C)C)C[C@H](C)[N@H+]1C ZINC000253476060 135127178 /nfs/dbraw/zinc/12/71/78/135127178.db2.gz QFNFVCSNLBKWJK-DOFRTFSJSA-N 2 2 213.325 0.275 10 0 BCAELP C[C@@H]1C[C@@](C(N)=O)([NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000253476060 135127179 /nfs/dbraw/zinc/12/71/79/135127179.db2.gz QFNFVCSNLBKWJK-DOFRTFSJSA-N 2 2 213.325 0.275 10 0 BCAELP C[C@H]1C[NH+](Cc2noc(C[NH3+])n2)C[C@@H]1C ZINC000261532031 135161513 /nfs/dbraw/zinc/16/15/13/135161513.db2.gz IURQOPYQWAZTNB-YUMQZZPRSA-N 2 2 210.281 0.616 10 0 BCAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533627 135164776 /nfs/dbraw/zinc/16/47/76/135164776.db2.gz IMXDCSJCXVZFGI-GARJFASQSA-N 2 2 227.352 0.522 10 0 BCAELP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261533627 135164777 /nfs/dbraw/zinc/16/47/77/135164777.db2.gz IMXDCSJCXVZFGI-GARJFASQSA-N 2 2 227.352 0.522 10 0 BCAELP C[C@H]1CCN(Cc2c[nH+]cn2C)[C@H](C[NH3+])C1 ZINC000261533696 135165533 /nfs/dbraw/zinc/16/55/33/135165533.db2.gz KJHHWXNYZLQCJH-QWRGUYRKSA-N 2 2 222.336 0.979 10 0 BCAELP CCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261535539 135169867 /nfs/dbraw/zinc/16/98/67/135169867.db2.gz OMWXIRUVMIPAMT-SECBINFHSA-N 2 2 213.325 0.182 10 0 BCAELP CCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261535539 135169868 /nfs/dbraw/zinc/16/98/68/135169868.db2.gz OMWXIRUVMIPAMT-SECBINFHSA-N 2 2 213.325 0.182 10 0 BCAELP C[C@H]1CC[C@H](C)[NH+]1Cc1noc(C[NH3+])n1 ZINC000261539488 135177789 /nfs/dbraw/zinc/17/77/89/135177789.db2.gz COGAXQJTEJXQNE-YUMQZZPRSA-N 2 2 210.281 0.901 10 0 BCAELP CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000261548528 135187637 /nfs/dbraw/zinc/18/76/37/135187637.db2.gz JMVNIKUZFPRYRL-NSHDSACASA-N 2 2 239.363 0.666 10 0 BCAELP CN(C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1)C1CC1 ZINC000261548528 135187639 /nfs/dbraw/zinc/18/76/39/135187639.db2.gz JMVNIKUZFPRYRL-NSHDSACASA-N 2 2 239.363 0.666 10 0 BCAELP Cc1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000261553698 135192651 /nfs/dbraw/zinc/19/26/51/135192651.db2.gz SRCCLXYKTUDNFA-PSASIEDQSA-N 2 2 227.333 0.121 10 0 BCAELP COC[C@@]1(CNc2cc(C)[nH+]cn2)CCC[NH2+]1 ZINC000261553881 135193371 /nfs/dbraw/zinc/19/33/71/135193371.db2.gz OJPUTANHYCCVGT-LBPRGKRZSA-N 2 2 236.319 0.966 10 0 BCAELP Cc1csc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000261557329 135197627 /nfs/dbraw/zinc/19/76/27/135197627.db2.gz XFBBZGCSOKDYRA-DTWKUNHWSA-N 2 2 227.333 0.121 10 0 BCAELP Cc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000261560944 135202250 /nfs/dbraw/zinc/20/22/50/135202250.db2.gz AJZSYSGNHQGHFP-GHMZBOCLSA-N 2 2 218.304 0.831 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562865 135204388 /nfs/dbraw/zinc/20/43/88/135204388.db2.gz WPTVSPQYWYKHHF-NEPJUHHUSA-N 2 2 239.363 0.537 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261562865 135204389 /nfs/dbraw/zinc/20/43/89/135204389.db2.gz WPTVSPQYWYKHHF-NEPJUHHUSA-N 2 2 239.363 0.537 10 0 BCAELP Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc[nH+]1 ZINC000261562531 135204681 /nfs/dbraw/zinc/20/46/81/135204681.db2.gz BIZQTWSKDHPYCR-AXFHLTTASA-N 2 2 218.304 0.959 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC000261571831 135214138 /nfs/dbraw/zinc/21/41/38/135214138.db2.gz LILGWQKLFSSYKK-GRYCIOLGSA-N 2 2 248.330 0.469 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]12 ZINC000261571833 135214323 /nfs/dbraw/zinc/21/43/23/135214323.db2.gz LILGWQKLFSSYKK-QJPTWQEYSA-N 2 2 248.330 0.469 10 0 BCAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000261573856 135215851 /nfs/dbraw/zinc/21/58/51/135215851.db2.gz JAYCSAHPLPAKKA-UWVGGRQHSA-N 2 2 209.297 0.262 10 0 BCAELP C[C@H]([NH3+])C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000261573856 135215852 /nfs/dbraw/zinc/21/58/52/135215852.db2.gz JAYCSAHPLPAKKA-UWVGGRQHSA-N 2 2 209.297 0.262 10 0 BCAELP CC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261576349 135217701 /nfs/dbraw/zinc/21/77/01/135217701.db2.gz KHPWQWQTCYJJSB-SNVBAGLBSA-N 2 2 213.325 0.324 10 0 BCAELP CC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261576349 135217702 /nfs/dbraw/zinc/21/77/02/135217702.db2.gz KHPWQWQTCYJJSB-SNVBAGLBSA-N 2 2 213.325 0.324 10 0 BCAELP Cc1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261591141 135231900 /nfs/dbraw/zinc/23/19/00/135231900.db2.gz VCABHQFCMPJOLT-IVZWLZJFSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261591141 135231901 /nfs/dbraw/zinc/23/19/01/135231901.db2.gz VCABHQFCMPJOLT-IVZWLZJFSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000261591777 135232438 /nfs/dbraw/zinc/23/24/38/135232438.db2.gz VPRIEWJEJYXFAQ-GHMZBOCLSA-N 2 2 218.304 0.973 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccon3)C[C@@H]12 ZINC000261598092 135236688 /nfs/dbraw/zinc/23/66/88/135236688.db2.gz ZKRLMILRFPJGBV-FBIMIBRVSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccon3)C[C@@H]12 ZINC000261598092 135236689 /nfs/dbraw/zinc/23/66/89/135236689.db2.gz ZKRLMILRFPJGBV-FBIMIBRVSA-N 2 2 207.277 0.844 10 0 BCAELP c1ncc2c(n1)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261794362 135253459 /nfs/dbraw/zinc/25/34/59/135253459.db2.gz GJSQZELPNMDKQR-NSHDSACASA-N 2 2 232.331 0.834 10 0 BCAELP c1ncc2c(n1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261794362 135253460 /nfs/dbraw/zinc/25/34/60/135253460.db2.gz GJSQZELPNMDKQR-NSHDSACASA-N 2 2 232.331 0.834 10 0 BCAELP C[C@@H]([NH3+])CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000261814292 135255620 /nfs/dbraw/zinc/25/56/20/135255620.db2.gz MBRZJSFWCQTQHT-SECBINFHSA-N 2 2 236.319 0.573 10 0 BCAELP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000261938089 135264507 /nfs/dbraw/zinc/26/45/07/135264507.db2.gz MJGIGEBDEWRTJX-JTQLQIEISA-N 2 2 228.336 0.999 10 0 BCAELP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000261938089 135264509 /nfs/dbraw/zinc/26/45/09/135264509.db2.gz MJGIGEBDEWRTJX-JTQLQIEISA-N 2 2 228.336 0.999 10 0 BCAELP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000261938090 135264551 /nfs/dbraw/zinc/26/45/51/135264551.db2.gz MJGIGEBDEWRTJX-SNVBAGLBSA-N 2 2 228.336 0.999 10 0 BCAELP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]1C[NH3+] ZINC000261938090 135264552 /nfs/dbraw/zinc/26/45/52/135264552.db2.gz MJGIGEBDEWRTJX-SNVBAGLBSA-N 2 2 228.336 0.999 10 0 BCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951917 135266457 /nfs/dbraw/zinc/26/64/57/135266457.db2.gz OBRMTUXNFQPIHN-RWMBFGLXSA-N 3 2 223.364 0.479 10 0 BCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951917 135266458 /nfs/dbraw/zinc/26/64/58/135266458.db2.gz OBRMTUXNFQPIHN-RWMBFGLXSA-N 3 2 223.364 0.479 10 0 BCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951917 135266459 /nfs/dbraw/zinc/26/64/59/135266459.db2.gz OBRMTUXNFQPIHN-RWMBFGLXSA-N 3 2 223.364 0.479 10 0 BCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951917 135266460 /nfs/dbraw/zinc/26/64/60/135266460.db2.gz OBRMTUXNFQPIHN-RWMBFGLXSA-N 3 2 223.364 0.479 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000262002096 135271543 /nfs/dbraw/zinc/27/15/43/135271543.db2.gz QDRBCEVWVROUOB-LLVKDONJSA-N 2 2 237.351 0.777 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000262002096 135271545 /nfs/dbraw/zinc/27/15/45/135271545.db2.gz QDRBCEVWVROUOB-LLVKDONJSA-N 2 2 237.351 0.777 10 0 BCAELP O=C(CC[NH2+][C@H]1CC[NH2+]C1)NC1CCCCC1 ZINC000262016183 135273307 /nfs/dbraw/zinc/27/33/07/135273307.db2.gz FUZDENYNNKHGGK-LBPRGKRZSA-N 2 2 239.363 0.777 10 0 BCAELP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262133107 135280578 /nfs/dbraw/zinc/28/05/78/135280578.db2.gz YIHVKWVEBQZSDI-ZJUUUORDSA-N 2 2 228.336 0.855 10 0 BCAELP COC(=O)C(C)(C)CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262133107 135280579 /nfs/dbraw/zinc/28/05/79/135280579.db2.gz YIHVKWVEBQZSDI-ZJUUUORDSA-N 2 2 228.336 0.855 10 0 BCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1F ZINC000262165097 135283342 /nfs/dbraw/zinc/28/33/42/135283342.db2.gz UFYOBXYODPNSKO-JQWIXIFHSA-N 2 2 224.279 0.496 10 0 BCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000263229048 135340730 /nfs/dbraw/zinc/34/07/30/135340730.db2.gz NEBSPVJOBZDUEM-JOYOIKCWSA-N 2 2 242.269 0.635 10 0 BCAELP CCc1cnc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263267847 135343520 /nfs/dbraw/zinc/34/35/20/135343520.db2.gz RTWVUWVXGHVVHL-PSASIEDQSA-N 2 2 241.360 0.375 10 0 BCAELP O=C(NCc1ccn2cc[nH+]c2c1)C1C[NH2+]C1 ZINC000263294810 135345187 /nfs/dbraw/zinc/34/51/87/135345187.db2.gz MEIHTZTXPRMSRS-UHFFFAOYSA-N 2 2 230.271 0.170 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCc1[nH+]ccn1C ZINC000129057800 410367351 /nfs/dbraw/zinc/36/73/51/410367351.db2.gz AYAUDAHPRPAHEQ-SECBINFHSA-N 2 2 224.308 0.410 10 0 BCAELP C[C@H](CO)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000395339006 410847611 /nfs/dbraw/zinc/84/76/11/410847611.db2.gz YLLLICCWQHXXSD-OUAUKWLOSA-N 2 2 200.326 0.687 10 0 BCAELP C[C@H](CO)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000395339006 410847617 /nfs/dbraw/zinc/84/76/17/410847617.db2.gz YLLLICCWQHXXSD-OUAUKWLOSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)NC(=[NH2+])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062985252 167036049 /nfs/dbraw/zinc/03/60/49/167036049.db2.gz DCKQNUGWVNYGDJ-NSHDSACASA-N 2 2 240.351 0.326 10 0 BCAELP CC(C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccncc1 ZINC000036775807 167114102 /nfs/dbraw/zinc/11/41/02/167114102.db2.gz GJHRDXXRJKYNNF-ZDUSSCGKSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccncc1 ZINC000036775807 167114104 /nfs/dbraw/zinc/11/41/04/167114104.db2.gz GJHRDXXRJKYNNF-ZDUSSCGKSA-N 2 2 237.347 0.872 10 0 BCAELP C[C@H]([NH3+])CNc1ncnc2c1C[N@H+](C)CC2 ZINC000212470274 411147456 /nfs/dbraw/zinc/14/74/56/411147456.db2.gz BYBQAWYMZLATHX-QMMMGPOBSA-N 2 2 221.308 0.224 10 0 BCAELP C[C@H]([NH3+])CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000212470274 411147457 /nfs/dbraw/zinc/14/74/57/411147457.db2.gz BYBQAWYMZLATHX-QMMMGPOBSA-N 2 2 221.308 0.224 10 0 BCAELP Nc1cc([C@@H]2CC[N@H+](CCO)C2)cc[nH+]1 ZINC000616614412 411280570 /nfs/dbraw/zinc/28/05/70/411280570.db2.gz NNMNQWSOGAMZEC-SNVBAGLBSA-N 2 2 207.277 0.445 10 0 BCAELP Nc1cc([C@@H]2CC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616614412 411280571 /nfs/dbraw/zinc/28/05/71/411280571.db2.gz NNMNQWSOGAMZEC-SNVBAGLBSA-N 2 2 207.277 0.445 10 0 BCAELP Nc1ccc([C@@H]2COCCN(CC[NH3+])C2)c[nH+]1 ZINC000616662821 411287224 /nfs/dbraw/zinc/28/72/24/411287224.db2.gz FZHVLPLLPVLYEK-NSHDSACASA-N 2 2 236.319 0.038 10 0 BCAELP Nc1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cn1 ZINC000616612061 411287716 /nfs/dbraw/zinc/28/77/16/411287716.db2.gz LPTSURUCFWWJTF-JTQLQIEISA-N 2 2 206.293 0.412 10 0 BCAELP Nc1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cn1 ZINC000616612061 411287719 /nfs/dbraw/zinc/28/77/19/411287719.db2.gz LPTSURUCFWWJTF-JTQLQIEISA-N 2 2 206.293 0.412 10 0 BCAELP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2O)n1C ZINC000657377754 411487329 /nfs/dbraw/zinc/48/73/29/411487329.db2.gz GANGJFJGUCEEDK-ZYHUDNBSSA-N 2 2 223.320 0.979 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCO[C@H]2C)n1C ZINC000657422270 411503308 /nfs/dbraw/zinc/50/33/08/411503308.db2.gz VJIMIAPVLSQSER-GZMMTYOYSA-N 2 2 209.293 0.996 10 0 BCAELP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628210 170061244 /nfs/dbraw/zinc/06/12/44/170061244.db2.gz LLXLJNNIVANBSO-YOGCLGLASA-N 2 2 239.363 0.727 10 0 BCAELP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628210 170061246 /nfs/dbraw/zinc/06/12/46/170061246.db2.gz LLXLJNNIVANBSO-YOGCLGLASA-N 2 2 239.363 0.727 10 0 BCAELP CC[NH2+]C(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000061278476 170106572 /nfs/dbraw/zinc/10/65/72/170106572.db2.gz OANZDVXEPJMWBJ-UHFFFAOYSA-N 2 2 213.325 0.149 10 0 BCAELP CC[NH2+]C[C@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254866 170121830 /nfs/dbraw/zinc/12/18/30/170121830.db2.gz MDEUBRFZZZDAFK-JTQLQIEISA-N 2 2 236.319 0.471 10 0 BCAELP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000104417300 170158495 /nfs/dbraw/zinc/15/84/95/170158495.db2.gz ZTQZGJDIVDNJAI-VXGBXAGGSA-N 2 2 241.379 0.785 10 0 BCAELP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000104417300 170158496 /nfs/dbraw/zinc/15/84/96/170158496.db2.gz ZTQZGJDIVDNJAI-VXGBXAGGSA-N 2 2 241.379 0.785 10 0 BCAELP Cc1cc(NCCOCCC[NH3+])nc[nH+]1 ZINC000630538306 411650483 /nfs/dbraw/zinc/65/04/83/411650483.db2.gz YCQKCYLUZGDXKZ-UHFFFAOYSA-N 2 2 210.281 0.562 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C1CCC1 ZINC000661157008 411722860 /nfs/dbraw/zinc/72/28/60/411722860.db2.gz ZTMZEUMVALJJQR-RYUDHWBXSA-N 2 2 212.337 0.831 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C1CCC1 ZINC000661157008 411722867 /nfs/dbraw/zinc/72/28/67/411722867.db2.gz ZTMZEUMVALJJQR-RYUDHWBXSA-N 2 2 212.337 0.831 10 0 BCAELP C[N@@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616599501 411896085 /nfs/dbraw/zinc/89/60/85/411896085.db2.gz ZVWSOIZJTLJTDF-JTQLQIEISA-N 2 2 207.277 0.709 10 0 BCAELP C[N@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616599501 411896088 /nfs/dbraw/zinc/89/60/88/411896088.db2.gz ZVWSOIZJTLJTDF-JTQLQIEISA-N 2 2 207.277 0.709 10 0 BCAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1cc[nH+]c1 ZINC000043232517 170867548 /nfs/dbraw/zinc/86/75/48/170867548.db2.gz JQFKVTUQWFDGNK-GHMZBOCLSA-N 2 2 219.292 0.943 10 0 BCAELP Nc1ccc(C2CC[NH+](CC[NH3+])CC2)c[nH+]1 ZINC000616619637 411976221 /nfs/dbraw/zinc/97/62/21/411976221.db2.gz PQWSYGZPPFJEQA-UHFFFAOYSA-N 3 2 220.320 0.802 10 0 BCAELP Nc1cc([C@@H]2CCC[N@H+](CCO)C2)cc[nH+]1 ZINC000616621725 411946749 /nfs/dbraw/zinc/94/67/49/411946749.db2.gz WUVPARZDJPODQK-LLVKDONJSA-N 2 2 221.304 0.836 10 0 BCAELP Nc1cc([C@@H]2CCC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616621725 411946754 /nfs/dbraw/zinc/94/67/54/411946754.db2.gz WUVPARZDJPODQK-LLVKDONJSA-N 2 2 221.304 0.836 10 0 BCAELP CC[C@@](C)(O)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000123570785 171178530 /nfs/dbraw/zinc/17/85/30/171178530.db2.gz RXQLWNOIPSFWHA-VXGBXAGGSA-N 2 2 230.352 0.410 10 0 BCAELP CC[C@@](C)(O)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000123570785 171178532 /nfs/dbraw/zinc/17/85/32/171178532.db2.gz RXQLWNOIPSFWHA-VXGBXAGGSA-N 2 2 230.352 0.410 10 0 BCAELP CCc1[nH+]c2ccccc2n1C[C@](C)([NH3+])C(N)=O ZINC000062808021 172013191 /nfs/dbraw/zinc/01/31/91/172013191.db2.gz WGXQOROAZSUMSE-ZDUSSCGKSA-N 2 2 246.314 0.801 10 0 BCAELP CCn1cc[nH+]c1Cn1ccnc1C[NH3+] ZINC000054743861 172226529 /nfs/dbraw/zinc/22/65/29/172226529.db2.gz VKDSEWFFPAKLQK-UHFFFAOYSA-N 2 2 205.265 0.607 10 0 BCAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C(C)(C)CO ZINC000054240427 173005995 /nfs/dbraw/zinc/00/59/95/173005995.db2.gz KJLRIBCXJQBOQV-SNVBAGLBSA-N 2 2 200.326 0.831 10 0 BCAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C(C)(C)CO ZINC000054240427 173005996 /nfs/dbraw/zinc/00/59/96/173005996.db2.gz KJLRIBCXJQBOQV-SNVBAGLBSA-N 2 2 200.326 0.831 10 0 BCAELP CN1CCC[N@H+](C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053864003 173014184 /nfs/dbraw/zinc/01/41/84/173014184.db2.gz DSIGAFNEVBFLFZ-RYUDHWBXSA-N 2 2 211.353 0.751 10 0 BCAELP CN1CCC[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053864003 173014186 /nfs/dbraw/zinc/01/41/86/173014186.db2.gz DSIGAFNEVBFLFZ-RYUDHWBXSA-N 2 2 211.353 0.751 10 0 BCAELP CN1CC[NH+](CCNc2cc[nH+]cc2N)CC1 ZINC000037759536 173083284 /nfs/dbraw/zinc/08/32/84/173083284.db2.gz WPNGWGIYZZESNI-UHFFFAOYSA-N 2 2 235.335 0.323 10 0 BCAELP C[NH+]1CCN(Nc2[nH+]cnc(Cl)c2N)CC1 ZINC000040571829 173092015 /nfs/dbraw/zinc/09/20/15/173092015.db2.gz FUMUSXVTTYHPLO-UHFFFAOYSA-N 2 2 242.714 0.287 10 0 BCAELP C[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000061984761 173153465 /nfs/dbraw/zinc/15/34/65/173153465.db2.gz JJARRXSYHLABGV-NSHDSACASA-N 2 2 245.330 0.566 10 0 BCAELP C[N@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000061984761 173153467 /nfs/dbraw/zinc/15/34/67/173153467.db2.gz JJARRXSYHLABGV-NSHDSACASA-N 2 2 245.330 0.566 10 0 BCAELP CNC(=O)C1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948812 173224667 /nfs/dbraw/zinc/22/46/67/173224667.db2.gz LUPAQDIZXSVBQK-PWSUYJOCSA-N 2 2 239.363 0.585 10 0 BCAELP CNC(=O)C[N@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000035731457 173267842 /nfs/dbraw/zinc/26/78/42/173267842.db2.gz FSFPNFKFEMOLHA-LBPRGKRZSA-N 2 2 235.331 0.407 10 0 BCAELP CNC(=O)C[N@@H+](C)C[C@H](C[NH3+])c1ccccc1 ZINC000035731457 173267845 /nfs/dbraw/zinc/26/78/45/173267845.db2.gz FSFPNFKFEMOLHA-LBPRGKRZSA-N 2 2 235.331 0.407 10 0 BCAELP CNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000104414729 173273681 /nfs/dbraw/zinc/27/36/81/173273681.db2.gz KWGLRNSVGYKJPJ-NSHDSACASA-N 2 2 241.379 0.833 10 0 BCAELP CNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000104414729 173273682 /nfs/dbraw/zinc/27/36/82/173273682.db2.gz KWGLRNSVGYKJPJ-NSHDSACASA-N 2 2 241.379 0.833 10 0 BCAELP CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100583 173274893 /nfs/dbraw/zinc/27/48/93/173274893.db2.gz RFAGQRMYUGEJQF-LLVKDONJSA-N 2 2 248.330 0.561 10 0 BCAELP CNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100583 173274894 /nfs/dbraw/zinc/27/48/94/173274894.db2.gz RFAGQRMYUGEJQF-LLVKDONJSA-N 2 2 248.330 0.561 10 0 BCAELP C[NH2+]C(C)(C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000061317741 173318198 /nfs/dbraw/zinc/31/81/98/173318198.db2.gz MGLWGSIEMNMTMH-UHFFFAOYSA-N 2 2 225.336 0.291 10 0 BCAELP C[NH2+]C[C@@H](C)C[N@@H+]1CCOCC1(C)C ZINC000052546056 173363832 /nfs/dbraw/zinc/36/38/32/173363832.db2.gz GIOBVNNNENJJPS-SNVBAGLBSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@@H](C)C[N@H+]1CCOCC1(C)C ZINC000052546056 173363833 /nfs/dbraw/zinc/36/38/33/173363833.db2.gz GIOBVNNNENJJPS-SNVBAGLBSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](C)C[N@@H+]1CCOCC1(C)C ZINC000052546055 173375234 /nfs/dbraw/zinc/37/52/34/173375234.db2.gz GIOBVNNNENJJPS-JTQLQIEISA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](C)C[N@H+]1CCOCC1(C)C ZINC000052546055 173375235 /nfs/dbraw/zinc/37/52/35/173375235.db2.gz GIOBVNNNENJJPS-JTQLQIEISA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000052481754 173375454 /nfs/dbraw/zinc/37/54/54/173375454.db2.gz QUVHBUBKCBBZAS-JTQLQIEISA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000052481754 173375456 /nfs/dbraw/zinc/37/54/56/173375456.db2.gz QUVHBUBKCBBZAS-JTQLQIEISA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@H](C)O ZINC000134118789 173378106 /nfs/dbraw/zinc/37/81/06/173378106.db2.gz LXUJQOCAZGQSBH-WDEREUQCSA-N 2 2 200.326 0.831 10 0 BCAELP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@H](C)O ZINC000134118789 173378109 /nfs/dbraw/zinc/37/81/09/173378109.db2.gz LXUJQOCAZGQSBH-WDEREUQCSA-N 2 2 200.326 0.831 10 0 BCAELP COC1CC[NH+]([C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305437 174032495 /nfs/dbraw/zinc/03/24/95/174032495.db2.gz RZUNKHXYYRBPSP-QWRGUYRKSA-N 2 2 214.309 0.213 10 0 BCAELP COCC[N@H+](CC[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000053433551 174292213 /nfs/dbraw/zinc/29/22/13/174292213.db2.gz DPKZAYHEWHTKAJ-CYBMUJFWSA-N 2 2 242.363 0.866 10 0 BCAELP COCC[N@@H+](CC[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000053433551 174292214 /nfs/dbraw/zinc/29/22/14/174292214.db2.gz DPKZAYHEWHTKAJ-CYBMUJFWSA-N 2 2 242.363 0.866 10 0 BCAELP COc1cc([C@H]([NH3+])C[NH3+])c(F)cc1O ZINC000072200561 175017130 /nfs/dbraw/zinc/01/71/30/175017130.db2.gz MNFYRBCIQXDHFY-SSDOTTSWSA-N 2 2 200.213 0.498 10 0 BCAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCSCC2)CCO1 ZINC000042334914 176280558 /nfs/dbraw/zinc/28/05/58/176280558.db2.gz CKKSCIJZUFCEET-SNVBAGLBSA-N 2 2 230.377 0.932 10 0 BCAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCSCC2)CCO1 ZINC000042334914 176280560 /nfs/dbraw/zinc/28/05/60/176280560.db2.gz CKKSCIJZUFCEET-SNVBAGLBSA-N 2 2 230.377 0.932 10 0 BCAELP C[C@@H]1C[N@H+](CCC[NH+](C)C)C[C@H](CC[NH3+])O1 ZINC000071534305 176289311 /nfs/dbraw/zinc/28/93/11/176289311.db2.gz YLFLCZDLDMXXAV-NEPJUHHUSA-N 3 2 229.368 0.376 10 0 BCAELP C[C@@H]1C[N@@H+](CCC[NH+](C)C)C[C@H](CC[NH3+])O1 ZINC000071534305 176289313 /nfs/dbraw/zinc/28/93/13/176289313.db2.gz YLFLCZDLDMXXAV-NEPJUHHUSA-N 3 2 229.368 0.376 10 0 BCAELP C[C@@H]1COCC[N@@H+]1Cc1occc1C[NH3+] ZINC000052475850 176336983 /nfs/dbraw/zinc/33/69/83/176336983.db2.gz WIAKLKVDPFHUQV-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1COCC[N@H+]1Cc1occc1C[NH3+] ZINC000052475850 176336985 /nfs/dbraw/zinc/33/69/85/176336985.db2.gz WIAKLKVDPFHUQV-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1COCC[N@@H+]1Cc1cccnc1C[NH3+] ZINC000061656560 176337195 /nfs/dbraw/zinc/33/71/95/176337195.db2.gz AIJHIZNUHZPDPK-SNVBAGLBSA-N 2 2 221.304 0.761 10 0 BCAELP C[C@@H]1COCC[N@H+]1Cc1cccnc1C[NH3+] ZINC000061656560 176337197 /nfs/dbraw/zinc/33/71/97/176337197.db2.gz AIJHIZNUHZPDPK-SNVBAGLBSA-N 2 2 221.304 0.761 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[N@@H+]1C ZINC000089920307 176379733 /nfs/dbraw/zinc/37/97/33/176379733.db2.gz SWHWXBREZMEPNY-KKOKHZNYSA-N 2 2 212.337 0.972 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C[N@H+]1C ZINC000089920307 176379735 /nfs/dbraw/zinc/37/97/35/176379735.db2.gz SWHWXBREZMEPNY-KKOKHZNYSA-N 2 2 212.337 0.972 10 0 BCAELP C[C@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062256678 177196326 /nfs/dbraw/zinc/19/63/26/177196326.db2.gz QQBPAHXLRDBEBM-QWRGUYRKSA-N 2 2 248.330 0.613 10 0 BCAELP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438595 177198034 /nfs/dbraw/zinc/19/80/34/177198034.db2.gz NCYUOIGLPBZHNU-FIQHERPVSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438595 177198035 /nfs/dbraw/zinc/19/80/35/177198035.db2.gz NCYUOIGLPBZHNU-FIQHERPVSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000104138637 177223622 /nfs/dbraw/zinc/22/36/22/177223622.db2.gz QPPSPDPCCTZQMP-WCQYABFASA-N 2 2 247.342 0.849 10 0 BCAELP C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000104138637 177223624 /nfs/dbraw/zinc/22/36/24/177223624.db2.gz QPPSPDPCCTZQMP-WCQYABFASA-N 2 2 247.342 0.849 10 0 BCAELP C[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1[NH3+] ZINC000300048430 177256717 /nfs/dbraw/zinc/25/67/17/177256717.db2.gz JTGDJMIRGWMQBV-GXSJLCMTSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1[NH3+] ZINC000300048430 177256718 /nfs/dbraw/zinc/25/67/18/177256718.db2.gz JTGDJMIRGWMQBV-GXSJLCMTSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000314925464 487669686 /nfs/dbraw/zinc/66/96/86/487669686.db2.gz QBBBQMYRKUNPEO-CMPLNLGQSA-N 3 2 222.336 0.632 10 0 BCAELP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000314925464 487669693 /nfs/dbraw/zinc/66/96/93/487669693.db2.gz QBBBQMYRKUNPEO-CMPLNLGQSA-N 3 2 222.336 0.632 10 0 BCAELP Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c(C)[nH+]1 ZINC000649301712 487728342 /nfs/dbraw/zinc/72/83/42/487728342.db2.gz PWVOEZBISYIYEM-LLVKDONJSA-N 2 2 249.314 0.873 10 0 BCAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000089460282 487822439 /nfs/dbraw/zinc/82/24/39/487822439.db2.gz ZDWMLPKRQGQDAX-MNOVXSKESA-N 2 2 236.319 0.374 10 0 BCAELP C[N@@H+](Cc1cn[nH]c1)C[C@H]1CC[NH+](C)C1 ZINC000681919633 487868040 /nfs/dbraw/zinc/86/80/40/487868040.db2.gz DVNZSEFRCPWTAO-JTQLQIEISA-N 2 2 208.309 0.793 10 0 BCAELP C[N@H+](Cc1cn[nH]c1)C[C@H]1CC[NH+](C)C1 ZINC000681919633 487868044 /nfs/dbraw/zinc/86/80/44/487868044.db2.gz DVNZSEFRCPWTAO-JTQLQIEISA-N 2 2 208.309 0.793 10 0 BCAELP C[NH+](Cc1cn[nH]c1)C[C@H]1CC[N@H+](C)C1 ZINC000681919633 487868049 /nfs/dbraw/zinc/86/80/49/487868049.db2.gz DVNZSEFRCPWTAO-JTQLQIEISA-N 2 2 208.309 0.793 10 0 BCAELP C[NH+](Cc1cn[nH]c1)C[C@H]1CC[N@@H+](C)C1 ZINC000681919633 487868051 /nfs/dbraw/zinc/86/80/51/487868051.db2.gz DVNZSEFRCPWTAO-JTQLQIEISA-N 2 2 208.309 0.793 10 0 BCAELP CC[N@H+](C)C[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000310437622 323131419 /nfs/dbraw/zinc/13/14/19/323131419.db2.gz UYGOMCWIIXZDAV-LLVKDONJSA-N 2 2 238.335 0.011 10 0 BCAELP CC[N@@H+](C)C[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000310437622 323131420 /nfs/dbraw/zinc/13/14/20/323131420.db2.gz UYGOMCWIIXZDAV-LLVKDONJSA-N 2 2 238.335 0.011 10 0 BCAELP C[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000158826781 326344543 /nfs/dbraw/zinc/34/45/43/326344543.db2.gz WKBDUURHFMRJHQ-LLVKDONJSA-N 2 2 222.292 0.211 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1C ZINC000568512149 326361682 /nfs/dbraw/zinc/36/16/82/326361682.db2.gz ILLPYBDCXISVMJ-ZJUUUORDSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1C ZINC000568512149 326361685 /nfs/dbraw/zinc/36/16/85/326361685.db2.gz ILLPYBDCXISVMJ-ZJUUUORDSA-N 2 2 237.351 0.547 10 0 BCAELP Cc1noc(CCC[N@@H+]2CCC[C@H]2C[NH3+])n1 ZINC000568884472 326381264 /nfs/dbraw/zinc/38/12/64/326381264.db2.gz MTWVYOOEISAAHE-JTQLQIEISA-N 2 2 224.308 0.734 10 0 BCAELP Cc1noc(CCC[N@H+]2CCC[C@H]2C[NH3+])n1 ZINC000568884472 326381266 /nfs/dbraw/zinc/38/12/66/326381266.db2.gz MTWVYOOEISAAHE-JTQLQIEISA-N 2 2 224.308 0.734 10 0 BCAELP Nc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000309644734 488011234 /nfs/dbraw/zinc/01/12/34/488011234.db2.gz VRPDKWGISWBYAI-SNVBAGLBSA-N 2 2 206.293 0.587 10 0 BCAELP Nc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cn1 ZINC000309644734 488011237 /nfs/dbraw/zinc/01/12/37/488011237.db2.gz VRPDKWGISWBYAI-SNVBAGLBSA-N 2 2 206.293 0.587 10 0 BCAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000084311248 488044934 /nfs/dbraw/zinc/04/49/34/488044934.db2.gz VHZXENLFCLGPAK-BDAKNGLRSA-N 2 2 222.292 0.401 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)N1CCn2cc[nH+]c2C1 ZINC000136457310 488103494 /nfs/dbraw/zinc/10/34/94/488103494.db2.gz SAQUMGVICJQKPJ-SNVBAGLBSA-N 2 2 236.319 0.599 10 0 BCAELP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000094647540 487547690 /nfs/dbraw/zinc/54/76/90/487547690.db2.gz SMXZYKNYXIGWIL-MNOVXSKESA-N 2 2 236.319 0.387 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000167901845 487475356 /nfs/dbraw/zinc/47/53/56/487475356.db2.gz SIKGIGYVHPHCBH-NSHDSACASA-N 2 2 222.336 0.906 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000167901845 487475359 /nfs/dbraw/zinc/47/53/59/487475359.db2.gz SIKGIGYVHPHCBH-NSHDSACASA-N 2 2 222.336 0.906 10 0 BCAELP CCn1cc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)nn1 ZINC000404459235 488161967 /nfs/dbraw/zinc/16/19/67/488161967.db2.gz PQQXIUKCLHURGV-ZJUUUORDSA-N 2 2 223.324 0.386 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400434913 533910483 /nfs/dbraw/zinc/91/04/83/533910483.db2.gz LAXBCZKIEAMENT-SRVKXCTJSA-N 2 2 227.352 0.047 10 0 BCAELP CC[NH2+][C@@H](Cn1cc[nH+]c1C)C(=O)OC ZINC000045432815 582879515 /nfs/dbraw/zinc/87/95/15/582879515.db2.gz SANMCFTWNZGASM-VIFPVBQESA-N 2 2 211.265 0.343 10 0 BCAELP CCc1[nH+]ccn1C[C@](C)([NH3+])C(=O)OC ZINC000045460753 582880206 /nfs/dbraw/zinc/88/02/06/582880206.db2.gz RNJJCDCTCCHRLC-JTQLQIEISA-N 2 2 211.265 0.336 10 0 BCAELP C[C@H]1CC(C(N)=O)([NH+](C)C)C[C@H](C)[NH+]1C ZINC000057354462 526220267 /nfs/dbraw/zinc/22/02/67/526220267.db2.gz QFNFVCSNLBKWJK-IUCAKERBSA-N 2 2 213.325 0.275 10 0 BCAELP [NH3+]Cc1nc([C@H]([NH3+])c2cc(F)ccc2F)no1 ZINC000095532989 527265509 /nfs/dbraw/zinc/26/55/09/527265509.db2.gz KBXKIOACOGGLQB-SECBINFHSA-N 2 2 240.213 0.855 10 0 BCAELP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000086725068 535154070 /nfs/dbraw/zinc/15/40/70/535154070.db2.gz BHIUNJBSLLSXQO-LLVKDONJSA-N 2 2 227.352 0.049 10 0 BCAELP CC(C)(CN[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000086725068 535154075 /nfs/dbraw/zinc/15/40/75/535154075.db2.gz BHIUNJBSLLSXQO-LLVKDONJSA-N 2 2 227.352 0.049 10 0 BCAELP CC(C)n1cc[nH+]c1CN1CC[C@H]1C[NH3+] ZINC000757140472 582520945 /nfs/dbraw/zinc/52/09/45/582520945.db2.gz BWYMHJGHEPKDJN-JTQLQIEISA-N 2 2 208.309 0.997 10 0 BCAELP CCc1[nH+]ccn1C[C@@H]([NH2+]C)C(=O)OC ZINC000045460468 582879930 /nfs/dbraw/zinc/87/99/30/582879930.db2.gz ODCCJIBLBBFOLB-MRVPVSSYSA-N 2 2 211.265 0.207 10 0 BCAELP COC(=O)[C@@H]([NH3+])Cn1cc[nH+]c1C1CC1 ZINC000704212782 582941388 /nfs/dbraw/zinc/94/13/88/582941388.db2.gz KTTPHVVLTHVFRM-QMMMGPOBSA-N 2 2 209.249 0.261 10 0 BCAELP CC(C)NC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491424 583801189 /nfs/dbraw/zinc/80/11/89/583801189.db2.gz ZRTAPBKLXLMKJI-UHFFFAOYSA-N 2 2 228.340 0.117 10 0 BCAELP CCN1CCO[C@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000385382564 585037188 /nfs/dbraw/zinc/03/71/88/585037188.db2.gz SKBREXSZSGLXRL-ZJUUUORDSA-N 2 2 224.308 0.141 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000757227136 586442754 /nfs/dbraw/zinc/44/27/54/586442754.db2.gz AWQHMMSGRMIVMH-JMJZKYOTSA-N 2 2 208.309 0.901 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@H](C)C[C@H]2[NH3+])cn1 ZINC000757235785 586443528 /nfs/dbraw/zinc/44/35/28/586443528.db2.gz MTGUWQZLEAVQMW-IEBDPFPHSA-N 2 2 208.309 0.901 10 0 BCAELP OCC[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000310036920 632696754 /nfs/dbraw/zinc/69/67/54/632696754.db2.gz UQEJMOXXJSAIKL-UHFFFAOYSA-N 2 2 224.304 0.826 10 0 BCAELP Cc1nonc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309275820 632876629 /nfs/dbraw/zinc/87/66/29/632876629.db2.gz DSYPASMOSYZHSQ-GUBZILKMSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1nonc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309275820 632876631 /nfs/dbraw/zinc/87/66/31/632876631.db2.gz DSYPASMOSYZHSQ-GUBZILKMSA-N 2 2 222.292 0.547 10 0 BCAELP C[NH2+][C@H]1CCN(c2cc(N(C)C)[nH+]cn2)C1 ZINC000258600977 635171275 /nfs/dbraw/zinc/17/12/75/635171275.db2.gz BCZRDWFESNDNGR-VIFPVBQESA-N 2 2 221.308 0.341 10 0 BCAELP CCOC(=O)[C@@](C)([NH3+])Cn1cc[nH+]c1CC ZINC000045460516 640565652 /nfs/dbraw/zinc/56/56/52/640565652.db2.gz FOWQKNBCKHHRFV-NSHDSACASA-N 2 2 225.292 0.726 10 0 BCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000252954914 643149112 /nfs/dbraw/zinc/14/91/12/643149112.db2.gz IDYGZLLCOBWVJW-FDYHWXHSSA-N 2 2 242.363 0.911 10 0 BCAELP CCOC(=O)[C@]1([NH3+])CC[C@H](n2cc[nH+]c2)C1 ZINC000086626610 643635919 /nfs/dbraw/zinc/63/59/19/643635919.db2.gz QWSPGTLLRSYGDJ-ONGXEEELSA-N 2 2 223.276 0.869 10 0 BCAELP CC[NH2+][C@]1(C(N)=O)CC[C@H](n2cc[nH+]c2)C1 ZINC000086626562 643636769 /nfs/dbraw/zinc/63/67/69/643636769.db2.gz YRAYZJDGHIFMQB-GXSJLCMTSA-N 2 2 222.292 0.442 10 0 BCAELP CN(C)c1cc(N2CCC[C@H]2C[NH3+])nc[nH+]1 ZINC000258738381 711741125 /nfs/dbraw/zinc/74/11/25/711741125.db2.gz NONGAIOTVBAYEF-VIFPVBQESA-N 2 2 221.308 0.470 10 0 BCAELP Cc1nonc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830073 712200178 /nfs/dbraw/zinc/20/01/78/712200178.db2.gz JTOQIAQOXUPFRK-CBAPKCEASA-N 2 2 210.281 0.405 10 0 BCAELP Cc1nonc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830073 712200180 /nfs/dbraw/zinc/20/01/80/712200180.db2.gz JTOQIAQOXUPFRK-CBAPKCEASA-N 2 2 210.281 0.405 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC000724913729 710746419 /nfs/dbraw/zinc/74/64/19/710746419.db2.gz IAXLSQDCNFRKAA-WDEREUQCSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCO[C@@H]1CCOC1 ZINC000724913729 710746421 /nfs/dbraw/zinc/74/64/21/710746421.db2.gz IAXLSQDCNFRKAA-WDEREUQCSA-N 2 2 214.309 0.215 10 0 BCAELP C([C@@H]1CCCO1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257680829 711726497 /nfs/dbraw/zinc/72/64/97/711726497.db2.gz KYTRJBOCNVUZID-RYUDHWBXSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@@H]1CCCO1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000257680829 711726498 /nfs/dbraw/zinc/72/64/98/711726498.db2.gz KYTRJBOCNVUZID-RYUDHWBXSA-N 2 2 210.321 0.993 10 0 BCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708893514 712202570 /nfs/dbraw/zinc/20/25/70/712202570.db2.gz KTZSVTJACMBEEV-WDEREUQCSA-N 2 2 248.392 0.338 10 0 BCAELP CCCS(=O)(=O)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708893514 712202571 /nfs/dbraw/zinc/20/25/71/712202571.db2.gz KTZSVTJACMBEEV-WDEREUQCSA-N 2 2 248.392 0.338 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000714430998 712486337 /nfs/dbraw/zinc/48/63/37/712486337.db2.gz YZENDTIGZPOXAT-DLOVCJGASA-N 2 2 235.335 0.467 10 0 BCAELP CCn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1 ZINC000714430998 712486338 /nfs/dbraw/zinc/48/63/38/712486338.db2.gz YZENDTIGZPOXAT-DLOVCJGASA-N 2 2 235.335 0.467 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)nn1 ZINC000714454080 712490263 /nfs/dbraw/zinc/49/02/63/712490263.db2.gz BIZNWWZVLJGGCP-VHSXEESVSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)nn1 ZINC000714454080 712490264 /nfs/dbraw/zinc/49/02/64/712490264.db2.gz BIZNWWZVLJGGCP-VHSXEESVSA-N 2 2 223.324 0.325 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582718 712855002 /nfs/dbraw/zinc/85/50/02/712855002.db2.gz IXBVSSJTGXGBCG-UWVGGRQHSA-N 2 2 223.324 0.465 10 0 BCAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cn(C)nn1 ZINC000720604336 712858041 /nfs/dbraw/zinc/85/80/41/712858041.db2.gz ZQONNFWRMXPSMM-LPEHRKFASA-N 2 2 223.324 0.464 10 0 BCAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685953143 538897637 /nfs/dbraw/zinc/89/76/37/538897637.db2.gz GLPZPPDAXZXHBC-LLVKDONJSA-N 3 2 211.353 0.892 10 0 BCAELP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](C)CC2 ZINC000685953143 538897639 /nfs/dbraw/zinc/89/76/39/538897639.db2.gz GLPZPPDAXZXHBC-LLVKDONJSA-N 3 2 211.353 0.892 10 0 BCAELP CC(C)N1CC[C@@H]([NH3+])[C@]12C[NH+]1CCC2CC1 ZINC000685955212 538900498 /nfs/dbraw/zinc/90/04/98/538900498.db2.gz WITDNCHBQACLQS-CHWSQXEVSA-N 2 2 223.364 0.892 10 0 BCAELP CCC(CC)(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000037943890 168313317 /nfs/dbraw/zinc/31/33/17/168313317.db2.gz RCCXQUCXHMGQOI-UHFFFAOYSA-N 2 2 213.325 0.326 10 0 BCAELP CCC(CC)(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000037943890 168313319 /nfs/dbraw/zinc/31/33/19/168313319.db2.gz RCCXQUCXHMGQOI-UHFFFAOYSA-N 2 2 213.325 0.326 10 0 BCAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCSC[C@@H](C)C1 ZINC000307361809 398138468 /nfs/dbraw/zinc/13/84/68/398138468.db2.gz HZXCLSCTFSWIEO-YUMQZZPRSA-N 2 2 201.339 0.996 10 0 BCAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCSC[C@@H](C)C1 ZINC000307361809 398138470 /nfs/dbraw/zinc/13/84/70/398138470.db2.gz HZXCLSCTFSWIEO-YUMQZZPRSA-N 2 2 201.339 0.996 10 0 BCAELP Nc1cc[nH+]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000141800477 136212225 /nfs/dbraw/zinc/21/22/25/136212225.db2.gz JTSVEJRRTXFZNA-UHFFFAOYSA-N 2 2 231.259 0.359 10 0 BCAELP Cn1cc[nH+]c1[C@@H]1[C@@H](C[NH3+])CCC(=O)N1C ZINC000399733297 398196643 /nfs/dbraw/zinc/19/66/43/398196643.db2.gz LCCSIYKJDATJHK-SCZZXKLOSA-N 2 2 222.292 0.288 10 0 BCAELP Cc1cc(N2CC[C@](C)(C[NH3+])C2)nc[nH+]1 ZINC000235855396 178119966 /nfs/dbraw/zinc/11/99/66/178119966.db2.gz ZCAYTYUHMHROPH-LLVKDONJSA-N 2 2 206.293 0.960 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccnn2)C1 ZINC000616622045 398207196 /nfs/dbraw/zinc/20/71/96/398207196.db2.gz ZMQWMSYKCOIZIL-JTQLQIEISA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccnn2)C1 ZINC000616622045 398207198 /nfs/dbraw/zinc/20/71/98/398207198.db2.gz ZMQWMSYKCOIZIL-JTQLQIEISA-N 2 2 206.293 0.615 10 0 BCAELP Cc1cc(NC[C@@H]2CN3CC[NH+]2CC3)cc[nH+]1 ZINC000302461235 178167658 /nfs/dbraw/zinc/16/76/58/178167658.db2.gz OYBNRRUBZVSUHJ-CYBMUJFWSA-N 2 2 232.331 0.802 10 0 BCAELP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC000108945588 178167811 /nfs/dbraw/zinc/16/78/11/178167811.db2.gz WPZNHWDYSXDFTL-LLVKDONJSA-N 2 2 236.319 0.836 10 0 BCAELP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC000108945588 178167814 /nfs/dbraw/zinc/16/78/14/178167814.db2.gz WPZNHWDYSXDFTL-LLVKDONJSA-N 2 2 236.319 0.836 10 0 BCAELP CC1(C)CC[NH+](CC[C@@H]([NH3+])C(N)=O)CC1 ZINC000062532985 539016913 /nfs/dbraw/zinc/01/69/13/539016913.db2.gz KCDPKFGSSGDSHK-SECBINFHSA-N 2 2 213.325 0.311 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000382041849 398300079 /nfs/dbraw/zinc/30/00/79/398300079.db2.gz ITCHAMWSEZMZDA-VXGBXAGGSA-N 2 2 228.336 0.476 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000382041849 398300082 /nfs/dbraw/zinc/30/00/82/398300082.db2.gz ITCHAMWSEZMZDA-VXGBXAGGSA-N 2 2 228.336 0.476 10 0 BCAELP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCOCO2)C1 ZINC000150174078 349652407 /nfs/dbraw/zinc/65/24/07/349652407.db2.gz LQFGWUIVOUFBJV-UWVGGRQHSA-N 2 2 200.282 0.043 10 0 BCAELP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCOCO2)C1 ZINC000150174078 349652410 /nfs/dbraw/zinc/65/24/10/349652410.db2.gz LQFGWUIVOUFBJV-UWVGGRQHSA-N 2 2 200.282 0.043 10 0 BCAELP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCOCO2)C1 ZINC000150173833 349652438 /nfs/dbraw/zinc/65/24/38/349652438.db2.gz LQFGWUIVOUFBJV-ZJUUUORDSA-N 2 2 200.282 0.043 10 0 BCAELP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCOCO2)C1 ZINC000150173833 349652441 /nfs/dbraw/zinc/65/24/41/349652441.db2.gz LQFGWUIVOUFBJV-ZJUUUORDSA-N 2 2 200.282 0.043 10 0 BCAELP Cn1c[nH+]cc1[C@@H]([NH3+])Cc1csnn1 ZINC000306665222 362021940 /nfs/dbraw/zinc/02/19/40/362021940.db2.gz SZIUMKJIXGOCMO-ZETCQYMHSA-N 2 2 209.278 0.514 10 0 BCAELP CC(C)c1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000122817988 343160778 /nfs/dbraw/zinc/16/07/78/343160778.db2.gz RVNSPWOGBBUPDE-NSHDSACASA-N 2 2 249.362 0.679 10 0 BCAELP CC(C)c1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000122817988 343160779 /nfs/dbraw/zinc/16/07/79/343160779.db2.gz RVNSPWOGBBUPDE-NSHDSACASA-N 2 2 249.362 0.679 10 0 BCAELP CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC[NH2+]C1 ZINC000393507151 259357496 /nfs/dbraw/zinc/35/74/96/259357496.db2.gz IDFBXVXVFQZEAF-VHSXEESVSA-N 2 2 200.326 0.735 10 0 BCAELP COc1cc(C[NH2+]CC[NH3+])cc(OC)c1OC ZINC000037712262 343352396 /nfs/dbraw/zinc/35/23/96/343352396.db2.gz YTPIXESNGMGPEO-UHFFFAOYSA-N 2 2 240.303 0.761 10 0 BCAELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179560219 346988830 /nfs/dbraw/zinc/98/88/30/346988830.db2.gz IREUJKZPULMREE-GFCCVEGCSA-N 2 2 238.335 0.298 10 0 BCAELP C[N@@H+]1CCN(c2nccc3occc32)[C@H](C[NH3+])C1 ZINC000300098766 344388742 /nfs/dbraw/zinc/38/87/42/344388742.db2.gz JVGIMDVMVZISRU-SNVBAGLBSA-N 2 2 246.314 0.907 10 0 BCAELP C[N@H+]1CCN(c2nccc3occc32)[C@H](C[NH3+])C1 ZINC000300098766 344388744 /nfs/dbraw/zinc/38/87/44/344388744.db2.gz JVGIMDVMVZISRU-SNVBAGLBSA-N 2 2 246.314 0.907 10 0 BCAELP C[C@@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCc1nc[nH]c12 ZINC000400390918 537855762 /nfs/dbraw/zinc/85/57/62/537855762.db2.gz PEEKBYBRFNLKLH-SKDRFNHKSA-N 2 2 220.320 0.865 10 0 BCAELP C[C@@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCc1nc[nH]c12 ZINC000400390918 537855767 /nfs/dbraw/zinc/85/57/67/537855767.db2.gz PEEKBYBRFNLKLH-SKDRFNHKSA-N 2 2 220.320 0.865 10 0 BCAELP C[N@H+](C1CCC1)[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000221406699 345096862 /nfs/dbraw/zinc/09/68/62/345096862.db2.gz WDAAGDDLRPINJM-KOLCDFICSA-N 2 2 211.309 0.206 10 0 BCAELP C[N@@H+](C1CCC1)[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000221406699 345096864 /nfs/dbraw/zinc/09/68/64/345096864.db2.gz WDAAGDDLRPINJM-KOLCDFICSA-N 2 2 211.309 0.206 10 0 BCAELP C[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000159590059 345442741 /nfs/dbraw/zinc/44/27/41/345442741.db2.gz LXXJPGTUDXRJSA-NSHDSACASA-N 2 2 222.292 0.558 10 0 BCAELP CC[N@H+](C)CCNc1nc(N(C)C)cc[nH+]1 ZINC000091461701 345589725 /nfs/dbraw/zinc/58/97/25/345589725.db2.gz HVCIRANPIRIQLB-UHFFFAOYSA-N 2 2 223.324 0.906 10 0 BCAELP CC[N@@H+](C)CCNc1nc(N(C)C)cc[nH+]1 ZINC000091461701 345589729 /nfs/dbraw/zinc/58/97/29/345589729.db2.gz HVCIRANPIRIQLB-UHFFFAOYSA-N 2 2 223.324 0.906 10 0 BCAELP COc1cc(N2CC[NH+](C)CC2)[nH+]cc1N ZINC000218651068 345853625 /nfs/dbraw/zinc/85/36/25/345853625.db2.gz JXVVDJZNRTUKHS-UHFFFAOYSA-N 2 2 222.292 0.424 10 0 BCAELP [NH3+][C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000034217049 346226591 /nfs/dbraw/zinc/22/65/91/346226591.db2.gz AAJPISLWSKALAE-LBPRGKRZSA-N 2 2 206.289 0.846 10 0 BCAELP [NH3+][C@@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000034217049 346226595 /nfs/dbraw/zinc/22/65/95/346226595.db2.gz AAJPISLWSKALAE-LBPRGKRZSA-N 2 2 206.289 0.846 10 0 BCAELP [NH3+]C[C@H]1C[NH2+]C[C@H](C[NH+]2CCCCC2)C1 ZINC000669378981 537975614 /nfs/dbraw/zinc/97/56/14/537975614.db2.gz RHBLLMKHJWMGHP-NWDGAFQWSA-N 3 2 211.353 0.657 10 0 BCAELP CC(C)[N@@H+]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245969 538004799 /nfs/dbraw/zinc/00/47/99/538004799.db2.gz OLVJWQYSFIUAGV-ZYHUDNBSSA-N 2 2 210.321 0.895 10 0 BCAELP CC(C)[N@H+]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245969 538004802 /nfs/dbraw/zinc/00/48/02/538004802.db2.gz OLVJWQYSFIUAGV-ZYHUDNBSSA-N 2 2 210.321 0.895 10 0 BCAELP C[C@@H]1C[NH2+]C[C@]12C[N@H+](CC1CC1)CCC2=O ZINC000725246177 538004957 /nfs/dbraw/zinc/00/49/57/538004957.db2.gz RECVREKVRVPUGT-MFKMUULPSA-N 2 2 222.332 0.897 10 0 BCAELP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](CC1CC1)CCC2=O ZINC000725246177 538004966 /nfs/dbraw/zinc/00/49/66/538004966.db2.gz RECVREKVRVPUGT-MFKMUULPSA-N 2 2 222.332 0.897 10 0 BCAELP C[C@H]1C[NH2+]C[C@@]12C[N@@H+](C1CC1)CCC2=O ZINC000725246614 538009558 /nfs/dbraw/zinc/00/95/58/538009558.db2.gz ZNZGFKHRWOZGIY-JOYOIKCWSA-N 2 2 208.305 0.649 10 0 BCAELP C[C@H]1C[NH2+]C[C@@]12C[N@H+](C1CC1)CCC2=O ZINC000725246614 538009561 /nfs/dbraw/zinc/00/95/61/538009561.db2.gz ZNZGFKHRWOZGIY-JOYOIKCWSA-N 2 2 208.305 0.649 10 0 BCAELP Cc1cc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc(N)[nH+]1 ZINC000669385069 538019354 /nfs/dbraw/zinc/01/93/54/538019354.db2.gz WHMRVVYPAUIWCY-ZJUUUORDSA-N 3 2 206.293 0.376 10 0 BCAELP C[NH2+]C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000616576410 349101451 /nfs/dbraw/zinc/10/14/51/349101451.db2.gz USCLRCWAEUSPOI-LLVKDONJSA-N 2 2 207.277 0.242 10 0 BCAELP Cc1cc(N2CCC[C@@](O)(C[NH3+])C2)nc[nH+]1 ZINC000616578104 349123812 /nfs/dbraw/zinc/12/38/12/349123812.db2.gz JRMAVACLVYTEEA-LLVKDONJSA-N 2 2 222.292 0.075 10 0 BCAELP C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000070646749 350039335 /nfs/dbraw/zinc/03/93/35/350039335.db2.gz FNRNKCAPFFKBOE-SNVBAGLBSA-N 2 2 208.265 0.168 10 0 BCAELP Cc1nccc(C[NH+]2CCC[NH2+]CCC2)n1 ZINC000045007825 180184072 /nfs/dbraw/zinc/18/40/72/180184072.db2.gz ANRDWDOHSBARIY-UHFFFAOYSA-N 2 2 220.320 0.970 10 0 BCAELP CCC[NH2+][C@H](C[NH3+])CNC(=O)OC(C)(C)C ZINC000226195928 350407225 /nfs/dbraw/zinc/40/72/25/350407225.db2.gz NZARTBLBBKIBDK-SECBINFHSA-N 2 2 231.340 0.838 10 0 BCAELP Cc1nn(C)c(N(C)Cc2[nH+]ccn2C)c1C[NH3+] ZINC000062255013 180353289 /nfs/dbraw/zinc/35/32/89/180353289.db2.gz VDGVOIIXYOJBHE-UHFFFAOYSA-N 2 2 248.334 0.557 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235677116 180338366 /nfs/dbraw/zinc/33/83/66/180338366.db2.gz ARLCNKLEZLEILW-UFBFGSQYSA-N 2 2 222.336 0.816 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235677116 180338368 /nfs/dbraw/zinc/33/83/68/180338368.db2.gz ARLCNKLEZLEILW-UFBFGSQYSA-N 2 2 222.336 0.816 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000020315812 180338385 /nfs/dbraw/zinc/33/83/85/180338385.db2.gz JFEICHMSVLKVHB-LLVKDONJSA-N 2 2 222.336 0.960 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000020315812 180338387 /nfs/dbraw/zinc/33/83/87/180338387.db2.gz JFEICHMSVLKVHB-LLVKDONJSA-N 2 2 222.336 0.960 10 0 BCAELP Nc1ccc([C@@H]2CC[N@H+](CC[NH3+])CCO2)cc1 ZINC000616594911 350596078 /nfs/dbraw/zinc/59/60/78/350596078.db2.gz RMGTXWAIAAFRHB-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccc([C@@H]2CC[N@@H+](CC[NH3+])CCO2)cc1 ZINC000616594911 350596080 /nfs/dbraw/zinc/59/60/80/350596080.db2.gz RMGTXWAIAAFRHB-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc[nH+]1 ZINC000216426048 350718506 /nfs/dbraw/zinc/71/85/06/350718506.db2.gz REIAZTVZHFPHCU-ZJUUUORDSA-N 2 2 204.277 0.583 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cn[nH]c2)CC1 ZINC000616602241 350790996 /nfs/dbraw/zinc/79/09/96/350790996.db2.gz VXJKFCMHMGMZLH-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cn[nH]c2)CC1 ZINC000616602241 350790998 /nfs/dbraw/zinc/79/09/98/350790998.db2.gz VXJKFCMHMGMZLH-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cnno2)C1 ZINC000616604483 350793565 /nfs/dbraw/zinc/79/35/65/350793565.db2.gz PVQJBGDBYZYFBU-VIFPVBQESA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cnno2)C1 ZINC000616604483 350793568 /nfs/dbraw/zinc/79/35/68/350793568.db2.gz PVQJBGDBYZYFBU-VIFPVBQESA-N 2 2 210.281 0.598 10 0 BCAELP NC(=O)c1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000616607283 350800321 /nfs/dbraw/zinc/80/03/21/350800321.db2.gz HTROGXNGQIXUNM-GFCCVEGCSA-N 2 2 233.315 0.881 10 0 BCAELP NC(=O)c1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000616607283 350800323 /nfs/dbraw/zinc/80/03/23/350800323.db2.gz HTROGXNGQIXUNM-GFCCVEGCSA-N 2 2 233.315 0.881 10 0 BCAELP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCSC2)CCO1 ZINC000252698507 350914633 /nfs/dbraw/zinc/91/46/33/350914633.db2.gz NLSAGQUQOXIPOZ-IUCAKERBSA-N 2 2 202.323 0.151 10 0 BCAELP [NH3+]C[C@H]1C[N@H+]([C@H]2CCSC2)CCO1 ZINC000252698507 350914637 /nfs/dbraw/zinc/91/46/37/350914637.db2.gz NLSAGQUQOXIPOZ-IUCAKERBSA-N 2 2 202.323 0.151 10 0 BCAELP Nc1[nH+]cccc1C1CC[NH+](CCO)CC1 ZINC000616620046 350931517 /nfs/dbraw/zinc/93/15/17/350931517.db2.gz UQCSMPNCLMRZML-UHFFFAOYSA-N 2 2 221.304 0.836 10 0 BCAELP C[C@@H]1C[C@H](C)C[N@@H+](CC[C@@H]([NH3+])C(N)=O)C1 ZINC000218546658 538099810 /nfs/dbraw/zinc/09/98/10/538099810.db2.gz NBPFSJLQCZKQHD-KXUCPTDWSA-N 2 2 213.325 0.167 10 0 BCAELP C[C@@H]1C[C@H](C)C[N@H+](CC[C@@H]([NH3+])C(N)=O)C1 ZINC000218546658 538099813 /nfs/dbraw/zinc/09/98/13/538099813.db2.gz NBPFSJLQCZKQHD-KXUCPTDWSA-N 2 2 213.325 0.167 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2conn2)C1 ZINC000616629868 351101481 /nfs/dbraw/zinc/10/14/81/351101481.db2.gz QYIJDGNFWMSRKV-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2conn2)C1 ZINC000616629868 351101482 /nfs/dbraw/zinc/10/14/82/351101482.db2.gz QYIJDGNFWMSRKV-SECBINFHSA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616629911 351101739 /nfs/dbraw/zinc/10/17/39/351101739.db2.gz VXJKFCMHMGMZLH-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2cn[nH]c2)CC1 ZINC000616629911 351101743 /nfs/dbraw/zinc/10/17/43/351101743.db2.gz VXJKFCMHMGMZLH-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2nnc[nH]2)C1 ZINC000616629861 351101942 /nfs/dbraw/zinc/10/19/42/351101942.db2.gz QYAQXPYKTCTVER-SECBINFHSA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2nnc[nH]2)C1 ZINC000616629861 351101944 /nfs/dbraw/zinc/10/19/44/351101944.db2.gz QYAQXPYKTCTVER-SECBINFHSA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616627009 351107231 /nfs/dbraw/zinc/10/72/31/351107231.db2.gz FRWAJVDQHUMRBK-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cn[nH]n2)C1 ZINC000616627009 351107233 /nfs/dbraw/zinc/10/72/33/351107233.db2.gz FRWAJVDQHUMRBK-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cc[nH]n2)CC1 ZINC000616627159 351107705 /nfs/dbraw/zinc/10/77/05/351107705.db2.gz FDDVNVVMJDSFAI-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2cc[nH]n2)CC1 ZINC000616627159 351107707 /nfs/dbraw/zinc/10/77/07/351107707.db2.gz FDDVNVVMJDSFAI-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccnn2)C1 ZINC000616621819 351084981 /nfs/dbraw/zinc/08/49/81/351084981.db2.gz ZMQWMSYKCOIZIL-SNVBAGLBSA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccnn2)C1 ZINC000616621819 351084984 /nfs/dbraw/zinc/08/49/84/351084984.db2.gz ZMQWMSYKCOIZIL-SNVBAGLBSA-N 2 2 206.293 0.615 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2conn2)C1 ZINC000616628778 351099245 /nfs/dbraw/zinc/09/92/45/351099245.db2.gz QYIJDGNFWMSRKV-VIFPVBQESA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](c2conn2)C1 ZINC000616628778 351099246 /nfs/dbraw/zinc/09/92/46/351099246.db2.gz QYIJDGNFWMSRKV-VIFPVBQESA-N 2 2 210.281 0.598 10 0 BCAELP [NH3+]CCN1CCOCC[C@H]1c1c[nH+]c[nH]1 ZINC000616657212 351198207 /nfs/dbraw/zinc/19/82/07/351198207.db2.gz RQULIDYHGUHFJA-JTQLQIEISA-N 2 2 210.281 0.132 10 0 BCAELP [NH3+]CCN1CCOCC[C@H]1c1c[nH]c[nH+]1 ZINC000616657212 351198209 /nfs/dbraw/zinc/19/82/09/351198209.db2.gz RQULIDYHGUHFJA-JTQLQIEISA-N 2 2 210.281 0.132 10 0 BCAELP CCC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000307100147 351479350 /nfs/dbraw/zinc/47/93/50/351479350.db2.gz XMSNYSRXQNVQKX-GFCCVEGCSA-N 2 2 210.321 0.993 10 0 BCAELP CCC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000307100147 351479354 /nfs/dbraw/zinc/47/93/54/351479354.db2.gz XMSNYSRXQNVQKX-GFCCVEGCSA-N 2 2 210.321 0.993 10 0 BCAELP CCC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000307100147 351479359 /nfs/dbraw/zinc/47/93/59/351479359.db2.gz XMSNYSRXQNVQKX-GFCCVEGCSA-N 2 2 210.321 0.993 10 0 BCAELP CCC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000307100147 351479363 /nfs/dbraw/zinc/47/93/63/351479363.db2.gz XMSNYSRXQNVQKX-GFCCVEGCSA-N 2 2 210.321 0.993 10 0 BCAELP C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000088098992 351597245 /nfs/dbraw/zinc/59/72/45/351597245.db2.gz KXIDQCNCIOZBLI-UTUOFQBUSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000088098992 351597248 /nfs/dbraw/zinc/59/72/48/351597248.db2.gz KXIDQCNCIOZBLI-UTUOFQBUSA-N 2 2 228.336 0.068 10 0 BCAELP O[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1 ZINC000536954200 323962282 /nfs/dbraw/zinc/96/22/82/323962282.db2.gz JXPVIKVXPQNYKM-RYUDHWBXSA-N 2 2 206.289 0.499 10 0 BCAELP [NH3+]Cc1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000022164755 188109519 /nfs/dbraw/zinc/10/95/19/188109519.db2.gz UNJFGDOXGZBMKS-UHFFFAOYSA-N 2 2 230.271 0.981 10 0 BCAELP CC(=O)N1CC[NH+]([C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000086409799 188143033 /nfs/dbraw/zinc/14/30/33/188143033.db2.gz QZBDIOHJJKOYKZ-WDEREUQCSA-N 2 2 211.309 0.030 10 0 BCAELP C(C[NH+]1CCOCC1)O[C@H]1CCC[NH2+]C1 ZINC000019965448 188174121 /nfs/dbraw/zinc/17/41/21/188174121.db2.gz VIWXKSPRMRLKPH-NSHDSACASA-N 2 2 214.309 0.087 10 0 BCAELP C([NH2+][C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC000019947797 188174343 /nfs/dbraw/zinc/17/43/43/188174343.db2.gz XMLFTPPPTVEFIL-CMPLNLGQSA-N 2 2 210.321 0.707 10 0 BCAELP C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251742344 353288010 /nfs/dbraw/zinc/28/80/10/353288010.db2.gz KXIDQCNCIOZBLI-WOPDTQHZSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251742344 353288014 /nfs/dbraw/zinc/28/80/14/353288014.db2.gz KXIDQCNCIOZBLI-WOPDTQHZSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000165438856 353349742 /nfs/dbraw/zinc/34/97/42/353349742.db2.gz VCHNIWCPDQQDQZ-RKDXNWHRSA-N 2 2 222.292 0.209 10 0 BCAELP C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)[C@H](C)[NH3+] ZINC000165439025 353349942 /nfs/dbraw/zinc/34/99/42/353349942.db2.gz VCHNIWCPDQQDQZ-BDAKNGLRSA-N 2 2 222.292 0.209 10 0 BCAELP C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000231670891 353642246 /nfs/dbraw/zinc/64/22/46/353642246.db2.gz JFYSXGRVSJASIM-LLVKDONJSA-N 2 2 241.379 0.975 10 0 BCAELP C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000231670891 353642250 /nfs/dbraw/zinc/64/22/50/353642250.db2.gz JFYSXGRVSJASIM-LLVKDONJSA-N 2 2 241.379 0.975 10 0 BCAELP COC(=O)C[N@H+](C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000220364650 353837005 /nfs/dbraw/zinc/83/70/05/353837005.db2.gz AWZUUVFIFFZLAI-LLVKDONJSA-N 2 2 228.336 0.869 10 0 BCAELP COC(=O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000220364650 353837008 /nfs/dbraw/zinc/83/70/08/353837008.db2.gz AWZUUVFIFFZLAI-LLVKDONJSA-N 2 2 228.336 0.869 10 0 BCAELP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334683753 354429388 /nfs/dbraw/zinc/42/93/88/354429388.db2.gz ISTMSOKSCJISBF-GHMZBOCLSA-N 2 2 248.330 0.613 10 0 BCAELP NC(=[NH2+])c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000019840795 181195037 /nfs/dbraw/zinc/19/50/37/181195037.db2.gz RLKQSEOMHSKWSF-UHFFFAOYSA-N 2 2 249.314 0.682 10 0 BCAELP OCC[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000399164154 355778405 /nfs/dbraw/zinc/77/84/05/355778405.db2.gz DODWSNDWCOSVMY-UHFFFAOYSA-N 2 2 235.331 0.628 10 0 BCAELP NC(=O)C1CCC([NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000054764940 181216346 /nfs/dbraw/zinc/21/63/46/181216346.db2.gz BECYZXRJJDZAQZ-UHFFFAOYSA-N 2 2 222.292 0.543 10 0 BCAELP NC(=O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019256411 181234855 /nfs/dbraw/zinc/23/48/55/181234855.db2.gz SNSKPMHKAIYNEV-UHFFFAOYSA-N 2 2 247.342 0.726 10 0 BCAELP CC(C)[NH+](C(C)C)[C@@H]1C[NH2+]CC[C@@H]1O ZINC000675060829 538486623 /nfs/dbraw/zinc/48/66/23/538486623.db2.gz QELPDULJNUJFSN-MNOVXSKESA-N 2 2 200.326 0.828 10 0 BCAELP Cc1nc(CC2=C[C@@H]([NH3+])C[NH2+]C2)cs1 ZINC000675076312 538511568 /nfs/dbraw/zinc/51/15/68/538511568.db2.gz AXOJHYHLKPZYAX-SECBINFHSA-N 2 2 209.318 0.851 10 0 BCAELP Cc1csc(CC2=C[C@H]([NH3+])C[NH2+]C2)n1 ZINC000675076387 538511046 /nfs/dbraw/zinc/51/10/46/538511046.db2.gz CGMCIELSRWYHST-VIFPVBQESA-N 2 2 209.318 0.851 10 0 BCAELP COc1nscc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077456 538513543 /nfs/dbraw/zinc/51/35/43/538513543.db2.gz FGWAOUYFPIMQSR-SECBINFHSA-N 2 2 225.317 0.551 10 0 BCAELP COc1cncc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675078440 538514629 /nfs/dbraw/zinc/51/46/29/538514629.db2.gz PQMJMTSUUBTQDR-JTQLQIEISA-N 2 2 205.261 0.404 10 0 BCAELP Nc1[nH+]cccc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077887 538514687 /nfs/dbraw/zinc/51/46/87/538514687.db2.gz JSNBBXSSTUAYTP-JTQLQIEISA-N 3 2 204.277 0.063 10 0 BCAELP Nc1ncccc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077887 538514691 /nfs/dbraw/zinc/51/46/91/538514691.db2.gz JSNBBXSSTUAYTP-JTQLQIEISA-N 2 2 204.277 0.063 10 0 BCAELP COc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)sn1 ZINC000675077293 538512341 /nfs/dbraw/zinc/51/23/41/538512341.db2.gz BUHSZWHMVNGDOY-ZETCQYMHSA-N 2 2 211.290 0.466 10 0 BCAELP NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393928342 357307071 /nfs/dbraw/zinc/30/70/71/357307071.db2.gz PWXABNNNEPEERX-NEPJUHHUSA-N 2 2 233.315 0.146 10 0 BCAELP NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393928342 357307077 /nfs/dbraw/zinc/30/70/77/357307077.db2.gz PWXABNNNEPEERX-NEPJUHHUSA-N 2 2 233.315 0.146 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000393239598 357279534 /nfs/dbraw/zinc/27/95/34/357279534.db2.gz NEQQQFXGFJDVEB-GHMZBOCLSA-N 2 2 200.326 0.953 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000393239598 357279535 /nfs/dbraw/zinc/27/95/35/357279535.db2.gz NEQQQFXGFJDVEB-GHMZBOCLSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000086068935 357815952 /nfs/dbraw/zinc/81/59/52/357815952.db2.gz VUUXOZMPOLSKIL-VIFPVBQESA-N 2 2 222.292 0.081 10 0 BCAELP CC(C)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168808986 134247167 /nfs/dbraw/zinc/24/71/67/134247167.db2.gz RSPWMRLVUNSRJP-NSHDSACASA-N 2 2 227.352 0.585 10 0 BCAELP CC(C)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168808986 134247168 /nfs/dbraw/zinc/24/71/68/134247168.db2.gz RSPWMRLVUNSRJP-NSHDSACASA-N 2 2 227.352 0.585 10 0 BCAELP C[N@H+](CC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000168804105 134246887 /nfs/dbraw/zinc/24/68/87/134246887.db2.gz QQEFOWVVADTKJJ-NSHDSACASA-N 2 2 225.336 0.339 10 0 BCAELP C[N@@H+](CC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000168804105 134246888 /nfs/dbraw/zinc/24/68/88/134246888.db2.gz QQEFOWVVADTKJJ-NSHDSACASA-N 2 2 225.336 0.339 10 0 BCAELP C[N@H+](CC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000168804006 134246936 /nfs/dbraw/zinc/24/69/36/134246936.db2.gz QQEFOWVVADTKJJ-LLVKDONJSA-N 2 2 225.336 0.339 10 0 BCAELP C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000168804006 134246937 /nfs/dbraw/zinc/24/69/37/134246937.db2.gz QQEFOWVVADTKJJ-LLVKDONJSA-N 2 2 225.336 0.339 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)OC ZINC000169281955 134250318 /nfs/dbraw/zinc/25/03/18/134250318.db2.gz VYWUSWLIXUAKJW-SECBINFHSA-N 2 2 200.282 0.233 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)OC ZINC000169281955 134250319 /nfs/dbraw/zinc/25/03/19/134250319.db2.gz VYWUSWLIXUAKJW-SECBINFHSA-N 2 2 200.282 0.233 10 0 BCAELP [NH3+]CCC[N@H+](CCO)Cc1ccccn1 ZINC000584621874 358289231 /nfs/dbraw/zinc/28/92/31/358289231.db2.gz RJBJXUNBXBNDBV-UHFFFAOYSA-N 2 2 209.293 0.225 10 0 BCAELP [NH3+]CCC[N@@H+](CCO)Cc1ccccn1 ZINC000584621874 358289234 /nfs/dbraw/zinc/28/92/34/358289234.db2.gz RJBJXUNBXBNDBV-UHFFFAOYSA-N 2 2 209.293 0.225 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226057811 358333114 /nfs/dbraw/zinc/33/31/14/358333114.db2.gz YXIVDUGQFGJFQH-QJPTWQEYSA-N 2 2 212.337 0.974 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000226057811 358333116 /nfs/dbraw/zinc/33/31/16/358333116.db2.gz YXIVDUGQFGJFQH-QJPTWQEYSA-N 2 2 212.337 0.974 10 0 BCAELP Cc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000229576682 358404366 /nfs/dbraw/zinc/40/43/66/358404366.db2.gz IECBLYJBQCJBAA-LBPRGKRZSA-N 3 2 220.320 0.469 10 0 BCAELP Cc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000229576682 358404368 /nfs/dbraw/zinc/40/43/68/358404368.db2.gz IECBLYJBQCJBAA-LBPRGKRZSA-N 3 2 220.320 0.469 10 0 BCAELP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCSC2)CCO1 ZINC000228173611 359323462 /nfs/dbraw/zinc/32/34/62/359323462.db2.gz NLSAGQUQOXIPOZ-BDAKNGLRSA-N 2 2 202.323 0.151 10 0 BCAELP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCSC2)CCO1 ZINC000228173611 359323465 /nfs/dbraw/zinc/32/34/65/359323465.db2.gz NLSAGQUQOXIPOZ-BDAKNGLRSA-N 2 2 202.323 0.151 10 0 BCAELP C[C@H](C[N@@H+]1CCC[S@](=O)CC1)[C@H](C)[NH3+] ZINC000306491598 360208847 /nfs/dbraw/zinc/20/88/47/360208847.db2.gz WFEZHAREGFXQHI-BFVZDQMLSA-N 2 2 218.366 0.424 10 0 BCAELP C[C@H](C[N@H+]1CCC[S@](=O)CC1)[C@H](C)[NH3+] ZINC000306491598 360208851 /nfs/dbraw/zinc/20/88/51/360208851.db2.gz WFEZHAREGFXQHI-BFVZDQMLSA-N 2 2 218.366 0.424 10 0 BCAELP C[N@H+](CC[C@](C)([NH3+])C(N)=O)Cc1ccccc1 ZINC000306523759 360360197 /nfs/dbraw/zinc/36/01/97/360360197.db2.gz UXQDETIODPNHKD-ZDUSSCGKSA-N 2 2 235.331 0.711 10 0 BCAELP C[N@@H+](CC[C@](C)([NH3+])C(N)=O)Cc1ccccc1 ZINC000306523759 360360216 /nfs/dbraw/zinc/36/02/16/360360216.db2.gz UXQDETIODPNHKD-ZDUSSCGKSA-N 2 2 235.331 0.711 10 0 BCAELP CC(C)[C@H](C)[C@@H]([NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000306553266 360426467 /nfs/dbraw/zinc/42/64/67/360426467.db2.gz BCIXYEYKUCUOPP-HBNTYKKESA-N 2 2 200.326 0.936 10 0 BCAELP CC(C)[C@H](C)[C@@H]([NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000306553266 360426470 /nfs/dbraw/zinc/42/64/70/360426470.db2.gz BCIXYEYKUCUOPP-HBNTYKKESA-N 2 2 200.326 0.936 10 0 BCAELP OCC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000162894952 361369859 /nfs/dbraw/zinc/36/98/59/361369859.db2.gz RVIDUNGJWCFVOD-LLVKDONJSA-N 2 2 209.293 0.587 10 0 BCAELP OCC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162894952 361369862 /nfs/dbraw/zinc/36/98/62/361369862.db2.gz RVIDUNGJWCFVOD-LLVKDONJSA-N 2 2 209.293 0.587 10 0 BCAELP C[NH2+]CCOCCN(C)c1cc[nH+]c(C)n1 ZINC000630529173 364216185 /nfs/dbraw/zinc/21/61/85/364216185.db2.gz TXDIWUNLCJBJGR-UHFFFAOYSA-N 2 2 224.308 0.457 10 0 BCAELP [NH3+]CC1([NH+]2CCSCC2)CCOCC1 ZINC000036304865 181360927 /nfs/dbraw/zinc/36/09/27/181360927.db2.gz ATOGFFAATCRXCK-UHFFFAOYSA-N 2 2 216.350 0.543 10 0 BCAELP C[C@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1C[NH3+] ZINC000630576267 364275121 /nfs/dbraw/zinc/27/51/21/364275121.db2.gz XWTNLJBYVKZSAK-IUCAKERBSA-N 2 2 246.318 0.394 10 0 BCAELP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1C[NH3+] ZINC000630576261 364275266 /nfs/dbraw/zinc/27/52/66/364275266.db2.gz XWTNLJBYVKZSAK-BDAKNGLRSA-N 2 2 246.318 0.394 10 0 BCAELP Cc1cc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000630575020 364273836 /nfs/dbraw/zinc/27/38/36/364273836.db2.gz WSIDHDODASSITC-SCZZXKLOSA-N 2 2 206.293 0.816 10 0 BCAELP [NH3+]CCCc1[nH+]c2ccccc2n1CCO ZINC000019734058 181387690 /nfs/dbraw/zinc/38/76/90/181387690.db2.gz CHYMKNSBROCSEM-UHFFFAOYSA-N 2 2 219.288 0.920 10 0 BCAELP [NH3+]CC[N@H+](C1CCCC1)[C@H]1CCCCNC1=O ZINC000070975468 181390302 /nfs/dbraw/zinc/39/03/02/181390302.db2.gz ALOGIILICPQKKU-LBPRGKRZSA-N 2 2 239.363 0.858 10 0 BCAELP [NH3+]CC[N@@H+](C1CCCC1)[C@H]1CCCCNC1=O ZINC000070975468 181390304 /nfs/dbraw/zinc/39/03/04/181390304.db2.gz ALOGIILICPQKKU-LBPRGKRZSA-N 2 2 239.363 0.858 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000379848007 365315744 /nfs/dbraw/zinc/31/57/44/365315744.db2.gz DESKLBZSPIDOGD-AXFHLTTASA-N 2 2 235.335 0.467 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000379848007 365315750 /nfs/dbraw/zinc/31/57/50/365315750.db2.gz DESKLBZSPIDOGD-AXFHLTTASA-N 2 2 235.335 0.467 10 0 BCAELP O[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1 ZINC000675060628 541464279 /nfs/dbraw/zinc/46/42/79/541464279.db2.gz JXPVIKVXPQNYKM-NWDGAFQWSA-N 2 2 206.289 0.499 10 0 BCAELP CCCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381412922 367398347 /nfs/dbraw/zinc/39/83/47/367398347.db2.gz ZAWHXYUSRWNEIE-SRVKXCTJSA-N 2 2 249.362 0.857 10 0 BCAELP CCCn1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381412922 367398350 /nfs/dbraw/zinc/39/83/50/367398350.db2.gz ZAWHXYUSRWNEIE-SRVKXCTJSA-N 2 2 249.362 0.857 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000384882150 367750992 /nfs/dbraw/zinc/75/09/92/367750992.db2.gz ISOWRDBCPQYHAY-WXHSDQCUSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000384882150 367751001 /nfs/dbraw/zinc/75/10/01/367751001.db2.gz ISOWRDBCPQYHAY-WXHSDQCUSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384882150 367751005 /nfs/dbraw/zinc/75/10/05/367751005.db2.gz ISOWRDBCPQYHAY-WXHSDQCUSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384882150 367751012 /nfs/dbraw/zinc/75/10/12/367751012.db2.gz ISOWRDBCPQYHAY-WXHSDQCUSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000631836997 369091550 /nfs/dbraw/zinc/09/15/50/369091550.db2.gz LINQNLLGQDHIJF-NWDGAFQWSA-N 3 2 236.363 0.879 10 0 BCAELP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000631836997 369091553 /nfs/dbraw/zinc/09/15/53/369091553.db2.gz LINQNLLGQDHIJF-NWDGAFQWSA-N 3 2 236.363 0.879 10 0 BCAELP NC(=O)C1CC[NH+]([C@H](C[NH3+])c2ccccc2)CC1 ZINC000042899148 181454621 /nfs/dbraw/zinc/45/46/21/181454621.db2.gz BTYYAIBWXSITLP-CYBMUJFWSA-N 2 2 247.342 0.884 10 0 BCAELP Nc1ccccc1[C@@H]1C[N@H+](CC[NH3+])CCCO1 ZINC000616680137 369110945 /nfs/dbraw/zinc/11/09/45/369110945.db2.gz NRXHNLAOXSVLTP-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@@H]1C[N@@H+](CC[NH3+])CCCO1 ZINC000616680137 369110950 /nfs/dbraw/zinc/11/09/50/369110950.db2.gz NRXHNLAOXSVLTP-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP CC(C)[N@H+](C)[C@@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225505579 370957853 /nfs/dbraw/zinc/95/78/53/370957853.db2.gz LXFHXDAPJNBMGD-KOLCDFICSA-N 2 2 213.325 0.452 10 0 BCAELP CC(C)[N@@H+](C)[C@@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225505579 370957859 /nfs/dbraw/zinc/95/78/59/370957859.db2.gz LXFHXDAPJNBMGD-KOLCDFICSA-N 2 2 213.325 0.452 10 0 BCAELP CC[C@@H](C[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000133719648 372094975 /nfs/dbraw/zinc/09/49/75/372094975.db2.gz KTEOWLOKSRKDIB-JTQLQIEISA-N 2 2 214.309 0.563 10 0 BCAELP CC[C@@H](C[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000133719648 372094977 /nfs/dbraw/zinc/09/49/77/372094977.db2.gz KTEOWLOKSRKDIB-JTQLQIEISA-N 2 2 214.309 0.563 10 0 BCAELP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CSCCS2)C1 ZINC000229613800 372173187 /nfs/dbraw/zinc/17/31/87/372173187.db2.gz ZSWFRZWHBHBUFC-RKDXNWHRSA-N 2 2 218.391 0.868 10 0 BCAELP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CSCCS2)C1 ZINC000229613800 372173188 /nfs/dbraw/zinc/17/31/88/372173188.db2.gz ZSWFRZWHBHBUFC-RKDXNWHRSA-N 2 2 218.391 0.868 10 0 BCAELP COc1ccc([C@H](O)C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000070458360 374143476 /nfs/dbraw/zinc/14/34/76/374143476.db2.gz ACYWPAFIBGIGSI-WCQYABFASA-N 2 2 236.315 0.762 10 0 BCAELP COc1ccc([C@H](O)C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000070458360 374143484 /nfs/dbraw/zinc/14/34/84/374143484.db2.gz ACYWPAFIBGIGSI-WCQYABFASA-N 2 2 236.315 0.762 10 0 BCAELP C[N@H+](C[C@H]1CCOCO1)[C@@H]1CC[NH2+]C1 ZINC000070894452 374226175 /nfs/dbraw/zinc/22/61/75/374226175.db2.gz HCGZZLSKQNOLQZ-NXEZZACHSA-N 2 2 200.282 0.043 10 0 BCAELP C[N@@H+](C[C@H]1CCOCO1)[C@@H]1CC[NH2+]C1 ZINC000070894452 374226180 /nfs/dbraw/zinc/22/61/80/374226180.db2.gz HCGZZLSKQNOLQZ-NXEZZACHSA-N 2 2 200.282 0.043 10 0 BCAELP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000070646643 182274030 /nfs/dbraw/zinc/27/40/30/182274030.db2.gz ZINBMZGUHZEIIX-QMMMGPOBSA-N 2 2 208.265 0.026 10 0 BCAELP O[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541375 183231103 /nfs/dbraw/zinc/23/11/03/183231103.db2.gz LKAAGLVUEUOHIM-QWRGUYRKSA-N 2 2 209.293 0.776 10 0 BCAELP CCC[N@H+](CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000037981884 169155774 /nfs/dbraw/zinc/15/57/74/169155774.db2.gz DYIFYOJPEZVUDG-SNVBAGLBSA-N 2 2 234.365 0.234 10 0 BCAELP CCC[N@@H+](CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000037981884 169155776 /nfs/dbraw/zinc/15/57/76/169155776.db2.gz DYIFYOJPEZVUDG-SNVBAGLBSA-N 2 2 234.365 0.234 10 0 BCAELP c1cc(C[N@@H+]2CCC3(C[NH2+]C3)C2)ccn1 ZINC000096202780 183339356 /nfs/dbraw/zinc/33/93/56/183339356.db2.gz LJEACWFOGNVHKH-UHFFFAOYSA-N 2 2 203.289 0.877 10 0 BCAELP c1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)ccn1 ZINC000096202780 183339359 /nfs/dbraw/zinc/33/93/59/183339359.db2.gz LJEACWFOGNVHKH-UHFFFAOYSA-N 2 2 203.289 0.877 10 0 BCAELP CCC[NH2+]CC[NH2+]CCCN1CCOCC1 ZINC000049474794 169259011 /nfs/dbraw/zinc/25/90/11/169259011.db2.gz APWNJSGFISVSDB-UHFFFAOYSA-N 2 2 229.368 0.298 10 0 BCAELP CCC[C@@H](C)C(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000104355130 169349875 /nfs/dbraw/zinc/34/98/75/169349875.db2.gz CVGWRQPVRFPRLZ-LLVKDONJSA-N 2 2 241.379 0.962 10 0 BCAELP CCC[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254822 169387688 /nfs/dbraw/zinc/38/76/88/169387688.db2.gz XTFSJFMMROGVJL-SECBINFHSA-N 2 2 222.292 0.353 10 0 BCAELP CCC[C@@H]([NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062250660 169392547 /nfs/dbraw/zinc/39/25/47/169392547.db2.gz ZPTUYNGLZKZLMZ-SNVBAGLBSA-N 2 2 208.309 0.826 10 0 BCAELP CCC[C@@H]([NH3+])C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062979701 169392960 /nfs/dbraw/zinc/39/29/60/169392960.db2.gz BTPUUUDYCOLRST-OLZOCXBDSA-N 2 2 241.379 0.520 10 0 BCAELP CCC[C@@H]([NH3+])C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062979701 169392963 /nfs/dbraw/zinc/39/29/63/169392963.db2.gz BTPUUUDYCOLRST-OLZOCXBDSA-N 2 2 241.379 0.520 10 0 BCAELP N[C@@]1(C[NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000035676927 384088816 /nfs/dbraw/zinc/08/88/16/384088816.db2.gz XEVKWMMONSJVOW-CYBMUJFWSA-N 2 2 219.332 0.939 10 0 BCAELP N[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000035676927 384088821 /nfs/dbraw/zinc/08/88/21/384088821.db2.gz XEVKWMMONSJVOW-CYBMUJFWSA-N 2 2 219.332 0.939 10 0 BCAELP [NH3+]C[C@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000035676927 384088825 /nfs/dbraw/zinc/08/88/25/384088825.db2.gz XEVKWMMONSJVOW-CYBMUJFWSA-N 2 2 219.332 0.939 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N1CC[C@@](C)(C[NH3+])C1 ZINC000236110694 384184143 /nfs/dbraw/zinc/18/41/43/384184143.db2.gz PKCIAXKQNXVQPM-LBPRGKRZSA-N 2 2 246.318 0.538 10 0 BCAELP Clc1nccnc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000095070376 384336739 /nfs/dbraw/zinc/33/67/39/384336739.db2.gz DSRFVALTCSWCRS-QMMMGPOBSA-N 2 2 226.711 0.829 10 0 BCAELP O=C(C[NH2+]C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072802 384345960 /nfs/dbraw/zinc/34/59/60/384345960.db2.gz IBKDCKKUFYEJDY-VIFPVBQESA-N 2 2 239.344 0.915 10 0 BCAELP O=C(C[NH2+]C1CC[NH2+]CC1)c1ccccn1 ZINC000095072764 384346092 /nfs/dbraw/zinc/34/60/92/384346092.db2.gz KSQYFKYXTAFQPU-UHFFFAOYSA-N 2 2 219.288 0.606 10 0 BCAELP COC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000159686719 384348120 /nfs/dbraw/zinc/34/81/20/384348120.db2.gz UWNWMOGAUKBHLD-SECBINFHSA-N 2 2 248.286 0.784 10 0 BCAELP c1cnc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000095092653 384362790 /nfs/dbraw/zinc/36/27/90/384362790.db2.gz IGKBBMVBHLWLHT-SNVBAGLBSA-N 2 2 206.293 0.566 10 0 BCAELP Clc1nccc(C[NH2+]C[C@@H]2CC[NH2+]C2)n1 ZINC000095070140 384334695 /nfs/dbraw/zinc/33/46/95/384334695.db2.gz IUWGCSXKNKBVDK-MRVPVSSYSA-N 2 2 226.711 0.829 10 0 BCAELP CC(C)([NH3+])C[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000095930123 384410685 /nfs/dbraw/zinc/41/06/85/384410685.db2.gz SMFDAUDBYARXCJ-SSDOTTSWSA-N 2 2 202.298 0.783 10 0 BCAELP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309815712 384644290 /nfs/dbraw/zinc/64/42/90/384644290.db2.gz VHZRGFHGRQCCAU-SECBINFHSA-N 2 2 222.292 0.557 10 0 BCAELP [NH3+][C@@H]1CCC[C@H]1C[NH+]1CCS(=O)CC1 ZINC000053873284 384809142 /nfs/dbraw/zinc/80/91/42/384809142.db2.gz ZEWRSJARBXRPHU-VHSXEESVSA-N 2 2 216.350 0.178 10 0 BCAELP CN(CC[NH3+])c1cc(N2CCCC2)[nH+]cn1 ZINC000259059752 384951512 /nfs/dbraw/zinc/95/15/12/384951512.db2.gz WLCROKJNLSTFBD-UHFFFAOYSA-N 2 2 221.308 0.472 10 0 BCAELP CN(CC[NH3+])c1cc(NC2CC2)[nH+]cn1 ZINC000259069851 384952485 /nfs/dbraw/zinc/95/24/85/384952485.db2.gz XEEZRVDCRGLXHR-UHFFFAOYSA-N 2 2 207.281 0.446 10 0 BCAELP Cc1nc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc[nH+]1 ZINC000404081457 384896452 /nfs/dbraw/zinc/89/64/52/384896452.db2.gz SMWAOQFOEMREFA-QWRGUYRKSA-N 2 2 234.303 0.352 10 0 BCAELP Cc1cc(N2CC[C@H]3OCC[NH2+][C@H]3C2)nc(C)[nH+]1 ZINC000404092943 384897820 /nfs/dbraw/zinc/89/78/20/384897820.db2.gz UYHOLRARTAZFQC-NWDGAFQWSA-N 2 2 248.330 0.661 10 0 BCAELP CC(=O)N1CC[NH+]([C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000086409802 385014968 /nfs/dbraw/zinc/01/49/68/385014968.db2.gz QZBDIOHJJKOYKZ-QWRGUYRKSA-N 2 2 211.309 0.030 10 0 BCAELP C[NH2+][C@H]1CCC[N@H+](CCC(=O)OC)C1 ZINC000053204436 385073986 /nfs/dbraw/zinc/07/39/86/385073986.db2.gz UPMZKDOEBIMQMD-VIFPVBQESA-N 2 2 200.282 0.233 10 0 BCAELP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)OC)C1 ZINC000053204436 385073993 /nfs/dbraw/zinc/07/39/93/385073993.db2.gz UPMZKDOEBIMQMD-VIFPVBQESA-N 2 2 200.282 0.233 10 0 BCAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000259351011 385304743 /nfs/dbraw/zinc/30/47/43/385304743.db2.gz SZXCNYQQYPARBF-GFCCVEGCSA-N 2 2 205.305 0.419 10 0 BCAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000259351011 385304751 /nfs/dbraw/zinc/30/47/51/385304751.db2.gz SZXCNYQQYPARBF-GFCCVEGCSA-N 2 2 205.305 0.419 10 0 BCAELP [NH3+]C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000259351011 385304754 /nfs/dbraw/zinc/30/47/54/385304754.db2.gz SZXCNYQQYPARBF-GFCCVEGCSA-N 2 2 205.305 0.419 10 0 BCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309095064 385405564 /nfs/dbraw/zinc/40/55/64/385405564.db2.gz CLWXYDFYAXQIIE-IONNQARKSA-N 2 2 208.265 0.166 10 0 BCAELP C[C@@H]1C[C@]([NH2+]C2CC2)(C(N)=O)CC[N@@H+]1C ZINC000156467988 385452717 /nfs/dbraw/zinc/45/27/17/385452717.db2.gz SCLZUSFMPOAEMW-KCJUWKMLSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@@H]1C[C@]([NH2+]C2CC2)(C(N)=O)CC[N@H+]1C ZINC000156467988 385452721 /nfs/dbraw/zinc/45/27/21/385452721.db2.gz SCLZUSFMPOAEMW-KCJUWKMLSA-N 2 2 211.309 0.077 10 0 BCAELP CCN1C(=O)C[C@@H](C[NH3+])[C@@H]1c1[nH+]ccn1C ZINC000328579658 385491181 /nfs/dbraw/zinc/49/11/81/385491181.db2.gz VEDFDPMMBYZEAR-WCBMZHEXSA-N 2 2 222.292 0.288 10 0 BCAELP CCN1C(=O)C[C@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000328579657 385491398 /nfs/dbraw/zinc/49/13/98/385491398.db2.gz VEDFDPMMBYZEAR-SCZZXKLOSA-N 2 2 222.292 0.288 10 0 BCAELP COc1cc(F)c([C@@H]([NH3+])C[NH3+])cc1OC ZINC000044469698 386779015 /nfs/dbraw/zinc/77/90/15/386779015.db2.gz PNJJWVWDULGMBB-QMMMGPOBSA-N 2 2 214.240 0.801 10 0 BCAELP C([C@@H]1C[NH2+]CCS1)[NH+]1CCSCC1 ZINC000575522750 387444193 /nfs/dbraw/zinc/44/41/93/387444193.db2.gz GHYJWQXEIVPYFE-VIFPVBQESA-N 2 2 218.391 0.740 10 0 BCAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000643454663 387386039 /nfs/dbraw/zinc/38/60/39/387386039.db2.gz LRHUIKTZOINDRN-SDDRHHMPSA-N 3 2 213.369 0.914 10 0 BCAELP C[N@H+](CC(=O)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000129483821 387771219 /nfs/dbraw/zinc/77/12/19/387771219.db2.gz LPQJBBFQAJWFCY-LBPRGKRZSA-N 2 2 239.363 0.683 10 0 BCAELP C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000129483821 387771224 /nfs/dbraw/zinc/77/12/24/387771224.db2.gz LPQJBBFQAJWFCY-LBPRGKRZSA-N 2 2 239.363 0.683 10 0 BCAELP NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515732 387921434 /nfs/dbraw/zinc/92/14/34/387921434.db2.gz KBDQMPDRDJMLLE-SNVBAGLBSA-N 2 2 234.303 0.301 10 0 BCAELP NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515732 387921437 /nfs/dbraw/zinc/92/14/37/387921437.db2.gz KBDQMPDRDJMLLE-SNVBAGLBSA-N 2 2 234.303 0.301 10 0 BCAELP COc1ccc[nH+]c1N1CCC(O)(C[NH3+])CC1 ZINC000397090589 388293252 /nfs/dbraw/zinc/29/32/52/388293252.db2.gz JUZXQUZCADEBGS-UHFFFAOYSA-N 2 2 237.303 0.380 10 0 BCAELP C[C@H]1C[N@H+](CCc2ccnn2C)C[C@H]1[NH3+] ZINC000300049456 388346442 /nfs/dbraw/zinc/34/64/42/388346442.db2.gz RXBADYHXDQKDIE-GXSJLCMTSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1[NH3+] ZINC000300049456 388346444 /nfs/dbraw/zinc/34/64/44/388346444.db2.gz RXBADYHXDQKDIE-GXSJLCMTSA-N 2 2 208.309 0.242 10 0 BCAELP C[NH+](C)C[C@H]1C[N@H+](CC[C@H]2CCCO2)CCO1 ZINC000249277446 388714380 /nfs/dbraw/zinc/71/43/80/388714380.db2.gz KFJWRHKJZFMKSM-OLZOCXBDSA-N 2 2 242.363 0.818 10 0 BCAELP C[NH+](C)C[C@H]1C[N@@H+](CC[C@H]2CCCO2)CCO1 ZINC000249277446 388714383 /nfs/dbraw/zinc/71/43/83/388714383.db2.gz KFJWRHKJZFMKSM-OLZOCXBDSA-N 2 2 242.363 0.818 10 0 BCAELP Cc1cc(N)c[nH+]c1N1CC[NH+](C)CC1 ZINC000036241584 132341356 /nfs/dbraw/zinc/34/13/56/132341356.db2.gz KIOTWWSITUMCSQ-UHFFFAOYSA-N 2 2 206.293 0.724 10 0 BCAELP c1cnc(N2CC[NH+](C3CC[NH2+]CC3)CC2)nc1 ZINC000031992580 132334934 /nfs/dbraw/zinc/33/49/34/132334934.db2.gz PVQOEWWFWODUEQ-UHFFFAOYSA-N 2 2 247.346 0.351 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N1CCC([NH3+])CC1 ZINC000036754898 132342502 /nfs/dbraw/zinc/34/25/02/132342502.db2.gz JINSIHAZDJYPOV-UHFFFAOYSA-N 2 2 232.291 0.291 10 0 BCAELP Cc1cc(N2CC[NH+](CCC[NH3+])CC2)nc(C)[nH+]1 ZINC000037756772 132345425 /nfs/dbraw/zinc/34/54/25/132345425.db2.gz ZPQXYQNXMBRIML-UHFFFAOYSA-N 3 2 249.362 0.564 10 0 BCAELP C[NH+]1CCN(c2nc(N)c3c([nH+]2)CCCC3)CC1 ZINC000039252741 132350680 /nfs/dbraw/zinc/35/06/80/132350680.db2.gz KVZUQYVLMMHKKD-UHFFFAOYSA-N 2 2 247.346 0.689 10 0 BCAELP C[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)CCO1 ZINC000051396231 132360065 /nfs/dbraw/zinc/36/00/65/132360065.db2.gz KDTYURSBXBGNJK-SECBINFHSA-N 2 2 207.277 0.765 10 0 BCAELP Cc1cnc(N2CC[NH+](CCC[NH3+])CC2)nc1 ZINC000063048354 132388833 /nfs/dbraw/zinc/38/88/33/132388833.db2.gz XPQUQIGPZITJFV-UHFFFAOYSA-N 2 2 235.335 0.256 10 0 BCAELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000179506339 134321161 /nfs/dbraw/zinc/32/11/61/134321161.db2.gz IUORZBYFERPDJU-WDEREUQCSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000179506339 134321162 /nfs/dbraw/zinc/32/11/62/134321162.db2.gz IUORZBYFERPDJU-WDEREUQCSA-N 2 2 238.335 0.297 10 0 BCAELP C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257800680 135141583 /nfs/dbraw/zinc/14/15/83/135141583.db2.gz YLVIGKLJGVMZHT-MNOVXSKESA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257800680 135141585 /nfs/dbraw/zinc/14/15/85/135141585.db2.gz YLVIGKLJGVMZHT-MNOVXSKESA-N 2 2 225.336 0.149 10 0 BCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000261534046 135165463 /nfs/dbraw/zinc/16/54/63/135165463.db2.gz LPVBIQNMUXZGCC-NSHDSACASA-N 3 2 208.309 0.615 10 0 BCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000261534046 135165464 /nfs/dbraw/zinc/16/54/64/135165464.db2.gz LPVBIQNMUXZGCC-NSHDSACASA-N 3 2 208.309 0.615 10 0 BCAELP CCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261535540 135169368 /nfs/dbraw/zinc/16/93/68/135169368.db2.gz OMWXIRUVMIPAMT-VIFPVBQESA-N 2 2 213.325 0.182 10 0 BCAELP CCNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261535540 135169370 /nfs/dbraw/zinc/16/93/70/135169370.db2.gz OMWXIRUVMIPAMT-VIFPVBQESA-N 2 2 213.325 0.182 10 0 BCAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000261535767 135170346 /nfs/dbraw/zinc/17/03/46/135170346.db2.gz PCTBBXNRDQHOTE-ONGXEEELSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000261535767 135170347 /nfs/dbraw/zinc/17/03/47/135170347.db2.gz PCTBBXNRDQHOTE-ONGXEEELSA-N 2 2 208.309 0.904 10 0 BCAELP CC[C@@H]1CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261537672 135174314 /nfs/dbraw/zinc/17/43/14/135174314.db2.gz WBWPFRQUKMLLIK-MRVPVSSYSA-N 2 2 210.281 0.760 10 0 BCAELP CC[C@@H]1CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261537672 135174315 /nfs/dbraw/zinc/17/43/15/135174315.db2.gz WBWPFRQUKMLLIK-MRVPVSSYSA-N 2 2 210.281 0.760 10 0 BCAELP COC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261538407 135176343 /nfs/dbraw/zinc/17/63/43/135176343.db2.gz XZHHFNYJYAONFU-UWVGGRQHSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261538407 135176344 /nfs/dbraw/zinc/17/63/44/135176344.db2.gz XZHHFNYJYAONFU-UWVGGRQHSA-N 2 2 214.309 0.609 10 0 BCAELP C[C@@H]1CC[C@H](C)[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261539487 135177914 /nfs/dbraw/zinc/17/79/14/135177914.db2.gz COGAXQJTEJXQNE-OCAPTIKFSA-N 2 2 210.281 0.901 10 0 BCAELP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261539487 135177915 /nfs/dbraw/zinc/17/79/15/135177915.db2.gz COGAXQJTEJXQNE-OCAPTIKFSA-N 2 2 210.281 0.901 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261544928 135186000 /nfs/dbraw/zinc/18/60/00/135186000.db2.gz FGOSGMUZAFPQLW-VXGBXAGGSA-N 2 2 239.363 0.395 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261544928 135186001 /nfs/dbraw/zinc/18/60/01/135186001.db2.gz FGOSGMUZAFPQLW-VXGBXAGGSA-N 2 2 239.363 0.395 10 0 BCAELP CC1(C)C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000261544659 135186055 /nfs/dbraw/zinc/18/60/55/135186055.db2.gz FDGWIESCBXSRTL-NSHDSACASA-N 2 2 239.363 0.572 10 0 BCAELP CC1(C)C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1[NH3+] ZINC000261544659 135186056 /nfs/dbraw/zinc/18/60/56/135186056.db2.gz FDGWIESCBXSRTL-NSHDSACASA-N 2 2 239.363 0.572 10 0 BCAELP Cc1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000261553700 135192533 /nfs/dbraw/zinc/19/25/33/135192533.db2.gz SRCCLXYKTUDNFA-SCZZXKLOSA-N 2 2 227.333 0.121 10 0 BCAELP CCC1(C[NH2+]C[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC000261553313 135192886 /nfs/dbraw/zinc/19/28/86/135192886.db2.gz NVGKBKJGXLTKJL-LBPRGKRZSA-N 2 2 242.363 0.771 10 0 BCAELP Cc1nc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cs1 ZINC000261553702 135193102 /nfs/dbraw/zinc/19/31/02/135193102.db2.gz SRCCLXYKTUDNFA-WCBMZHEXSA-N 2 2 227.333 0.121 10 0 BCAELP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000261562537 135204687 /nfs/dbraw/zinc/20/46/87/135204687.db2.gz BIZQTWSKDHPYCR-GARJFASQSA-N 2 2 218.304 0.959 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cocn3)C[C@H]12 ZINC000261592813 135233501 /nfs/dbraw/zinc/23/35/01/135233501.db2.gz WDWOIMVYPQWKNL-DVVUODLYSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cocn3)C[C@H]12 ZINC000261592813 135233502 /nfs/dbraw/zinc/23/35/02/135233502.db2.gz WDWOIMVYPQWKNL-DVVUODLYSA-N 2 2 207.277 0.844 10 0 BCAELP C[N@H+](Cc1cc[nH]n1)[C@H]1CCC[NH2+]CC1 ZINC000261546847 135239021 /nfs/dbraw/zinc/23/90/21/135239021.db2.gz LIXKOWHSAQNJMX-NSHDSACASA-N 2 2 208.309 0.984 10 0 BCAELP C[N@@H+](Cc1cc[nH]n1)[C@H]1CCC[NH2+]CC1 ZINC000261546847 135239023 /nfs/dbraw/zinc/23/90/23/135239023.db2.gz LIXKOWHSAQNJMX-NSHDSACASA-N 2 2 208.309 0.984 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261973058 135267791 /nfs/dbraw/zinc/26/77/91/135267791.db2.gz DVPXIPGVGMBWSJ-KOLCDFICSA-N 2 2 237.351 0.776 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000261973058 135267793 /nfs/dbraw/zinc/26/77/93/135267793.db2.gz DVPXIPGVGMBWSJ-KOLCDFICSA-N 2 2 237.351 0.776 10 0 BCAELP Cc1cnn([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000263031663 135328666 /nfs/dbraw/zinc/32/86/66/135328666.db2.gz RYMDTZGIJPWTDB-LLVKDONJSA-N 2 2 208.309 0.787 10 0 BCAELP Cc1cnn([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000263031663 135328667 /nfs/dbraw/zinc/32/86/67/135328667.db2.gz RYMDTZGIJPWTDB-LLVKDONJSA-N 2 2 208.309 0.787 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000085013086 135478236 /nfs/dbraw/zinc/47/82/36/135478236.db2.gz KLEVYSYAAVYGNF-RKDXNWHRSA-N 2 2 222.292 0.164 10 0 BCAELP C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401671011 533673589 /nfs/dbraw/zinc/67/35/89/533673589.db2.gz VGNBTENSHZPZAI-RTXFEEFZSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000401671011 533673595 /nfs/dbraw/zinc/67/35/95/533673595.db2.gz VGNBTENSHZPZAI-RTXFEEFZSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[C@@H](O)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000401671011 533673599 /nfs/dbraw/zinc/67/35/99/533673599.db2.gz VGNBTENSHZPZAI-RTXFEEFZSA-N 2 2 242.363 0.144 10 0 BCAELP C[C@@H]1C[C@@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000401671011 533673608 /nfs/dbraw/zinc/67/36/08/533673608.db2.gz VGNBTENSHZPZAI-RTXFEEFZSA-N 2 2 242.363 0.144 10 0 BCAELP [NH3+]C1(C(=O)NCCc2ccccc2)CC[NH2+]CC1 ZINC000168224942 397956688 /nfs/dbraw/zinc/95/66/88/397956688.db2.gz FWRQFWQSTXNTLU-UHFFFAOYSA-N 2 2 247.342 0.426 10 0 BCAELP CN(C)c1[nH+]cccc1O[C@H]1CC[NH2+]C1 ZINC000216655591 398092710 /nfs/dbraw/zinc/09/27/10/398092710.db2.gz JYCKQTIOKOPKPO-VIFPVBQESA-N 2 2 207.277 0.888 10 0 BCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000384444906 398089711 /nfs/dbraw/zinc/08/97/11/398089711.db2.gz ZYOZNGLCZYDFOH-UWVGGRQHSA-N 2 2 236.319 0.756 10 0 BCAELP CC(C)[NH2+]CC[N@H+](C)C[C@@H]1CCOC1 ZINC000042691171 167102288 /nfs/dbraw/zinc/10/22/88/167102288.db2.gz CFGJITFUGSUOBB-NSHDSACASA-N 2 2 200.326 0.953 10 0 BCAELP CC(C)[NH2+]CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000042691171 167102291 /nfs/dbraw/zinc/10/22/91/167102291.db2.gz CFGJITFUGSUOBB-NSHDSACASA-N 2 2 200.326 0.953 10 0 BCAELP CC(C)OCCN1CC[NH+](C[C@H](C)C[NH3+])CC1 ZINC000049259256 167235265 /nfs/dbraw/zinc/23/52/65/167235265.db2.gz CKXABIUQAVVYAK-CYBMUJFWSA-N 2 2 243.395 0.624 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000228657359 167317653 /nfs/dbraw/zinc/31/76/53/167317653.db2.gz VBZTXGYQSWWLDT-QWRGUYRKSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000228657359 167317657 /nfs/dbraw/zinc/31/76/57/167317657.db2.gz VBZTXGYQSWWLDT-QWRGUYRKSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)[NH2+]C1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000037869220 167093229 /nfs/dbraw/zinc/09/32/29/167093229.db2.gz HWGVXJSILDINQV-UHFFFAOYSA-N 2 2 227.352 0.713 10 0 BCAELP CC(C)[NH2+]CC[N@H+](C)C[C@H]1CCOC1 ZINC000042691172 167102048 /nfs/dbraw/zinc/10/20/48/167102048.db2.gz CFGJITFUGSUOBB-LLVKDONJSA-N 2 2 200.326 0.953 10 0 BCAELP CC(C)[NH2+]CC[N@@H+](C)C[C@H]1CCOC1 ZINC000042691172 167102050 /nfs/dbraw/zinc/10/20/50/167102050.db2.gz CFGJITFUGSUOBB-LLVKDONJSA-N 2 2 200.326 0.953 10 0 BCAELP CC(C)[NH2+]CC[NH+]1CCC(CC(N)=O)CC1 ZINC000044413069 167104450 /nfs/dbraw/zinc/10/44/50/167104450.db2.gz SYMOGJNYBCAMPL-UHFFFAOYSA-N 2 2 227.352 0.572 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)COc1cc[nH+]cc1 ZINC000095560250 167110471 /nfs/dbraw/zinc/11/04/71/167110471.db2.gz DUGVYNWQMLQORK-SNVBAGLBSA-N 2 2 210.277 0.819 10 0 BCAELP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557262 169785497 /nfs/dbraw/zinc/78/54/97/169785497.db2.gz CCCBWZXAWHVLBC-OLZOCXBDSA-N 3 2 245.411 0.619 10 0 BCAELP Cc1nocc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000398973568 411003532 /nfs/dbraw/zinc/00/35/32/411003532.db2.gz BMIVJFAZZYBLSO-UHFFFAOYSA-N 2 2 239.319 0.529 10 0 BCAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645739 411271383 /nfs/dbraw/zinc/27/13/83/411271383.db2.gz GRZDCOZCZDTPDY-PSASIEDQSA-N 2 2 224.308 0.742 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000070645692 411271589 /nfs/dbraw/zinc/27/15/89/411271589.db2.gz QVSJMJQUDJMFJU-VIFPVBQESA-N 2 2 222.292 0.368 10 0 BCAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070645740 411271683 /nfs/dbraw/zinc/27/16/83/411271683.db2.gz GRZDCOZCZDTPDY-WCBMZHEXSA-N 2 2 224.308 0.742 10 0 BCAELP Nc1cc([C@H]2CC[N@H+](CCO)CCO2)cc[nH+]1 ZINC000616595071 411280163 /nfs/dbraw/zinc/28/01/63/411280163.db2.gz JNZQCTDDTWTFHX-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP Nc1cc([C@H]2CC[N@@H+](CCO)CCO2)cc[nH+]1 ZINC000616595071 411280167 /nfs/dbraw/zinc/28/01/67/411280167.db2.gz JNZQCTDDTWTFHX-LLVKDONJSA-N 2 2 237.303 0.420 10 0 BCAELP Nc1ccn([C@H]2CCC[N@H+](CC[NH3+])CC2)n1 ZINC000616629642 411287916 /nfs/dbraw/zinc/28/79/16/411287916.db2.gz STZMDBIJKUEPRO-JTQLQIEISA-N 2 2 223.324 0.451 10 0 BCAELP Nc1ccn([C@H]2CCC[N@@H+](CC[NH3+])CC2)n1 ZINC000616629642 411287918 /nfs/dbraw/zinc/28/79/18/411287918.db2.gz STZMDBIJKUEPRO-JTQLQIEISA-N 2 2 223.324 0.451 10 0 BCAELP CCC(=O)N1CC[NH+](C[C@@H](C)C[NH3+])CC1 ZINC000037038555 168221273 /nfs/dbraw/zinc/22/12/73/168221273.db2.gz KBEYLXZOHZTEPY-JTQLQIEISA-N 2 2 213.325 0.135 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](Nc2cc[nH]n2)CC1 ZINC000616602210 411383041 /nfs/dbraw/zinc/38/30/41/411383041.db2.gz UUPOCQHYCYNIPG-SNVBAGLBSA-N 2 2 223.324 0.635 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](Nc2cc[nH]n2)CC1 ZINC000616602210 411383045 /nfs/dbraw/zinc/38/30/45/411383045.db2.gz UUPOCQHYCYNIPG-SNVBAGLBSA-N 2 2 223.324 0.635 10 0 BCAELP OCC[N@@H+]1CCCO[C@H](n2cc[nH+]c2)C1 ZINC000616648824 411411085 /nfs/dbraw/zinc/41/10/85/411411085.db2.gz DIQZVRKIICDBBR-JTQLQIEISA-N 2 2 211.265 0.096 10 0 BCAELP OCC[N@H+]1CCCO[C@H](n2cc[nH+]c2)C1 ZINC000616648824 411411089 /nfs/dbraw/zinc/41/10/89/411411089.db2.gz DIQZVRKIICDBBR-JTQLQIEISA-N 2 2 211.265 0.096 10 0 BCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]21 ZINC000653584478 411425376 /nfs/dbraw/zinc/42/53/76/411425376.db2.gz YSCIIGOMTJKOEW-AGIUHOORSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]21 ZINC000653584478 411425379 /nfs/dbraw/zinc/42/53/79/411425379.db2.gz YSCIIGOMTJKOEW-AGIUHOORSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000653584478 411425382 /nfs/dbraw/zinc/42/53/82/411425382.db2.gz YSCIIGOMTJKOEW-AGIUHOORSA-N 2 2 242.363 0.410 10 0 BCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000653584478 411425385 /nfs/dbraw/zinc/42/53/85/411425385.db2.gz YSCIIGOMTJKOEW-AGIUHOORSA-N 2 2 242.363 0.410 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000328209628 170013892 /nfs/dbraw/zinc/01/38/92/170013892.db2.gz UZBREHLBGKEYNO-VXGBXAGGSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cn2cccn2)C1 ZINC000328209628 170013893 /nfs/dbraw/zinc/01/38/93/170013893.db2.gz UZBREHLBGKEYNO-VXGBXAGGSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000336677228 170040060 /nfs/dbraw/zinc/04/00/60/170040060.db2.gz BLSMNUYOICGZGK-HBNTYKKESA-N 2 2 227.352 0.441 10 0 BCAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)NC)C1 ZINC000336677228 170040061 /nfs/dbraw/zinc/04/00/61/170040061.db2.gz BLSMNUYOICGZGK-HBNTYKKESA-N 2 2 227.352 0.441 10 0 BCAELP CCNC(=O)C[N@H+](CC)CC[C@@H]1CCCC[NH2+]1 ZINC000042369471 170056542 /nfs/dbraw/zinc/05/65/42/170056542.db2.gz IAKQNTLEZYLFLH-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCNC(=O)C[N@@H+](CC)CC[C@@H]1CCCC[NH2+]1 ZINC000042369471 170056544 /nfs/dbraw/zinc/05/65/44/170056544.db2.gz IAKQNTLEZYLFLH-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CC[NH2+][C@@H](C)CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000061270003 170139336 /nfs/dbraw/zinc/13/93/36/170139336.db2.gz WOFFEIYCGLEEQJ-WDEREUQCSA-N 2 2 238.335 0.776 10 0 BCAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+](C)C)OCCO2 ZINC000043816100 170150437 /nfs/dbraw/zinc/15/04/37/170150437.db2.gz KMZDAHAGUNFWIN-MNOVXSKESA-N 2 2 228.336 0.822 10 0 BCAELP CC[NH2+][C@H](C)CN1CCn2cc[nH+]c2C1 ZINC000062250409 170156785 /nfs/dbraw/zinc/15/67/85/170156785.db2.gz KCWLUBGKUPGULT-SNVBAGLBSA-N 2 2 208.309 0.697 10 0 BCAELP CCOC(=O)[C@H]([NH3+])Cn1cc[nH+]c1CC ZINC000045460459 170274934 /nfs/dbraw/zinc/27/49/34/170274934.db2.gz NNKUFTCUPFYVPU-MRVPVSSYSA-N 2 2 211.265 0.336 10 0 BCAELP CCOC(=O)[C@H]([NH3+])Cn1c[nH+]c(C)c1C ZINC000051928151 170275071 /nfs/dbraw/zinc/27/50/71/170275071.db2.gz QSBHZUQMIKHNPZ-SECBINFHSA-N 2 2 211.265 0.390 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133484868 411774644 /nfs/dbraw/zinc/77/46/44/411774644.db2.gz IANHZDBNQYWRKH-GFCCVEGCSA-N 2 2 236.319 0.900 10 0 BCAELP CC[C@@H]1CC[N@H+](C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662285 171010506 /nfs/dbraw/zinc/01/05/06/171010506.db2.gz DSNZBLAGFSZGQG-VXGBXAGGSA-N 2 2 228.336 0.476 10 0 BCAELP CC[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662285 171010508 /nfs/dbraw/zinc/01/05/08/171010508.db2.gz DSNZBLAGFSZGQG-VXGBXAGGSA-N 2 2 228.336 0.476 10 0 BCAELP CC[C@H](C)NC(=O)C[NH2+]CCC[NH+](C)C ZINC000020054090 171326837 /nfs/dbraw/zinc/32/68/37/171326837.db2.gz ZSVIGSGPVPBMNX-JTQLQIEISA-N 2 2 215.341 0.442 10 0 BCAELP CC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827033 171339787 /nfs/dbraw/zinc/33/97/87/171339787.db2.gz QGASJCDPFRCXOT-NSHDSACASA-N 2 2 239.363 0.681 10 0 BCAELP [NH3+]CC(F)(F)CNc1[nH+]cnc2[nH]ccc21 ZINC000420241123 412297679 /nfs/dbraw/zinc/29/76/79/412297679.db2.gz NXMHBJXOWWMCHM-UHFFFAOYSA-N 2 2 227.218 0.964 10 0 BCAELP Cc1nc(NCC23CC(C2)C[NH2+]3)cc[nH+]1 ZINC000663274012 412404554 /nfs/dbraw/zinc/40/45/54/412404554.db2.gz KINCAQJRSMFPJU-UHFFFAOYSA-N 2 2 204.277 0.949 10 0 BCAELP CCn1c(C)nnc1[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000042029940 172142455 /nfs/dbraw/zinc/14/24/55/172142455.db2.gz XCOLFUIEOCYJNP-VIFPVBQESA-N 2 2 220.280 0.572 10 0 BCAELP CCn1c(C)nnc1[C@@H]([NH3+])Cc1c[nH]c[nH+]1 ZINC000042029940 172142458 /nfs/dbraw/zinc/14/24/58/172142458.db2.gz XCOLFUIEOCYJNP-VIFPVBQESA-N 2 2 220.280 0.572 10 0 BCAELP CCn1cc(C[N@H+](CCC[NH3+])CCOC)cn1 ZINC000071224294 172162569 /nfs/dbraw/zinc/16/25/69/172162569.db2.gz UTTZDINJBSAAPH-UHFFFAOYSA-N 2 2 240.351 0.700 10 0 BCAELP CCn1cc(C[N@@H+](CCC[NH3+])CCOC)cn1 ZINC000071224294 172162570 /nfs/dbraw/zinc/16/25/70/172162570.db2.gz UTTZDINJBSAAPH-UHFFFAOYSA-N 2 2 240.351 0.700 10 0 BCAELP CCn1cnnc1[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000054497698 172239706 /nfs/dbraw/zinc/23/97/06/172239706.db2.gz PCMBAMAQONOKGI-QMMMGPOBSA-N 2 2 206.253 0.264 10 0 BCAELP CCn1cnnc1[C@@H]([NH3+])Cc1c[nH]c[nH+]1 ZINC000054497698 172239708 /nfs/dbraw/zinc/23/97/08/172239708.db2.gz PCMBAMAQONOKGI-QMMMGPOBSA-N 2 2 206.253 0.264 10 0 BCAELP CCn1cnnc1[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000054497697 172239742 /nfs/dbraw/zinc/23/97/42/172239742.db2.gz PCMBAMAQONOKGI-MRVPVSSYSA-N 2 2 206.253 0.264 10 0 BCAELP CCn1cnnc1[C@H]([NH3+])Cc1c[nH]c[nH+]1 ZINC000054497697 172239743 /nfs/dbraw/zinc/23/97/43/172239743.db2.gz PCMBAMAQONOKGI-MRVPVSSYSA-N 2 2 206.253 0.264 10 0 BCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1c[nH+]cn1C ZINC000177240184 172385856 /nfs/dbraw/zinc/38/58/56/172385856.db2.gz KBPCMTFZIZLYNQ-LLVKDONJSA-N 2 2 236.319 0.473 10 0 BCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1c[nH+]cn1C ZINC000177240184 172385857 /nfs/dbraw/zinc/38/58/57/172385857.db2.gz KBPCMTFZIZLYNQ-LLVKDONJSA-N 2 2 236.319 0.473 10 0 BCAELP CN(Cc1[nH+]ccn1C)[C@@H]1CCCC[NH2+]C1 ZINC000062327625 172931738 /nfs/dbraw/zinc/93/17/38/172931738.db2.gz LQVJHAMRTWUJRW-LLVKDONJSA-N 2 2 222.336 0.994 10 0 BCAELP C[NH+]1CCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052379421 173090357 /nfs/dbraw/zinc/09/03/57/173090357.db2.gz LIHBLGBHSQVQCY-UHFFFAOYSA-N 2 2 226.349 0.349 10 0 BCAELP C[N@@H+]1CC[C@@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666503 173111273 /nfs/dbraw/zinc/11/12/73/173111273.db2.gz DUURGJUDJRKVRF-GFCCVEGCSA-N 3 2 211.353 0.624 10 0 BCAELP C[N@H+]1CC[C@@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666503 173111274 /nfs/dbraw/zinc/11/12/74/173111274.db2.gz DUURGJUDJRKVRF-GFCCVEGCSA-N 3 2 211.353 0.624 10 0 BCAELP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812866 173126054 /nfs/dbraw/zinc/12/60/54/173126054.db2.gz XGHQEGIKMMBMIH-SECBINFHSA-N 2 2 236.344 0.832 10 0 BCAELP C[N@H+]1CC[C@@H](Nc2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812866 173126056 /nfs/dbraw/zinc/12/60/56/173126056.db2.gz XGHQEGIKMMBMIH-SECBINFHSA-N 2 2 236.344 0.832 10 0 BCAELP C[N@@H+]1C[C@H]2O[NH+]=C(c3ccc(N)cc3)[C@@H]2C1 ZINC000073169682 173199694 /nfs/dbraw/zinc/19/96/94/173199694.db2.gz YQAPLHYTMNJLOS-GHMZBOCLSA-N 2 2 217.272 0.933 10 0 BCAELP C[N@H+]1C[C@H]2O[NH+]=C(c3ccc(N)cc3)[C@@H]2C1 ZINC000073169682 173199696 /nfs/dbraw/zinc/19/96/96/173199696.db2.gz YQAPLHYTMNJLOS-GHMZBOCLSA-N 2 2 217.272 0.933 10 0 BCAELP CNC(=O)C1CC[NH+]([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948813 173224918 /nfs/dbraw/zinc/22/49/18/173224918.db2.gz LUPAQDIZXSVBQK-JQWIXIFHSA-N 2 2 239.363 0.585 10 0 BCAELP CNC(=O)C[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] 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0.959 10 0 BCAELP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@@H+]1C ZINC000095422827 177372047 /nfs/dbraw/zinc/37/20/47/177372047.db2.gz FEPONRPRDXDPDF-AXFHLTTASA-N 2 2 225.336 0.289 10 0 BCAELP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@H+]1C ZINC000095422827 177372049 /nfs/dbraw/zinc/37/20/49/177372049.db2.gz FEPONRPRDXDPDF-AXFHLTTASA-N 2 2 225.336 0.289 10 0 BCAELP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000328445079 487687155 /nfs/dbraw/zinc/68/71/55/487687155.db2.gz BRNJCHWDLASQCG-GFCCVEGCSA-N 2 2 242.363 0.602 10 0 BCAELP CCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000328445079 487687164 /nfs/dbraw/zinc/68/71/64/487687164.db2.gz BRNJCHWDLASQCG-GFCCVEGCSA-N 2 2 242.363 0.602 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234128667 487763335 /nfs/dbraw/zinc/76/33/35/487763335.db2.gz AGHAYALISJTOIS-KOLCDFICSA-N 2 2 222.336 0.762 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234128667 487763337 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488041159 /nfs/dbraw/zinc/04/11/59/488041159.db2.gz HECQVJWTHXFXHJ-JTQLQIEISA-N 2 2 246.314 0.974 10 0 BCAELP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000094085873 487512494 /nfs/dbraw/zinc/51/24/94/487512494.db2.gz KVYHZGXDHGFTEJ-SCZZXKLOSA-N 2 2 246.314 0.869 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC000136309492 488178916 /nfs/dbraw/zinc/17/89/16/488178916.db2.gz BSEJAFULAOZMEQ-NSHDSACASA-N 2 2 238.335 0.763 10 0 BCAELP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043803068 488207451 /nfs/dbraw/zinc/20/74/51/488207451.db2.gz WVSVMKIYTSYOJV-YNEHKIRRSA-N 2 2 240.347 0.618 10 0 BCAELP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043803068 488207456 /nfs/dbraw/zinc/20/74/56/488207456.db2.gz WVSVMKIYTSYOJV-YNEHKIRRSA-N 2 2 240.347 0.618 10 0 BCAELP COc1ccc[nH+]c1NC[C@@H]1C[NH2+]CCCO1 ZINC000389894339 490273689 /nfs/dbraw/zinc/27/36/89/490273689.db2.gz LKYHYBJGVJRHTR-JTQLQIEISA-N 2 2 237.303 0.881 10 0 BCAELP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261588234 535629195 /nfs/dbraw/zinc/62/91/95/535629195.db2.gz SEVVUFCNTLAJFR-HBNTYKKESA-N 2 2 246.376 0.090 10 0 BCAELP CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C1 ZINC000226071372 534651195 /nfs/dbraw/zinc/65/11/95/534651195.db2.gz DQEUWUHMLBXVJI-UWVGGRQHSA-N 2 2 200.326 0.735 10 0 BCAELP CCOC(=O)[C@@](C)(Cn1cc[nH+]c1)[NH2+]C ZINC000045432184 582878258 /nfs/dbraw/zinc/87/82/58/582878258.db2.gz ZRMAWYRYDDIXKH-SNVBAGLBSA-N 2 2 211.265 0.424 10 0 BCAELP [NH3+]Cc1nc([C@@H]([NH3+])c2cc(F)ccc2F)no1 ZINC000095532988 527265775 /nfs/dbraw/zinc/26/57/75/527265775.db2.gz KBXKIOACOGGLQB-VIFPVBQESA-N 2 2 240.213 0.855 10 0 BCAELP [NH3+]Cc1nc([C@@H]([NH3+])c2ccc(F)cc2F)no1 ZINC000095532973 527266472 /nfs/dbraw/zinc/26/64/72/527266472.db2.gz ZOADVSCGDJQKLS-VIFPVBQESA-N 2 2 240.213 0.855 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261544926 534968831 /nfs/dbraw/zinc/96/88/31/534968831.db2.gz FGOSGMUZAFPQLW-NWDGAFQWSA-N 2 2 239.363 0.395 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261544926 534968835 /nfs/dbraw/zinc/96/88/35/534968835.db2.gz FGOSGMUZAFPQLW-NWDGAFQWSA-N 2 2 239.363 0.395 10 0 BCAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000252726980 535266127 /nfs/dbraw/zinc/26/61/27/535266127.db2.gz JUOFMTDZVJMFKO-AXFHLTTASA-N 2 2 227.352 0.569 10 0 BCAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CC(N)=O)[C@@H](C)C1 ZINC000252726980 535266133 /nfs/dbraw/zinc/26/61/33/535266133.db2.gz JUOFMTDZVJMFKO-AXFHLTTASA-N 2 2 227.352 0.569 10 0 BCAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000233502637 535582914 /nfs/dbraw/zinc/58/29/14/535582914.db2.gz DMXRGIAAOFGTID-STQMWFEESA-N 3 2 243.395 0.814 10 0 BCAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](CCC[NH3+])COC)C1 ZINC000233502637 535582920 /nfs/dbraw/zinc/58/29/20/535582920.db2.gz DMXRGIAAOFGTID-STQMWFEESA-N 3 2 243.395 0.814 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261578216 535627012 /nfs/dbraw/zinc/62/70/12/535627012.db2.gz LPAYVWKEQOCDQS-UWVGGRQHSA-N 2 2 228.336 0.997 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261578216 535627014 /nfs/dbraw/zinc/62/70/14/535627014.db2.gz LPAYVWKEQOCDQS-UWVGGRQHSA-N 2 2 228.336 0.997 10 0 BCAELP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261588234 535629189 /nfs/dbraw/zinc/62/91/89/535629189.db2.gz SEVVUFCNTLAJFR-HBNTYKKESA-N 2 2 246.376 0.090 10 0 BCAELP CC[C@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261538033 536070789 /nfs/dbraw/zinc/07/07/89/536070789.db2.gz XFBCKWXQTKVAHZ-QMMMGPOBSA-N 2 2 210.281 0.903 10 0 BCAELP CC[C@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261538033 536070792 /nfs/dbraw/zinc/07/07/92/536070792.db2.gz XFBCKWXQTKVAHZ-QMMMGPOBSA-N 2 2 210.281 0.903 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261536764 536631342 /nfs/dbraw/zinc/63/13/42/536631342.db2.gz SVBMWEGJIGFTAR-XKNYDFJKSA-N 2 2 212.293 0.217 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261536764 536631343 /nfs/dbraw/zinc/63/13/43/536631343.db2.gz SVBMWEGJIGFTAR-XKNYDFJKSA-N 2 2 212.293 0.217 10 0 BCAELP COC[C@]1(CNc2cc(C)[nH+]cn2)CCC[NH2+]1 ZINC000261553880 536687758 /nfs/dbraw/zinc/68/77/58/536687758.db2.gz OJPUTANHYCCVGT-GFCCVEGCSA-N 2 2 236.319 0.966 10 0 BCAELP COC(=O)[C@@H](Cn1cc[nH+]c1)[NH2+]C(C)C ZINC000045432069 582878159 /nfs/dbraw/zinc/87/81/59/582878159.db2.gz GKPOXTVDXDZCIO-SECBINFHSA-N 2 2 211.265 0.423 10 0 BCAELP CCOC(=O)[C@@H]1C[NH2+]C[C@@]12C[NH+]1CCC2CC1 ZINC000757185191 586434207 /nfs/dbraw/zinc/43/42/07/586434207.db2.gz PTYBXFZADXKXOF-AAEUAGOBSA-N 2 2 238.331 0.481 10 0 BCAELP CCOC(=O)[C@@H]1C[NH2+]C[C@]12C[NH+]1CCC2CC1 ZINC000757185194 586434250 /nfs/dbraw/zinc/43/42/50/586434250.db2.gz PTYBXFZADXKXOF-WCQYABFASA-N 2 2 238.331 0.481 10 0 BCAELP COC(=O)[C@@H]1C[NH2+]C[C@@]12C[NH+]1CCC2CC1 ZINC000757185268 586434261 /nfs/dbraw/zinc/43/42/61/586434261.db2.gz QRWABILUNKEDML-JQWIXIFHSA-N 2 2 224.304 0.091 10 0 BCAELP CC[C@H](C)Cn1c[nH+]c(C[C@@H]([NH3+])CO)c1 ZINC000757193257 586436438 /nfs/dbraw/zinc/43/64/38/586436438.db2.gz ZSDFTVCIYICNOQ-VHSXEESVSA-N 2 2 211.309 0.791 10 0 BCAELP C[N@@H+]1CCN(c2cncc(Cl)n2)[C@H](C[NH3+])C1 ZINC000126509824 590323886 /nfs/dbraw/zinc/32/38/86/590323886.db2.gz KQUXULRRTTYCTP-MRVPVSSYSA-N 2 2 241.726 0.209 10 0 BCAELP C[N@H+]1CCN(c2cncc(Cl)n2)[C@H](C[NH3+])C1 ZINC000126509824 590323888 /nfs/dbraw/zinc/32/38/88/590323888.db2.gz KQUXULRRTTYCTP-MRVPVSSYSA-N 2 2 241.726 0.209 10 0 BCAELP C[C@@H]([NH3+])CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000258766598 635197429 /nfs/dbraw/zinc/19/74/29/635197429.db2.gz QEIVMSQRGBHRNU-MRVPVSSYSA-N 2 2 221.308 0.834 10 0 BCAELP C[C@@H](C[NH3+])N(C)c1cc(N(C)C)[nH+]cn1 ZINC000258858741 635214704 /nfs/dbraw/zinc/21/47/04/635214704.db2.gz ZRQWFDIIBMDPAX-QMMMGPOBSA-N 2 2 209.297 0.326 10 0 BCAELP CN(C)c1cc(N2CC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000258880205 635216663 /nfs/dbraw/zinc/21/66/63/635216663.db2.gz DTCFHCCFPGOSRZ-MRVPVSSYSA-N 2 2 207.281 0.080 10 0 BCAELP NC(=O)C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000211634137 636711275 /nfs/dbraw/zinc/71/12/75/636711275.db2.gz YXYDFGLNJOLNMY-AWEZNQCLSA-N 2 2 247.342 0.855 10 0 BCAELP NC(=O)C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000211634137 636711280 /nfs/dbraw/zinc/71/12/80/636711280.db2.gz YXYDFGLNJOLNMY-AWEZNQCLSA-N 2 2 247.342 0.855 10 0 BCAELP c1cncc(NCC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000067603525 636716171 /nfs/dbraw/zinc/71/61/71/636716171.db2.gz IMUCBEYDUHZOKU-LBPRGKRZSA-N 2 2 220.320 0.835 10 0 BCAELP c1cncc(NCC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000067603524 636716494 /nfs/dbraw/zinc/71/64/94/636716494.db2.gz IMUCBEYDUHZOKU-GFCCVEGCSA-N 2 2 220.320 0.835 10 0 BCAELP COC(=O)[C@@](C)([NH3+])Cn1cc[nH+]c1C(C)C ZINC000045430846 640556525 /nfs/dbraw/zinc/55/65/25/640556525.db2.gz GKZFCLCUEXQREF-NSHDSACASA-N 2 2 225.292 0.897 10 0 BCAELP CC(C)[NH2+][C@@](C)(CCn1cc[nH+]c1)C(N)=O ZINC000045432378 640557528 /nfs/dbraw/zinc/55/75/28/640557528.db2.gz PZSLEJLCPICHAG-NSHDSACASA-N 2 2 224.308 0.515 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)C ZINC000169275396 640847219 /nfs/dbraw/zinc/84/72/19/640847219.db2.gz ARWUDXXHZAFQNH-NEPJUHHUSA-N 2 2 230.352 0.456 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)COC(C)C ZINC000169275396 640847222 /nfs/dbraw/zinc/84/72/22/640847222.db2.gz ARWUDXXHZAFQNH-NEPJUHHUSA-N 2 2 230.352 0.456 10 0 BCAELP CCOC(=O)[C@@H](CCn1cc[nH+]c1C)[NH2+]C ZINC000062535106 641057902 /nfs/dbraw/zinc/05/79/02/641057902.db2.gz IKGPHMUWEGKLMH-SNVBAGLBSA-N 2 2 225.292 0.733 10 0 BCAELP CCC[NH2+][C@H](CCn1cc[nH+]c1)C(N)=O ZINC000062534873 641058467 /nfs/dbraw/zinc/05/84/67/641058467.db2.gz WVGNATZAPLUGID-SECBINFHSA-N 2 2 210.281 0.127 10 0 BCAELP Cn1cncc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231463854 641174430 /nfs/dbraw/zinc/17/44/30/641174430.db2.gz NCTUCMAKXGJLHR-LLVKDONJSA-N 2 2 222.336 0.994 10 0 BCAELP Cn1cncc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231463854 641174437 /nfs/dbraw/zinc/17/44/37/641174437.db2.gz NCTUCMAKXGJLHR-LLVKDONJSA-N 2 2 222.336 0.994 10 0 BCAELP CC(C)COCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232676682 641344040 /nfs/dbraw/zinc/34/40/40/641344040.db2.gz CZTDDNTWGONACU-MNOVXSKESA-N 2 2 200.326 0.938 10 0 BCAELP CC(C)COCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232676682 641344044 /nfs/dbraw/zinc/34/40/44/641344044.db2.gz CZTDDNTWGONACU-MNOVXSKESA-N 2 2 200.326 0.938 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089092140 641427690 /nfs/dbraw/zinc/42/76/90/641427690.db2.gz LGWIEUUHYDHDEL-WCBMZHEXSA-N 2 2 246.318 0.903 10 0 BCAELP CC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800141 643382945 /nfs/dbraw/zinc/38/29/45/643382945.db2.gz AHRRNGUOKZLSCR-ONGXEEELSA-N 2 2 224.308 0.688 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227910257 643762033 /nfs/dbraw/zinc/76/20/33/643762033.db2.gz CZFWVFMELUGSJO-MNOVXSKESA-N 2 2 216.325 0.197 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227910257 643762037 /nfs/dbraw/zinc/76/20/37/643762037.db2.gz CZFWVFMELUGSJO-MNOVXSKESA-N 2 2 216.325 0.197 10 0 BCAELP Cc1ncsc1C[NH2+]C[C@H](O)C[NH+](C)C ZINC000078975425 644141423 /nfs/dbraw/zinc/14/14/23/644141423.db2.gz LTKLJVIFHHQXKY-VIFPVBQESA-N 2 2 229.349 0.464 10 0 BCAELP COC(=O)[C@]1([NH3+])CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604643 644155807 /nfs/dbraw/zinc/15/58/07/644155807.db2.gz OOSNPHLOMHKRBO-KOLCDFICSA-N 2 2 223.276 0.869 10 0 BCAELP CCC[NH2+][C@@](C)(CCn1cc[nH+]c1)C(N)=O ZINC000084507771 644425400 /nfs/dbraw/zinc/42/54/00/644425400.db2.gz FWRDZHNYBVJANZ-NSHDSACASA-N 2 2 224.308 0.517 10 0 BCAELP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094087857 644708324 /nfs/dbraw/zinc/70/83/24/644708324.db2.gz ORIQXCINQUEYFH-ZDUSSCGKSA-N 2 2 247.342 0.676 10 0 BCAELP C([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000722311409 711734272 /nfs/dbraw/zinc/73/42/72/711734272.db2.gz DAMZCVYKMYBAJU-SDDRHHMPSA-N 2 2 210.321 0.896 10 0 BCAELP Cc1nonc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830072 712199876 /nfs/dbraw/zinc/19/98/76/712199876.db2.gz JTOQIAQOXUPFRK-APPZFPTMSA-N 2 2 210.281 0.405 10 0 BCAELP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830072 712199877 /nfs/dbraw/zinc/19/98/77/712199877.db2.gz JTOQIAQOXUPFRK-APPZFPTMSA-N 2 2 210.281 0.405 10 0 BCAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720606244 712858066 /nfs/dbraw/zinc/85/80/66/712858066.db2.gz KEZFSFYFCCEEPO-DCAQKATOSA-N 2 2 237.351 0.854 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720803520 712866796 /nfs/dbraw/zinc/86/67/96/712866796.db2.gz HQHXCOVEUPASQW-VXGBXAGGSA-N 2 2 244.379 0.833 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720803520 712866797 /nfs/dbraw/zinc/86/67/97/712866797.db2.gz HQHXCOVEUPASQW-VXGBXAGGSA-N 2 2 244.379 0.833 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720803516 712866805 /nfs/dbraw/zinc/86/68/05/712866805.db2.gz HQHXCOVEUPASQW-NEPJUHHUSA-N 2 2 244.379 0.833 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720803516 712866807 /nfs/dbraw/zinc/86/68/07/712866807.db2.gz HQHXCOVEUPASQW-NEPJUHHUSA-N 2 2 244.379 0.833 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720803517 712866815 /nfs/dbraw/zinc/86/68/15/712866815.db2.gz HQHXCOVEUPASQW-NWDGAFQWSA-N 2 2 244.379 0.833 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720803517 712866816 /nfs/dbraw/zinc/86/68/16/712866816.db2.gz HQHXCOVEUPASQW-NWDGAFQWSA-N 2 2 244.379 0.833 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955261 538900475 /nfs/dbraw/zinc/90/04/75/538900475.db2.gz WYUSERNHGQMRDE-NWDGAFQWSA-N 2 2 209.337 0.504 10 0 BCAELP CC[N@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955261 538900476 /nfs/dbraw/zinc/90/04/76/538900476.db2.gz WYUSERNHGQMRDE-NWDGAFQWSA-N 2 2 209.337 0.504 10 0 BCAELP CCN1CC[C@H]([NH3+])[C@]12C[NH+]1CCC2CC1 ZINC000685955261 538900479 /nfs/dbraw/zinc/90/04/79/538900479.db2.gz WYUSERNHGQMRDE-NWDGAFQWSA-N 2 2 209.337 0.504 10 0 BCAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000383747806 349468168 /nfs/dbraw/zinc/46/81/68/349468168.db2.gz DIVQHAMZLPTZDP-RYUDHWBXSA-N 2 2 243.395 0.229 10 0 BCAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)C(C)(C)C ZINC000383747806 349468169 /nfs/dbraw/zinc/46/81/69/349468169.db2.gz DIVQHAMZLPTZDP-RYUDHWBXSA-N 2 2 243.395 0.229 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000379970121 398177219 /nfs/dbraw/zinc/17/72/19/398177219.db2.gz LHQDFPDNVQKJLV-SECBINFHSA-N 2 2 224.308 0.708 10 0 BCAELP Cc1cc(N2CCCN(CC[NH3+])CC2)nc[nH+]1 ZINC000040726874 178115222 /nfs/dbraw/zinc/11/52/22/178115222.db2.gz BYNMBKLSIQSEAS-UHFFFAOYSA-N 2 2 235.335 0.256 10 0 BCAELP Cc1cc(C)n(CC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000386764447 398219771 /nfs/dbraw/zinc/21/97/71/398219771.db2.gz JCYNYOAKEMXYOP-SKDRFNHKSA-N 2 2 222.336 0.779 10 0 BCAELP Cc1cc(C)n(CC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)n1 ZINC000386764447 398219773 /nfs/dbraw/zinc/21/97/73/398219773.db2.gz JCYNYOAKEMXYOP-SKDRFNHKSA-N 2 2 222.336 0.779 10 0 BCAELP C[C@@H]1OCC[C@@]1(C[NH3+])[NH+]1CCSCC1 ZINC000134405500 342837909 /nfs/dbraw/zinc/83/79/09/342837909.db2.gz BPPICVYOSSFUFD-UWVGGRQHSA-N 2 2 216.350 0.542 10 0 BCAELP C[N@H+]([C@@H]1CCOC1)[C@]1(C[NH3+])CCSC1 ZINC000134654478 342875395 /nfs/dbraw/zinc/87/53/95/342875395.db2.gz LIVPOPRVZADZAF-ZJUUUORDSA-N 2 2 216.350 0.542 10 0 BCAELP C[N@@H+]([C@@H]1CCOC1)[C@]1(C[NH3+])CCSC1 ZINC000134654478 342875396 /nfs/dbraw/zinc/87/53/96/342875396.db2.gz LIVPOPRVZADZAF-ZJUUUORDSA-N 2 2 216.350 0.542 10 0 BCAELP CCn1cc[nH+]c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234214634 342918869 /nfs/dbraw/zinc/91/88/69/342918869.db2.gz SIXPAJOLHSVPPJ-ZJUUUORDSA-N 2 2 208.309 0.682 10 0 BCAELP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000123451269 398338215 /nfs/dbraw/zinc/33/82/15/398338215.db2.gz CHKPCPINVLQVBC-LBPRGKRZSA-N 2 2 233.315 0.709 10 0 BCAELP NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000123451269 398338216 /nfs/dbraw/zinc/33/82/16/398338216.db2.gz CHKPCPINVLQVBC-LBPRGKRZSA-N 2 2 233.315 0.709 10 0 BCAELP [NH3+]CC1([NH3+])CC[NH+](Cc2ccncc2)CC1 ZINC000116851198 342938645 /nfs/dbraw/zinc/93/86/45/342938645.db2.gz WGEMXCTUBHNTPZ-UHFFFAOYSA-N 3 2 220.320 0.334 10 0 BCAELP CCn1cc[nH+]c1CN1CCC[C@@H]1C[NH3+] ZINC000168935606 343210414 /nfs/dbraw/zinc/21/04/14/343210414.db2.gz UHLUPXWVQZZMJU-SNVBAGLBSA-N 2 2 208.309 0.826 10 0 BCAELP NC(=O)c1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616620428 343523312 /nfs/dbraw/zinc/52/33/12/343523312.db2.gz JLLMHHDXHADXBS-CYBMUJFWSA-N 2 2 247.342 0.924 10 0 BCAELP NC(=O)c1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616620428 343523314 /nfs/dbraw/zinc/52/33/14/343523314.db2.gz JLLMHHDXHADXBS-CYBMUJFWSA-N 2 2 247.342 0.924 10 0 BCAELP OCC[N@@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616665766 343534046 /nfs/dbraw/zinc/53/40/46/343534046.db2.gz WMLGLGHJIZHRBE-JTQLQIEISA-N 2 2 211.265 0.096 10 0 BCAELP OCC[N@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616665766 343534049 /nfs/dbraw/zinc/53/40/49/343534049.db2.gz WMLGLGHJIZHRBE-JTQLQIEISA-N 2 2 211.265 0.096 10 0 BCAELP C[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052395884 343600825 /nfs/dbraw/zinc/60/08/25/343600825.db2.gz ZAMWLFFLAFCLOY-LLVKDONJSA-N 2 2 248.330 0.338 10 0 BCAELP O=C(NCCc1[nH]cc[nH+]1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768691 344280518 /nfs/dbraw/zinc/28/05/18/344280518.db2.gz UPSMEUVORHUGGZ-GWCFXTLKSA-N 2 2 248.330 0.458 10 0 BCAELP Nc1ccc(N2CC[NH+](C3COC3)CC2)c[nH+]1 ZINC000219964723 344307504 /nfs/dbraw/zinc/30/75/04/344307504.db2.gz JOMBEYAGRYINHF-UHFFFAOYSA-N 2 2 234.303 0.185 10 0 BCAELP CC(C)(C)OC(=O)NCC[NH2+]C[C@H]1CCC[NH2+]1 ZINC000227604333 344583866 /nfs/dbraw/zinc/58/38/66/344583866.db2.gz IAUJZOHDQJAMPU-SNVBAGLBSA-N 2 2 243.351 0.853 10 0 BCAELP CCc1[nH+]c(C)cn1CCc1nc(N)nc(N)[nH+]1 ZINC000033986205 345814667 /nfs/dbraw/zinc/81/46/67/345814667.db2.gz QKCRGKWVRITBFH-UHFFFAOYSA-N 2 2 247.306 0.346 10 0 BCAELP Cc1ccc2c(c1)=C1CCCC[C@@]13C[NH2+]CC[N+]=23 ZINC000575124679 346031778 /nfs/dbraw/zinc/03/17/78/346031778.db2.gz BADBXJBWTOTULX-MRXNPFEDSA-N 2 2 241.358 0.566 10 0 BCAELP CC1CC[NH+](C[C@H]2C[NH2+]C[C@H](C[NH3+])C2)CC1 ZINC000669378958 537972696 /nfs/dbraw/zinc/97/26/96/537972696.db2.gz QJOIWDAKJMTLJP-QWHCGFSZSA-N 3 2 225.380 0.903 10 0 BCAELP [NH3+]C[C@H]1C[NH2+]C[C@@H](C[NH+]2CCCCC2)C1 ZINC000669378982 537974518 /nfs/dbraw/zinc/97/45/18/537974518.db2.gz RHBLLMKHJWMGHP-RYUDHWBXSA-N 3 2 211.353 0.657 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000577396632 365945172 /nfs/dbraw/zinc/94/51/72/365945172.db2.gz WPVUWIWRINECNQ-NXEZZACHSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000577396632 365945174 /nfs/dbraw/zinc/94/51/74/365945174.db2.gz WPVUWIWRINECNQ-NXEZZACHSA-N 2 2 238.339 0.423 10 0 BCAELP C[C@H]1C[NH2+]C[C@]12C[N@H+](CC1CC1)CCC2=O ZINC000725246174 538004749 /nfs/dbraw/zinc/00/47/49/538004749.db2.gz RECVREKVRVPUGT-GWCFXTLKSA-N 2 2 222.332 0.897 10 0 BCAELP C[C@H]1C[NH2+]C[C@]12C[N@@H+](CC1CC1)CCC2=O ZINC000725246174 538004752 /nfs/dbraw/zinc/00/47/52/538004752.db2.gz RECVREKVRVPUGT-GWCFXTLKSA-N 2 2 222.332 0.897 10 0 BCAELP C[NH2+]C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000616576416 349101589 /nfs/dbraw/zinc/10/15/89/349101589.db2.gz USCLRCWAEUSPOI-NSHDSACASA-N 2 2 207.277 0.242 10 0 BCAELP Cc1cc(C)nc(N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000250969448 349181205 /nfs/dbraw/zinc/18/12/05/349181205.db2.gz UMKCPFIGISSONC-LLVKDONJSA-N 2 2 235.335 0.173 10 0 BCAELP Cc1cc(C)nc(N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000250969448 349181206 /nfs/dbraw/zinc/18/12/06/349181206.db2.gz UMKCPFIGISSONC-LLVKDONJSA-N 2 2 235.335 0.173 10 0 BCAELP Cc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000211661772 349279052 /nfs/dbraw/zinc/27/90/52/349279052.db2.gz GNGHMZRXJYDATB-ZJUUUORDSA-N 2 2 204.277 0.583 10 0 BCAELP Nc1ncc(C[N@@H+]2CCC[C@@H]2C[NH3+])s1 ZINC000307505263 323240718 /nfs/dbraw/zinc/24/07/18/323240718.db2.gz KYSIJTXWRUMRMY-SSDOTTSWSA-N 2 2 212.322 0.648 10 0 BCAELP Nc1ncc(C[N@H+]2CCC[C@@H]2C[NH3+])s1 ZINC000307505263 323240723 /nfs/dbraw/zinc/24/07/23/323240723.db2.gz KYSIJTXWRUMRMY-SSDOTTSWSA-N 2 2 212.322 0.648 10 0 BCAELP Cc1[nH+]c(NCC[NH+]2CCOCC2)ccc1N ZINC000036245061 180017975 /nfs/dbraw/zinc/01/79/75/180017975.db2.gz UTVCGXVVVAHCJK-UHFFFAOYSA-N 2 2 236.319 0.716 10 0 BCAELP Cc1[nH]c2ccc(NC(=O)C[NH3+])cc2[nH+]1 ZINC000037041994 180081850 /nfs/dbraw/zinc/08/18/50/180081850.db2.gz IBSFJRTXQOEUFR-UHFFFAOYSA-N 2 2 204.233 0.769 10 0 BCAELP COCC[N@H+](C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304223191 350145083 /nfs/dbraw/zinc/14/50/83/350145083.db2.gz IEVODFXBYGECIT-LLVKDONJSA-N 2 2 232.368 0.561 10 0 BCAELP COCC[N@@H+](C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000304223191 350145084 /nfs/dbraw/zinc/14/50/84/350145084.db2.gz IEVODFXBYGECIT-LLVKDONJSA-N 2 2 232.368 0.561 10 0 BCAELP CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1C[NH3+] ZINC000159449167 350238441 /nfs/dbraw/zinc/23/84/41/350238441.db2.gz AZKGEYCZNWUTNK-QMMMGPOBSA-N 2 2 215.297 0.154 10 0 BCAELP C[C@@H]1CCC[N@H+](CC[C@H]([NH3+])C(N)=O)[C@H]1C ZINC000252151036 538079663 /nfs/dbraw/zinc/07/96/63/538079663.db2.gz MMMJKSAGCWIHOB-UTLUCORTSA-N 2 2 213.325 0.310 10 0 BCAELP C[C@@H]1CCC[N@@H+](CC[C@H]([NH3+])C(N)=O)[C@H]1C ZINC000252151036 538079665 /nfs/dbraw/zinc/07/96/65/538079665.db2.gz MMMJKSAGCWIHOB-UTLUCORTSA-N 2 2 213.325 0.310 10 0 BCAELP C[C@@H]1CCC[N@H+](CC[C@@H]([NH3+])C(N)=O)[C@H]1C ZINC000252151035 538079697 /nfs/dbraw/zinc/07/96/97/538079697.db2.gz MMMJKSAGCWIHOB-KXUCPTDWSA-N 2 2 213.325 0.310 10 0 BCAELP C[C@@H]1CCC[N@@H+](CC[C@@H]([NH3+])C(N)=O)[C@H]1C ZINC000252151035 538079700 /nfs/dbraw/zinc/07/97/00/538079700.db2.gz MMMJKSAGCWIHOB-KXUCPTDWSA-N 2 2 213.325 0.310 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000049330740 180252645 /nfs/dbraw/zinc/25/26/45/180252645.db2.gz KVYXSMUXWCDLTM-NSHDSACASA-N 3 2 208.309 0.615 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[NH3+] ZINC000049330740 180252647 /nfs/dbraw/zinc/25/26/47/180252647.db2.gz KVYXSMUXWCDLTM-NSHDSACASA-N 3 2 208.309 0.615 10 0 BCAELP CN1CC[NH+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264512 538092258 /nfs/dbraw/zinc/09/22/58/538092258.db2.gz SCUYWFLEQLBKLW-VXGBXAGGSA-N 2 2 239.363 0.130 10 0 BCAELP CCc1[nH+]ccn1[C@@H](C)[C@H]([NH3+])C(=O)OC ZINC000710776762 538095909 /nfs/dbraw/zinc/09/59/09/538095909.db2.gz YNBLAKSDWSXXSB-CBAPKCEASA-N 2 2 211.265 0.507 10 0 BCAELP [NH3+]CCN1CCOCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616599013 350700437 /nfs/dbraw/zinc/70/04/37/350700437.db2.gz NYYFWSBQSNNULT-SECBINFHSA-N 2 2 210.281 0.132 10 0 BCAELP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCSC2)CCO1 ZINC000159506329 350814538 /nfs/dbraw/zinc/81/45/38/350814538.db2.gz NLSAGQUQOXIPOZ-RKDXNWHRSA-N 2 2 202.323 0.151 10 0 BCAELP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCSC2)CCO1 ZINC000159506329 350814539 /nfs/dbraw/zinc/81/45/39/350814539.db2.gz NLSAGQUQOXIPOZ-RKDXNWHRSA-N 2 2 202.323 0.151 10 0 BCAELP Nc1ccc([C@H]2COCCC[N@@H+]2CC[NH3+])cc1 ZINC000616599945 350776182 /nfs/dbraw/zinc/77/61/82/350776182.db2.gz TUWNDDCYLIIZDG-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccc([C@H]2COCCC[N@H+]2CC[NH3+])cc1 ZINC000616599945 350776183 /nfs/dbraw/zinc/77/61/83/350776183.db2.gz TUWNDDCYLIIZDG-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccccc2CO)C1 ZINC000616611457 350809401 /nfs/dbraw/zinc/80/94/01/350809401.db2.gz DWOKMKVVSQFWRV-NSHDSACASA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](c2ccccc2CO)C1 ZINC000616611457 350809404 /nfs/dbraw/zinc/80/94/04/350809404.db2.gz DWOKMKVVSQFWRV-NSHDSACASA-N 2 2 220.316 0.927 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616614337 350831894 /nfs/dbraw/zinc/83/18/94/350831894.db2.gz IXRHLBVHVROTDU-CQSZACIVSA-N 2 2 234.343 0.969 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc(CCO)c2)C1 ZINC000616614337 350831896 /nfs/dbraw/zinc/83/18/96/350831896.db2.gz IXRHLBVHVROTDU-CQSZACIVSA-N 2 2 234.343 0.969 10 0 BCAELP [NH3+]CCN1CCCOC[C@H]1c1c[nH+]c[nH]1 ZINC000616644769 351161932 /nfs/dbraw/zinc/16/19/32/351161932.db2.gz HIGVXKMJVVSODH-JTQLQIEISA-N 2 2 210.281 0.132 10 0 BCAELP [NH3+]CCN1CCCOC[C@H]1c1c[nH]c[nH+]1 ZINC000616644769 351161935 /nfs/dbraw/zinc/16/19/35/351161935.db2.gz HIGVXKMJVVSODH-JTQLQIEISA-N 2 2 210.281 0.132 10 0 BCAELP Nc1ccccc1[C@H]1COCCC[N@@H+]1CC[NH3+] ZINC000616644632 351161992 /nfs/dbraw/zinc/16/19/92/351161992.db2.gz AZRKZCKJQJVOEK-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@H]1COCCC[N@H+]1CC[NH3+] ZINC000616644632 351161996 /nfs/dbraw/zinc/16/19/96/351161996.db2.gz AZRKZCKJQJVOEK-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP OCC[N@@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616651947 351189861 /nfs/dbraw/zinc/18/98/61/351189861.db2.gz BRKZYRWCSJAQMN-LLVKDONJSA-N 2 2 209.293 0.902 10 0 BCAELP OCC[N@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616651947 351189863 /nfs/dbraw/zinc/18/98/63/351189863.db2.gz BRKZYRWCSJAQMN-LLVKDONJSA-N 2 2 209.293 0.902 10 0 BCAELP Nc1cccc([C@@H]2CCOCCN2CC[NH3+])[nH+]1 ZINC000616657322 351197963 /nfs/dbraw/zinc/19/79/63/351197963.db2.gz WBAAKJUBADANPH-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP OCC[N@@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666485 351226849 /nfs/dbraw/zinc/22/68/49/351226849.db2.gz UZEPOAJGZQQKLJ-GFCCVEGCSA-N 2 2 237.303 0.534 10 0 BCAELP OCC[N@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666485 351226851 /nfs/dbraw/zinc/22/68/51/351226851.db2.gz UZEPOAJGZQQKLJ-GFCCVEGCSA-N 2 2 237.303 0.534 10 0 BCAELP [NH3+][C@@H]1CC=C(C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000638096990 351977966 /nfs/dbraw/zinc/97/79/66/351977966.db2.gz PPNZFNZJDIJENI-SNVBAGLBSA-N 2 2 232.287 0.273 10 0 BCAELP C[NH+](C)C[C@@H]1COC[C@@H]1[NH+]1CCC(O)CC1 ZINC000725273897 538104994 /nfs/dbraw/zinc/10/49/94/538104994.db2.gz RAWZMNYEDQSYST-PWSUYJOCSA-N 2 2 228.336 0.020 10 0 BCAELP COc1ncccc1C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000037894086 188115086 /nfs/dbraw/zinc/11/50/86/188115086.db2.gz JCIJOXBERUAZLO-LLVKDONJSA-N 2 2 239.319 0.102 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000639012798 353266915 /nfs/dbraw/zinc/26/69/15/353266915.db2.gz FUUWHAWWGUKFIW-JGVFFNPUSA-N 2 2 226.255 0.068 10 0 BCAELP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CCOCO2)C1 ZINC000230647129 353519939 /nfs/dbraw/zinc/51/99/39/353519939.db2.gz UUEWDOWRNVYBTL-NXEZZACHSA-N 2 2 200.282 0.173 10 0 BCAELP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCOCO2)C1 ZINC000230647129 353519940 /nfs/dbraw/zinc/51/99/40/353519940.db2.gz UUEWDOWRNVYBTL-NXEZZACHSA-N 2 2 200.282 0.173 10 0 BCAELP COC(=O)C[N@H+](C[C@H]1CCC[NH2+]C1)C(C)C ZINC000220364728 353837169 /nfs/dbraw/zinc/83/71/69/353837169.db2.gz AWZUUVFIFFZLAI-NSHDSACASA-N 2 2 228.336 0.869 10 0 BCAELP COC(=O)C[N@@H+](C[C@H]1CCC[NH2+]C1)C(C)C ZINC000220364728 353837170 /nfs/dbraw/zinc/83/71/70/353837170.db2.gz AWZUUVFIFFZLAI-NSHDSACASA-N 2 2 228.336 0.869 10 0 BCAELP NC(=[NH2+])c1ccccc1OCC[NH+]1CCOCC1 ZINC000019840798 181196623 /nfs/dbraw/zinc/19/66/23/181196623.db2.gz XBNBWMLFEYKAAU-UHFFFAOYSA-N 2 2 249.314 0.682 10 0 BCAELP C[C@@]([NH3+])(C(=O)c1c[nH+]ccc1N)C1CC1 ZINC000168558007 356418217 /nfs/dbraw/zinc/41/82/17/356418217.db2.gz XCKQQEMLVVHZTE-NSHDSACASA-N 2 2 205.261 0.974 10 0 BCAELP NC(=O)[C@H]([NH3+])CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945214 181276657 /nfs/dbraw/zinc/27/66/57/181276657.db2.gz XJZDAEPPFFPWIY-CYBMUJFWSA-N 2 2 247.342 0.638 10 0 BCAELP NC(=O)[C@H]([NH3+])CC[N@H+]1CCCc2ccccc2C1 ZINC000062945214 181276658 /nfs/dbraw/zinc/27/66/58/181276658.db2.gz XJZDAEPPFFPWIY-CYBMUJFWSA-N 2 2 247.342 0.638 10 0 BCAELP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389423843 356660010 /nfs/dbraw/zinc/66/00/10/356660010.db2.gz WEQDNDKRVCEREX-QWHCGFSZSA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389423843 356660014 /nfs/dbraw/zinc/66/00/14/356660014.db2.gz WEQDNDKRVCEREX-QWHCGFSZSA-N 2 2 244.379 0.848 10 0 BCAELP O[C@@H]1C=C(c2c[nH+]c3n2CCC3)C[NH2+]C1 ZINC000675077731 538513389 /nfs/dbraw/zinc/51/33/89/538513389.db2.gz QXIXQXOUIAPMCI-SECBINFHSA-N 2 2 205.261 0.177 10 0 BCAELP Cn1nc(CC2=C[C@@H]([NH3+])C[NH2+]C2)cc1Cl ZINC000675077685 538513421 /nfs/dbraw/zinc/51/34/21/538513421.db2.gz HFDWQOWFMJECFJ-MRVPVSSYSA-N 2 2 226.711 0.473 10 0 BCAELP Cc1cnc(N)c(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675077653 538513891 /nfs/dbraw/zinc/51/38/91/538513891.db2.gz PQRLXATZVSUIFM-SECBINFHSA-N 2 2 204.277 0.286 10 0 BCAELP CCCn1nccc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077703 538514306 /nfs/dbraw/zinc/51/43/06/538514306.db2.gz HMEITYRBEUWHKR-JTQLQIEISA-N 2 2 206.293 0.607 10 0 BCAELP Cc1ncc(CC2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675078144 538514908 /nfs/dbraw/zinc/51/49/08/538514908.db2.gz MXXUCBRPRFPEPP-VIFPVBQESA-N 2 2 209.318 0.851 10 0 BCAELP COc1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)sn1 ZINC000675078250 538516386 /nfs/dbraw/zinc/51/63/86/538516386.db2.gz ODSINFFWTUABPM-MRVPVSSYSA-N 2 2 225.317 0.551 10 0 BCAELP CC(C)n1nccc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077214 538512897 /nfs/dbraw/zinc/51/28/97/538512897.db2.gz AYGVKXXLRDANJD-SNVBAGLBSA-N 2 2 206.293 0.778 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000393239605 357279530 /nfs/dbraw/zinc/27/95/30/357279530.db2.gz NEQQQFXGFJDVEB-WDEREUQCSA-N 2 2 200.326 0.953 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000393239605 357279531 /nfs/dbraw/zinc/27/95/31/357279531.db2.gz NEQQQFXGFJDVEB-WDEREUQCSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@@H](C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000086068937 357815842 /nfs/dbraw/zinc/81/58/42/357815842.db2.gz VUUXOZMPOLSKIL-SECBINFHSA-N 2 2 222.292 0.081 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000168968132 358001762 /nfs/dbraw/zinc/00/17/62/358001762.db2.gz FMPVVBXVEZRJIF-HRDYMLBCSA-N 2 2 200.282 0.360 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000168968132 358001764 /nfs/dbraw/zinc/00/17/64/358001764.db2.gz FMPVVBXVEZRJIF-HRDYMLBCSA-N 2 2 200.282 0.360 10 0 BCAELP C[N@@H+]1CCN(c2ncc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000227178447 358350765 /nfs/dbraw/zinc/35/07/65/358350765.db2.gz NMTMEMYOUITKKV-VIFPVBQESA-N 2 2 241.726 0.209 10 0 BCAELP C[N@H+]1CCN(c2ncc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000227178447 358350767 /nfs/dbraw/zinc/35/07/67/358350767.db2.gz NMTMEMYOUITKKV-VIFPVBQESA-N 2 2 241.726 0.209 10 0 BCAELP Cn1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231457890 358419703 /nfs/dbraw/zinc/41/97/03/358419703.db2.gz HOQBRHVLEPQUAP-GFCCVEGCSA-N 2 2 222.336 0.994 10 0 BCAELP Cn1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231457890 358419704 /nfs/dbraw/zinc/41/97/04/358419704.db2.gz HOQBRHVLEPQUAP-GFCCVEGCSA-N 2 2 222.336 0.994 10 0 BCAELP Cn1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231457928 358419713 /nfs/dbraw/zinc/41/97/13/358419713.db2.gz HOQBRHVLEPQUAP-LBPRGKRZSA-N 2 2 222.336 0.994 10 0 BCAELP Cn1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231457928 358419715 /nfs/dbraw/zinc/41/97/15/358419715.db2.gz HOQBRHVLEPQUAP-LBPRGKRZSA-N 2 2 222.336 0.994 10 0 BCAELP [NH3+]CC[NH+]1CCC(C2OCCO2)CC1 ZINC000306158809 358952477 /nfs/dbraw/zinc/95/24/77/358952477.db2.gz AKFUBBHPSILYLF-UHFFFAOYSA-N 2 2 200.282 0.030 10 0 BCAELP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CC[S@](C)=O ZINC000306560118 360434908 /nfs/dbraw/zinc/43/49/08/360434908.db2.gz BANZJAVARPMESG-KKFJDGPESA-N 2 2 204.339 0.177 10 0 BCAELP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CC[S@](C)=O ZINC000306560118 360434913 /nfs/dbraw/zinc/43/49/13/360434913.db2.gz BANZJAVARPMESG-KKFJDGPESA-N 2 2 204.339 0.177 10 0 BCAELP COCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630358612 364079877 /nfs/dbraw/zinc/07/98/77/364079877.db2.gz AYBQQCNJDPWPOI-ZJUUUORDSA-N 2 2 202.298 0.071 10 0 BCAELP COCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630358612 364079879 /nfs/dbraw/zinc/07/98/79/364079879.db2.gz AYBQQCNJDPWPOI-ZJUUUORDSA-N 2 2 202.298 0.071 10 0 BCAELP CC[C@@]([NH3+])(CCCn1cc[nH+]c1)C(N)=O ZINC000725256039 541332756 /nfs/dbraw/zinc/33/27/56/541332756.db2.gz QJIRHDSZJRAXSN-SNVBAGLBSA-N 2 2 210.281 0.256 10 0 BCAELP COc1ccc[nH+]c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000630514106 364199140 /nfs/dbraw/zinc/19/91/40/364199140.db2.gz VDEKPCMKGBSPJE-BDAKNGLRSA-N 2 2 223.276 0.082 10 0 BCAELP CN(CCOCC[NH3+])c1[nH]c2ccccc2[nH+]1 ZINC000630539606 364234258 /nfs/dbraw/zinc/23/42/58/364234258.db2.gz UOMUBXJHYIUSRU-UHFFFAOYSA-N 2 2 234.303 0.974 10 0 BCAELP Cc1c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cnn1C ZINC000398955998 364278978 /nfs/dbraw/zinc/27/89/78/364278978.db2.gz IEWIYHHZEUEJKX-JOYOIKCWSA-N 2 2 222.336 0.959 10 0 BCAELP [NH3+]CCC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037045768 181368706 /nfs/dbraw/zinc/36/87/06/181368706.db2.gz CQFBBYHOWJVWFK-VHSXEESVSA-N 2 2 222.292 0.442 10 0 BCAELP [NH3+]CCC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000035688496 181383390 /nfs/dbraw/zinc/38/33/90/181383390.db2.gz GMYBPFRHMQFCCR-SNVBAGLBSA-N 2 2 240.328 0.453 10 0 BCAELP [NH3+]CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000037133165 181393438 /nfs/dbraw/zinc/39/34/38/181393438.db2.gz IGXOXJVEUVXEIN-WDEREUQCSA-N 2 2 233.315 0.226 10 0 BCAELP [NH3+]CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000037133165 181393441 /nfs/dbraw/zinc/39/34/41/181393441.db2.gz IGXOXJVEUVXEIN-WDEREUQCSA-N 2 2 233.315 0.226 10 0 BCAELP C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492995 367981476 /nfs/dbraw/zinc/98/14/76/367981476.db2.gz URLAFSQEUDZZST-YNEHKIRRSA-N 2 2 241.379 0.437 10 0 BCAELP Cc1cnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000386665959 368007207 /nfs/dbraw/zinc/00/72/07/368007207.db2.gz NDRAYMIOMCHIKB-LLVKDONJSA-N 2 2 235.335 0.173 10 0 BCAELP Cc1cnc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc1C ZINC000386665959 368007214 /nfs/dbraw/zinc/00/72/14/368007214.db2.gz NDRAYMIOMCHIKB-LLVKDONJSA-N 2 2 235.335 0.173 10 0 BCAELP C[C@H](C[S@@](C)=O)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950332 368170516 /nfs/dbraw/zinc/17/05/16/368170516.db2.gz OPDQXOUTJIWJFI-GPCCPHFNSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@H](C[S@@](C)=O)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950332 368170523 /nfs/dbraw/zinc/17/05/23/368170523.db2.gz OPDQXOUTJIWJFI-GPCCPHFNSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000631836998 369091846 /nfs/dbraw/zinc/09/18/46/369091846.db2.gz LINQNLLGQDHIJF-RYUDHWBXSA-N 3 2 236.363 0.879 10 0 BCAELP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC000631836998 369091849 /nfs/dbraw/zinc/09/18/49/369091849.db2.gz LINQNLLGQDHIJF-RYUDHWBXSA-N 3 2 236.363 0.879 10 0 BCAELP C[C@@H](CO)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578637 369094644 /nfs/dbraw/zinc/09/46/44/369094644.db2.gz PAMZZMWPSWLFCZ-GXSJLCMTSA-N 2 2 210.321 0.584 10 0 BCAELP CC(C)[N@H+](C)[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225505613 370958085 /nfs/dbraw/zinc/95/80/85/370958085.db2.gz LXFHXDAPJNBMGD-ONGXEEELSA-N 2 2 213.325 0.452 10 0 BCAELP CC(C)[N@@H+](C)[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225505613 370958091 /nfs/dbraw/zinc/95/80/91/370958091.db2.gz LXFHXDAPJNBMGD-ONGXEEELSA-N 2 2 213.325 0.452 10 0 BCAELP C[C@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000631841754 372639098 /nfs/dbraw/zinc/63/90/98/372639098.db2.gz PGHZMSXDDCVPMR-DTWKUNHWSA-N 2 2 236.323 0.035 10 0 BCAELP C[C@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000631841754 372639104 /nfs/dbraw/zinc/63/91/04/372639104.db2.gz PGHZMSXDDCVPMR-DTWKUNHWSA-N 2 2 236.323 0.035 10 0 BCAELP O[C@H](CNCc1[nH]cc[nH+]1)C[NH+]1CCCCC1 ZINC000171378842 183225253 /nfs/dbraw/zinc/22/52/53/183225253.db2.gz RMHDKPPLVAQGQT-LLVKDONJSA-N 2 2 238.335 0.346 10 0 BCAELP Oc1ccc[n+](CC[n+]2cccc(O)c2)c1 ZINC000005427773 183286417 /nfs/dbraw/zinc/28/64/17/183286417.db2.gz ISLYCTJXYSPFCQ-UHFFFAOYSA-P 2 2 218.256 0.373 10 0 BCAELP CCCN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C ZINC000090166876 169183149 /nfs/dbraw/zinc/18/31/49/169183149.db2.gz KYQPKRFMRALAID-BXKDBHETSA-N 2 2 236.319 0.821 10 0 BCAELP CCCNC(=O)CC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000045072465 169218031 /nfs/dbraw/zinc/21/80/31/169218031.db2.gz VQLJXAWMTNWTGN-LBPRGKRZSA-N 2 2 239.363 0.587 10 0 BCAELP c1ccc(C[N@@H+]2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC000059042361 183398179 /nfs/dbraw/zinc/39/81/79/183398179.db2.gz BDJDGOJLRMBDOS-CQSZACIVSA-N 2 2 231.343 0.776 10 0 BCAELP c1ccc(C[N@H+]2CCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC000059042361 183398181 /nfs/dbraw/zinc/39/81/81/183398181.db2.gz BDJDGOJLRMBDOS-CQSZACIVSA-N 2 2 231.343 0.776 10 0 BCAELP C[NH2+][C@H]1CCC2(C[C@@H]1[NH+](C)C)OCCO2 ZINC000043815909 383866621 /nfs/dbraw/zinc/86/66/21/383866621.db2.gz VVVLYOVSAAKPCH-UWVGGRQHSA-N 2 2 214.309 0.432 10 0 BCAELP C[NH2+][C@H]1CCC2(C[C@H]1[NH+](C)C)OCCO2 ZINC000043815912 383866926 /nfs/dbraw/zinc/86/69/26/383866926.db2.gz VVVLYOVSAAKPCH-VHSXEESVSA-N 2 2 214.309 0.432 10 0 BCAELP COc1ccc[nH+]c1N(C)CCOCC[NH3+] ZINC000301048897 383876866 /nfs/dbraw/zinc/87/68/66/383876866.db2.gz QZPYLRAPRCMRLZ-UHFFFAOYSA-N 2 2 225.292 0.502 10 0 BCAELP Cn1cc[nH+]c1N1CC[NH+](CC(C)(C)O)CC1 ZINC000071382150 384166516 /nfs/dbraw/zinc/16/65/16/384166516.db2.gz YURBTILMXCPQKP-UHFFFAOYSA-N 2 2 238.335 0.313 10 0 BCAELP COc1nccnc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000095071609 384341142 /nfs/dbraw/zinc/34/11/42/384341142.db2.gz BVNDKBKHCXWOLH-SNVBAGLBSA-N 2 2 236.319 0.656 10 0 BCAELP COc1nccnc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000095071609 384341147 /nfs/dbraw/zinc/34/11/47/384341147.db2.gz BVNDKBKHCXWOLH-SNVBAGLBSA-N 2 2 236.319 0.656 10 0 BCAELP [NH3+]C[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000044530308 384341610 /nfs/dbraw/zinc/34/16/10/384341610.db2.gz SKAPQXUWXDBEIE-SNVBAGLBSA-N 2 2 206.293 0.647 10 0 BCAELP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000044530308 384341621 /nfs/dbraw/zinc/34/16/21/384341621.db2.gz SKAPQXUWXDBEIE-SNVBAGLBSA-N 2 2 206.293 0.647 10 0 BCAELP O=C(C[NH2+]C[C@H]1CC[NH2+]C1)c1ccco1 ZINC000095072806 384344779 /nfs/dbraw/zinc/34/47/79/384344779.db2.gz BNFFGNAARZGKOZ-VIFPVBQESA-N 2 2 208.261 0.661 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335589004 384350086 /nfs/dbraw/zinc/35/00/86/384350086.db2.gz KFADBFZWVGCJNT-ZYHUDNBSSA-N 2 2 223.320 0.894 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000335589004 384350090 /nfs/dbraw/zinc/35/00/90/384350090.db2.gz KFADBFZWVGCJNT-ZYHUDNBSSA-N 2 2 223.320 0.894 10 0 BCAELP c1cnc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000095092654 384363096 /nfs/dbraw/zinc/36/30/96/384363096.db2.gz IGKBBMVBHLWLHT-JTQLQIEISA-N 2 2 206.293 0.566 10 0 BCAELP [NH3+][C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000258942787 384950312 /nfs/dbraw/zinc/95/03/12/384950312.db2.gz KWPZHDXUHAVEIP-QMMMGPOBSA-N 2 2 219.292 0.588 10 0 BCAELP COC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090441 384937658 /nfs/dbraw/zinc/93/76/58/384937658.db2.gz RHASOSXRYXKRQE-RKDXNWHRSA-N 2 2 209.293 0.892 10 0 BCAELP COC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090441 384937666 /nfs/dbraw/zinc/93/76/66/384937666.db2.gz RHASOSXRYXKRQE-RKDXNWHRSA-N 2 2 209.293 0.892 10 0 BCAELP COC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090440 384938175 /nfs/dbraw/zinc/93/81/75/384938175.db2.gz RHASOSXRYXKRQE-IUCAKERBSA-N 2 2 209.293 0.892 10 0 BCAELP COC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090440 384938183 /nfs/dbraw/zinc/93/81/83/384938183.db2.gz RHASOSXRYXKRQE-IUCAKERBSA-N 2 2 209.293 0.892 10 0 BCAELP CC[S@@](=O)CC[NH+]1CCC([NH3+])CC1 ZINC000058827252 385027788 /nfs/dbraw/zinc/02/77/88/385027788.db2.gz ZVMZEUJUVXSUQO-ZDUSSCGKSA-N 2 2 204.339 0.178 10 0 BCAELP c1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)n[nH]1 ZINC000377523893 385096044 /nfs/dbraw/zinc/09/60/44/385096044.db2.gz MLBUUXYZLZJNSY-SNVBAGLBSA-N 2 2 217.276 0.711 10 0 BCAELP CCC[C@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+](C)C ZINC000179267429 385455825 /nfs/dbraw/zinc/45/58/25/385455825.db2.gz UJAQNDMIBNEVQH-SNVBAGLBSA-N 2 2 238.335 0.799 10 0 BCAELP C[C@H]([NH3+])C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000211278054 385678429 /nfs/dbraw/zinc/67/84/29/385678429.db2.gz OIFHBCFJMGXTFY-GXSJLCMTSA-N 2 2 222.288 0.794 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(N)=O ZINC000309609802 385739566 /nfs/dbraw/zinc/73/95/66/385739566.db2.gz ZPOOUILTTQZKRR-DTWKUNHWSA-N 2 2 222.292 0.224 10 0 BCAELP Cc1cc(NC2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000585554939 385875256 /nfs/dbraw/zinc/87/52/56/385875256.db2.gz LDENWYARJUSARN-UHFFFAOYSA-N 2 2 236.319 0.654 10 0 BCAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254753 386508105 /nfs/dbraw/zinc/50/81/05/386508105.db2.gz CTVWTCINZUDBMM-MWLCHTKSSA-N 2 2 236.319 0.599 10 0 BCAELP C[C@]1(CN2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000062912545 386532965 /nfs/dbraw/zinc/53/29/65/386532965.db2.gz RBGGYAXSXZPNHP-LBPRGKRZSA-N 2 2 220.320 0.698 10 0 BCAELP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000645685075 387267491 /nfs/dbraw/zinc/26/74/91/387267491.db2.gz SNQJRGLJHWYQHG-BDAKNGLRSA-N 2 2 247.289 0.194 10 0 BCAELP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000645685075 387267495 /nfs/dbraw/zinc/26/74/95/387267495.db2.gz SNQJRGLJHWYQHG-BDAKNGLRSA-N 2 2 247.289 0.194 10 0 BCAELP NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515731 387922650 /nfs/dbraw/zinc/92/26/50/387922650.db2.gz KBDQMPDRDJMLLE-JTQLQIEISA-N 2 2 234.303 0.301 10 0 BCAELP NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515731 387922652 /nfs/dbraw/zinc/92/26/52/387922652.db2.gz KBDQMPDRDJMLLE-JTQLQIEISA-N 2 2 234.303 0.301 10 0 BCAELP COC[C@@]1(C(=O)Nc2cc[nH+]c(C)c2)CCC[NH2+]1 ZINC000649279633 388507026 /nfs/dbraw/zinc/50/70/26/388507026.db2.gz FRRVZCMMZXRSCO-CYBMUJFWSA-N 2 2 249.314 0.519 10 0 BCAELP CC(C)S(=O)(=O)CC[NH2+]CC1([NH3+])CCC1 ZINC000261547124 135239850 /nfs/dbraw/zinc/23/98/50/135239850.db2.gz LWLAEIAPCNOIPV-UHFFFAOYSA-N 2 2 234.365 0.281 10 0 BCAELP COc1c(N)[nH+]cnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250280283 388787185 /nfs/dbraw/zinc/78/71/85/388787185.db2.gz JBOQQQLXJJUJFB-VIFPVBQESA-N 2 2 249.318 0.352 10 0 BCAELP COc1c(N)[nH+]cnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000250280283 388787186 /nfs/dbraw/zinc/78/71/86/388787186.db2.gz JBOQQQLXJJUJFB-VIFPVBQESA-N 2 2 249.318 0.352 10 0 BCAELP Cc1[nH+]c(N2CC[NH+](C)CC2)nc(N)c1C ZINC000050847379 132359578 /nfs/dbraw/zinc/35/95/78/132359578.db2.gz LKPBLMLNCRDGTP-UHFFFAOYSA-N 2 2 221.308 0.427 10 0 BCAELP Cc1[nH+]c(N2CC[NH+](CCO)CC2)ccc1N ZINC000036250980 132341645 /nfs/dbraw/zinc/34/16/45/132341645.db2.gz SACCYMORPMBZFY-UHFFFAOYSA-N 2 2 236.319 0.087 10 0 BCAELP Cc1cc[nH+]c(N2CCN(CC[NH3+])CC2)c1 ZINC000043561287 132353346 /nfs/dbraw/zinc/35/33/46/132353346.db2.gz WCRZRMVBDPUGRW-UHFFFAOYSA-N 2 2 220.320 0.471 10 0 BCAELP C[C@H](CC(N)=[NH2+])[NH+]1CCN(c2ncccn2)CC1 ZINC000048249776 132355331 /nfs/dbraw/zinc/35/53/31/132355331.db2.gz XNSAGBJOJDQVRD-SNVBAGLBSA-N 2 2 248.334 0.313 10 0 BCAELP C[C@H]1CN(c2cc[nH+]c(C[NH3+])c2)CCO1 ZINC000051396232 132360199 /nfs/dbraw/zinc/36/01/99/132360199.db2.gz KDTYURSBXBGNJK-VIFPVBQESA-N 2 2 207.277 0.765 10 0 BCAELP C[C@@H]1COCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396851 132360474 /nfs/dbraw/zinc/36/04/74/132360474.db2.gz GTXHDVHCASQBQR-SECBINFHSA-N 2 2 207.277 0.765 10 0 BCAELP Cc1cc[nH+]c(N2CCN([C@@H](C)C[NH3+])CC2)c1 ZINC000058022116 132367925 /nfs/dbraw/zinc/36/79/25/132367925.db2.gz KTVPMCUYWPRWIY-LBPRGKRZSA-N 2 2 234.347 0.859 10 0 BCAELP [NH3+]Cc1nccnc1N1CCn2cc[nH+]c2C1 ZINC000062245241 132387697 /nfs/dbraw/zinc/38/76/97/132387697.db2.gz AQOJVJWWWQPJGP-UHFFFAOYSA-N 2 2 230.275 0.152 10 0 BCAELP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334683756 133720989 /nfs/dbraw/zinc/72/09/89/133720989.db2.gz ISTMSOKSCJISBF-QWRGUYRKSA-N 2 2 248.330 0.613 10 0 BCAELP O=C1CC[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000168569936 134227152 /nfs/dbraw/zinc/22/71/52/134227152.db2.gz SAGZMRAWSUIKFV-NWDGAFQWSA-N 2 2 237.347 0.293 10 0 BCAELP O=C1CC[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCN12 ZINC000168569936 134227153 /nfs/dbraw/zinc/22/71/53/134227153.db2.gz SAGZMRAWSUIKFV-NWDGAFQWSA-N 2 2 237.347 0.293 10 0 BCAELP CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168803805 134247083 /nfs/dbraw/zinc/24/70/83/134247083.db2.gz BEAYPSOBSHPLLV-SNVBAGLBSA-N 2 2 213.325 0.149 10 0 BCAELP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168803805 134247084 /nfs/dbraw/zinc/24/70/84/134247084.db2.gz BEAYPSOBSHPLLV-SNVBAGLBSA-N 2 2 213.325 0.149 10 0 BCAELP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261583545 135109696 /nfs/dbraw/zinc/10/96/96/135109696.db2.gz PCWQDMPOHSKHAD-HQJQHLMTSA-N 2 2 208.309 0.806 10 0 BCAELP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261583545 135109698 /nfs/dbraw/zinc/10/96/98/135109698.db2.gz PCWQDMPOHSKHAD-HQJQHLMTSA-N 2 2 208.309 0.806 10 0 BCAELP CC(C)n1cc[nH+]c1CN1CC[NH2+]CC1 ZINC000257966339 135131989 /nfs/dbraw/zinc/13/19/89/135131989.db2.gz ZHPHOYLHYUFVAO-UHFFFAOYSA-N 2 2 208.309 0.869 10 0 BCAELP Cc1cc[nH+]c(N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000257691231 135139133 /nfs/dbraw/zinc/13/91/33/135139133.db2.gz JFJZAFPGWVPGDR-CYBMUJFWSA-N 2 2 246.358 0.874 10 0 BCAELP Cc1cnn(CC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261531965 135161852 /nfs/dbraw/zinc/16/18/52/135161852.db2.gz INLKACOPJAKYSU-QWRGUYRKSA-N 2 2 208.309 0.471 10 0 BCAELP Cc1cnn(CC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000261531965 135161853 /nfs/dbraw/zinc/16/18/53/135161853.db2.gz INLKACOPJAKYSU-QWRGUYRKSA-N 2 2 208.309 0.471 10 0 BCAELP C[C@@H]1CCCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261537643 135174285 /nfs/dbraw/zinc/17/42/85/135174285.db2.gz VYJNLJYEFMPGMI-MRVPVSSYSA-N 2 2 210.281 0.903 10 0 BCAELP C[C@@H]1CCCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261537643 135174286 /nfs/dbraw/zinc/17/42/86/135174286.db2.gz VYJNLJYEFMPGMI-MRVPVSSYSA-N 2 2 210.281 0.903 10 0 BCAELP C[C@@H]1C[C@H](C)[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261538610 135176703 /nfs/dbraw/zinc/17/67/03/135176703.db2.gz YSJWKKYGLFEVPI-SFYZADRCSA-N 2 2 210.281 0.759 10 0 BCAELP C[C@@H]1C[C@H](C)[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261538610 135176704 /nfs/dbraw/zinc/17/67/04/135176704.db2.gz YSJWKKYGLFEVPI-SFYZADRCSA-N 2 2 210.281 0.759 10 0 BCAELP CC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261540118 135179488 /nfs/dbraw/zinc/17/94/88/135179488.db2.gz DPHBFXOZCAVZOD-RYUDHWBXSA-N 2 2 241.379 0.975 10 0 BCAELP CC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261540118 135179490 /nfs/dbraw/zinc/17/94/90/135179490.db2.gz DPHBFXOZCAVZOD-RYUDHWBXSA-N 2 2 241.379 0.975 10 0 BCAELP Cc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000261571749 135214390 /nfs/dbraw/zinc/21/43/90/135214390.db2.gz HUTAGUYJDSHVNS-GARJFASQSA-N 2 2 218.304 0.959 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261582336 135223025 /nfs/dbraw/zinc/22/30/25/135223025.db2.gz OEXSQRKEZUDSFQ-XWLWVQCSSA-N 2 2 226.320 0.607 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261582336 135223026 /nfs/dbraw/zinc/22/30/26/135223026.db2.gz OEXSQRKEZUDSFQ-XWLWVQCSSA-N 2 2 226.320 0.607 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261582335 135223167 /nfs/dbraw/zinc/22/31/67/135223167.db2.gz OEXSQRKEZUDSFQ-UKKRHICBSA-N 2 2 226.320 0.607 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261582335 135223168 /nfs/dbraw/zinc/22/31/68/135223168.db2.gz OEXSQRKEZUDSFQ-UKKRHICBSA-N 2 2 226.320 0.607 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261582333 135223703 /nfs/dbraw/zinc/22/37/03/135223703.db2.gz OEXSQRKEZUDSFQ-MMWGEVLESA-N 2 2 226.320 0.607 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261582333 135223705 /nfs/dbraw/zinc/22/37/05/135223705.db2.gz OEXSQRKEZUDSFQ-MMWGEVLESA-N 2 2 226.320 0.607 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC000261589366 135229959 /nfs/dbraw/zinc/22/99/59/135229959.db2.gz TWHVJNCWXPWOEH-JTQLQIEISA-N 2 2 211.309 0.032 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC000261589366 135229961 /nfs/dbraw/zinc/22/99/61/135229961.db2.gz TWHVJNCWXPWOEH-JTQLQIEISA-N 2 2 211.309 0.032 10 0 BCAELP Cc1noc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261591139 135231980 /nfs/dbraw/zinc/23/19/80/135231980.db2.gz VCABHQFCMPJOLT-AEJSXWLSSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1noc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261591139 135231981 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CC[N@H+]1C[C@H]([NH2+][C@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000336677221 170036552 /nfs/dbraw/zinc/03/65/52/170036552.db2.gz BLSMNUYOICGZGK-AXFHLTTASA-N 2 2 227.352 0.441 10 0 BCAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000336677221 170036553 /nfs/dbraw/zinc/03/65/53/170036553.db2.gz BLSMNUYOICGZGK-AXFHLTTASA-N 2 2 227.352 0.441 10 0 BCAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000336677224 170037305 /nfs/dbraw/zinc/03/73/05/170037305.db2.gz BLSMNUYOICGZGK-DCAQKATOSA-N 2 2 227.352 0.441 10 0 BCAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CC(=O)NC)[C@@H](C)C1 ZINC000336677224 170037306 /nfs/dbraw/zinc/03/73/06/170037306.db2.gz BLSMNUYOICGZGK-DCAQKATOSA-N 2 2 227.352 0.441 10 0 BCAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCO)C1 ZINC000308537434 170038908 /nfs/dbraw/zinc/03/89/08/170038908.db2.gz SVYQIANPFADAAU-GARJFASQSA-N 2 2 200.326 0.687 10 0 BCAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCO)C1 ZINC000308537434 170038909 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411929627 /nfs/dbraw/zinc/92/96/27/411929627.db2.gz NSNQWEAMPOEXAR-JTQLQIEISA-N 2 2 248.330 0.573 10 0 BCAELP C[C@H]1C[N@H+](C2COC2)CCN1c1ccc(N)[nH+]c1 ZINC000584628394 411929637 /nfs/dbraw/zinc/92/96/37/411929637.db2.gz NSNQWEAMPOEXAR-JTQLQIEISA-N 2 2 248.330 0.573 10 0 BCAELP Nc1cc([C@H]2CCC[N@H+](CCO)C2)cc[nH+]1 ZINC000616618484 411949683 /nfs/dbraw/zinc/94/96/83/411949683.db2.gz WUVPARZDJPODQK-NSHDSACASA-N 2 2 221.304 0.836 10 0 BCAELP Nc1cc([C@H]2CCC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616618484 411949690 /nfs/dbraw/zinc/94/96/90/411949690.db2.gz WUVPARZDJPODQK-NSHDSACASA-N 2 2 221.304 0.836 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616630869 412299367 /nfs/dbraw/zinc/29/93/67/412299367.db2.gz VPVPVISZMWUTCS-SNVBAGLBSA-N 2 2 223.324 0.635 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@@H](Nc2cc[nH]n2)C1 ZINC000616630869 412299369 /nfs/dbraw/zinc/29/93/69/412299369.db2.gz VPVPVISZMWUTCS-SNVBAGLBSA-N 2 2 223.324 0.635 10 0 BCAELP CCc1[nH+]c2ccccc2n1C[C@H]([NH3+])C(N)=O ZINC000062808057 172014372 /nfs/dbraw/zinc/01/43/72/172014372.db2.gz AKQSGVBAAIIPJM-QMMMGPOBSA-N 2 2 232.287 0.411 10 0 BCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000105896459 172029593 /nfs/dbraw/zinc/02/95/93/172029593.db2.gz OEDAOLKKGPMTOS-SNVBAGLBSA-N 2 2 236.319 0.568 10 0 BCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000105896459 172029594 /nfs/dbraw/zinc/02/95/94/172029594.db2.gz OEDAOLKKGPMTOS-SNVBAGLBSA-N 2 2 236.319 0.568 10 0 BCAELP CN1CCC[N@H+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052424209 173016960 /nfs/dbraw/zinc/01/69/60/173016960.db2.gz XSKYMWXBYSQDTL-UHFFFAOYSA-N 2 2 223.320 0.876 10 0 BCAELP CN1CCC[N@@H+](Cc2ccc(C[NH3+])o2)CC1 ZINC000052424209 173016961 /nfs/dbraw/zinc/01/69/61/173016961.db2.gz XSKYMWXBYSQDTL-UHFFFAOYSA-N 2 2 223.320 0.876 10 0 BCAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000226019663 173033489 /nfs/dbraw/zinc/03/34/89/173033489.db2.gz UIQCQBLUOFPBPS-HTAVTVPLSA-N 3 2 211.353 0.940 10 0 BCAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000226019663 173033490 /nfs/dbraw/zinc/03/34/90/173033490.db2.gz UIQCQBLUOFPBPS-HTAVTVPLSA-N 3 2 211.353 0.940 10 0 BCAELP C[NH+]1CCN(C(=O)C[NH2+]CC2CCCC2)CC1 ZINC000037258505 173067430 /nfs/dbraw/zinc/06/74/30/173067430.db2.gz AABRKIYXDKWRRZ-UHFFFAOYSA-N 2 2 239.363 0.540 10 0 BCAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000096986186 173120588 /nfs/dbraw/zinc/12/05/88/173120588.db2.gz WAFAMYZWUZONFY-ZJUUUORDSA-N 2 2 243.351 0.933 10 0 BCAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1CNC(=O)OC(C)(C)C ZINC000096986186 173120589 /nfs/dbraw/zinc/12/05/89/173120589.db2.gz WAFAMYZWUZONFY-ZJUUUORDSA-N 2 2 243.351 0.933 10 0 BCAELP CN1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000061989431 173123292 /nfs/dbraw/zinc/12/32/92/173123292.db2.gz ACPHDTXZPHKBAW-SNVBAGLBSA-N 2 2 208.309 0.256 10 0 BCAELP CNC(=O)C1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC000042317527 173223869 /nfs/dbraw/zinc/22/38/69/173223869.db2.gz CMEIDKVTTLLHPP-NSHDSACASA-N 2 2 225.336 0.196 10 0 BCAELP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063139738 173301664 /nfs/dbraw/zinc/30/16/64/173301664.db2.gz BNUSRSYGXHTMDH-NWDGAFQWSA-N 2 2 241.379 0.831 10 0 BCAELP CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063139738 173301665 /nfs/dbraw/zinc/30/16/65/173301665.db2.gz BNUSRSYGXHTMDH-NWDGAFQWSA-N 2 2 241.379 0.831 10 0 BCAELP C[NH2+]CC[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000062324992 173358432 /nfs/dbraw/zinc/35/84/32/173358432.db2.gz WHLULWCICNLKLJ-JTQLQIEISA-N 2 2 208.309 0.697 10 0 BCAELP C[NH2+]Cc1cc(C[N@@H+]2CCCOCC2)on1 ZINC000061935796 173387616 /nfs/dbraw/zinc/38/76/16/173387616.db2.gz QJHUZICEYRDBOV-UHFFFAOYSA-N 2 2 225.292 0.616 10 0 BCAELP C[NH2+]Cc1cc(C[N@H+]2CCCOCC2)on1 ZINC000061935796 173387617 /nfs/dbraw/zinc/38/76/17/173387617.db2.gz QJHUZICEYRDBOV-UHFFFAOYSA-N 2 2 225.292 0.616 10 0 BCAELP COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](C)C[NH3+] ZINC000082433095 173812578 /nfs/dbraw/zinc/81/25/78/173812578.db2.gz LSBDIRXXWYARLU-DTWKUNHWSA-N 2 2 200.282 0.219 10 0 BCAELP COC(=O)[C@H]1CCC[N@H+]1C[C@@H](C)C[NH3+] ZINC000082433095 173812579 /nfs/dbraw/zinc/81/25/79/173812579.db2.gz LSBDIRXXWYARLU-DTWKUNHWSA-N 2 2 200.282 0.219 10 0 BCAELP COCC[N@H+](C[C@H](C)[NH3+])[C@@H](C)COC ZINC000042607136 174297778 /nfs/dbraw/zinc/29/77/78/174297778.db2.gz ZKKUIKUELBBYKY-UWVGGRQHSA-N 2 2 204.314 0.317 10 0 BCAELP COCC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)COC ZINC000042607136 174297779 /nfs/dbraw/zinc/29/77/79/174297779.db2.gz ZKKUIKUELBBYKY-UWVGGRQHSA-N 2 2 204.314 0.317 10 0 BCAELP COCCNc1cc(N2CC[C@H]([NH3+])C2)nc[nH+]1 ZINC000057330552 174341150 /nfs/dbraw/zinc/34/11/50/174341150.db2.gz XZMPGUWEMYXVQX-VIFPVBQESA-N 2 2 237.307 0.072 10 0 BCAELP COc1ccc([C@H]([NH3+])C[NH3+])c(OC)c1OC ZINC000035677094 175191957 /nfs/dbraw/zinc/19/19/57/175191957.db2.gz XBFOEHUKVHSZLP-MRVPVSSYSA-N 2 2 226.276 0.671 10 0 BCAELP COc1ccccc1OC[C@@H](C[NH3+])[NH+](C)C ZINC000020400012 175341470 /nfs/dbraw/zinc/34/14/70/175341470.db2.gz WAQJLOSGYDFJSN-SNVBAGLBSA-N 2 2 224.304 0.963 10 0 BCAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000037910362 177111839 /nfs/dbraw/zinc/11/18/39/177111839.db2.gz GBTVOZHQAWMKGD-ONGXEEELSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@H]1CC[NH+](CCS(C)(=O)=O)CC[C@H](C)[NH2+]1 ZINC000049662696 177160933 /nfs/dbraw/zinc/16/09/33/177160933.db2.gz JBPRSHFAKYABCO-QWRGUYRKSA-N 2 2 248.392 0.493 10 0 BCAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000040717289 177170115 /nfs/dbraw/zinc/17/01/15/177170115.db2.gz BIUHEGHKIKGFFE-ONGXEEELSA-N 2 2 208.309 0.762 10 0 BCAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000040717289 177170116 /nfs/dbraw/zinc/17/01/16/177170116.db2.gz BIUHEGHKIKGFFE-ONGXEEELSA-N 2 2 208.309 0.762 10 0 BCAELP C[C@H]1C[N@H+](CCc2cccnc2)C[C@@H]1[NH3+] ZINC000235649832 177256010 /nfs/dbraw/zinc/25/60/10/177256010.db2.gz FTQSGMDAIISNIO-JQWIXIFHSA-N 2 2 205.305 0.903 10 0 BCAELP C[C@H]1C[N@@H+](CCc2cccnc2)C[C@@H]1[NH3+] ZINC000235649832 177256011 /nfs/dbraw/zinc/25/60/11/177256011.db2.gz FTQSGMDAIISNIO-JQWIXIFHSA-N 2 2 205.305 0.903 10 0 BCAELP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235645541 177262530 /nfs/dbraw/zinc/26/25/30/177262530.db2.gz WQPJNAYVUIDYOD-CABZTGNLSA-N 2 2 233.315 0.565 10 0 BCAELP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235645541 177262531 /nfs/dbraw/zinc/26/25/31/177262531.db2.gz WQPJNAYVUIDYOD-CABZTGNLSA-N 2 2 233.315 0.565 10 0 BCAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCS(=O)(=O)CC1 ZINC000049711453 177364055 /nfs/dbraw/zinc/36/40/55/177364055.db2.gz AWEIOIXWDJUYEE-VHSXEESVSA-N 2 2 246.376 0.375 10 0 BCAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1CCS(=O)(=O)CC1 ZINC000049711453 177364057 /nfs/dbraw/zinc/36/40/57/177364057.db2.gz AWEIOIXWDJUYEE-VHSXEESVSA-N 2 2 246.376 0.375 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089463199 487823158 /nfs/dbraw/zinc/82/31/58/487823158.db2.gz HFHLTVZTPBQXQE-NXEZZACHSA-N 2 2 236.319 0.743 10 0 BCAELP CC[N@H+](C)C[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000310437624 323131483 /nfs/dbraw/zinc/13/14/83/323131483.db2.gz UYGOMCWIIXZDAV-NSHDSACASA-N 2 2 238.335 0.011 10 0 BCAELP CC[N@@H+](C)C[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000310437624 323131484 /nfs/dbraw/zinc/13/14/84/323131484.db2.gz UYGOMCWIIXZDAV-NSHDSACASA-N 2 2 238.335 0.011 10 0 BCAELP COc1c(N)[nH+]cnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000134921210 325383020 /nfs/dbraw/zinc/38/30/20/325383020.db2.gz JBOQQQLXJJUJFB-SECBINFHSA-N 2 2 249.318 0.352 10 0 BCAELP COc1c(N)[nH+]cnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000134921210 325383022 /nfs/dbraw/zinc/38/30/22/325383022.db2.gz JBOQQQLXJJUJFB-SECBINFHSA-N 2 2 249.318 0.352 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)n1C ZINC000568269566 326338114 /nfs/dbraw/zinc/33/81/14/326338114.db2.gz PGTRLWVRMYSNNV-GZMMTYOYSA-N 2 2 236.319 0.485 10 0 BCAELP C[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1[NH3+] ZINC000235650194 487998643 /nfs/dbraw/zinc/99/86/43/487998643.db2.gz RXBADYHXDQKDIE-ONGXEEELSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1[NH3+] ZINC000235650194 487998648 /nfs/dbraw/zinc/99/86/48/487998648.db2.gz RXBADYHXDQKDIE-ONGXEEELSA-N 2 2 208.309 0.242 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000380542123 487478328 /nfs/dbraw/zinc/47/83/28/487478328.db2.gz HJTUWUGMOZLSDR-MWLCHTKSSA-N 2 2 222.336 0.904 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000380542123 487478329 /nfs/dbraw/zinc/47/83/29/487478329.db2.gz HJTUWUGMOZLSDR-MWLCHTKSSA-N 2 2 222.336 0.904 10 0 BCAELP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000216383146 490380591 /nfs/dbraw/zinc/38/05/91/490380591.db2.gz WVSVMKIYTSYOJV-JHJVBQTASA-N 2 2 240.347 0.618 10 0 BCAELP C([C@H]1C[NH2+]CCO1)[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000216383146 490380597 /nfs/dbraw/zinc/38/05/97/490380597.db2.gz WVSVMKIYTSYOJV-JHJVBQTASA-N 2 2 240.347 0.618 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261540117 535575666 /nfs/dbraw/zinc/57/56/66/535575666.db2.gz DPHBFXOZCAVZOD-NEPJUHHUSA-N 2 2 241.379 0.975 10 0 BCAELP CC(C)[NH2+][C@](C)(Cn1cc[nH+]c1)C(N)=O ZINC000045432246 582879402 /nfs/dbraw/zinc/87/94/02/582879402.db2.gz DTALEEUMXJIWBF-SNVBAGLBSA-N 2 2 210.281 0.125 10 0 BCAELP C[NH2+][C@](C)(Cn1cc[nH+]c1C)C(=O)OC ZINC000045432880 582879435 /nfs/dbraw/zinc/87/94/35/582879435.db2.gz VABIKSXPOSLKHD-SNVBAGLBSA-N 2 2 211.265 0.343 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261540117 535575661 /nfs/dbraw/zinc/57/56/61/535575661.db2.gz DPHBFXOZCAVZOD-NEPJUHHUSA-N 2 2 241.379 0.975 10 0 BCAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]1C[NH3+] ZINC000757140489 582520801 /nfs/dbraw/zinc/52/08/01/582520801.db2.gz BWYMHJGHEPKDJN-SNVBAGLBSA-N 2 2 208.309 0.997 10 0 BCAELP [NH3+]C[C@@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000757140769 582520839 /nfs/dbraw/zinc/52/08/39/582520839.db2.gz FKTOETXTAQBZEF-VIFPVBQESA-N 2 2 204.277 0.891 10 0 BCAELP [NH3+][C@H]1C[NH2+]C[C@H](c2ccc(C=O)s2)C1 ZINC000757218597 582561676 /nfs/dbraw/zinc/56/16/76/582561676.db2.gz VELHQQLEUVCRTM-HTQZYQBOSA-N 2 2 210.302 0.965 10 0 BCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(N)=O)C1 ZINC000393604471 582817397 /nfs/dbraw/zinc/81/73/97/582817397.db2.gz ITTLMYXPNWCEBE-ZJUUUORDSA-N 2 2 213.325 0.180 10 0 BCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(N)=O)C1 ZINC000393604471 582817395 /nfs/dbraw/zinc/81/73/95/582817395.db2.gz ITTLMYXPNWCEBE-ZJUUUORDSA-N 2 2 213.325 0.180 10 0 BCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(N)=O)C1 ZINC000393604467 582817483 /nfs/dbraw/zinc/81/74/83/582817483.db2.gz ITTLMYXPNWCEBE-NXEZZACHSA-N 2 2 213.325 0.180 10 0 BCAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(N)=O)C1 ZINC000393604467 582817484 /nfs/dbraw/zinc/81/74/84/582817484.db2.gz ITTLMYXPNWCEBE-NXEZZACHSA-N 2 2 213.325 0.180 10 0 BCAELP COC(=O)[C@](C)([NH3+])CCCn1cc[nH+]c1 ZINC000045431728 582878086 /nfs/dbraw/zinc/87/80/86/582878086.db2.gz JWYSOVSXKPSRQF-SNVBAGLBSA-N 2 2 211.265 0.554 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000395114185 583042789 /nfs/dbraw/zinc/04/27/89/583042789.db2.gz KHSHUOGPZYQNAX-JHJVBQTASA-N 2 2 242.363 0.600 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000395114185 583042791 /nfs/dbraw/zinc/04/27/91/583042791.db2.gz KHSHUOGPZYQNAX-JHJVBQTASA-N 2 2 242.363 0.600 10 0 BCAELP CCOC(=O)[C@H]1C[NH2+]C[C@]12C[NH+]1CCC2CC1 ZINC000757185193 586434137 /nfs/dbraw/zinc/43/41/37/586434137.db2.gz PTYBXFZADXKXOF-DGCLKSJQSA-N 2 2 238.331 0.481 10 0 BCAELP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1ccc(C=O)s1 ZINC000757212909 586439547 /nfs/dbraw/zinc/43/95/47/586439547.db2.gz KCWKCLOWBKZSNE-IUCAKERBSA-N 2 2 210.302 0.965 10 0 BCAELP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1ccc(C=O)s1 ZINC000757212911 586439585 /nfs/dbraw/zinc/43/95/85/586439585.db2.gz KCWKCLOWBKZSNE-RKDXNWHRSA-N 2 2 210.302 0.965 10 0 BCAELP [NH3+]Cc1ccc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])cc1 ZINC000757216542 586441030 /nfs/dbraw/zinc/44/10/30/586441030.db2.gz QGNAMZHSMPCNPH-RYUDHWBXSA-N 3 2 205.305 0.897 10 0 BCAELP [NH3+]Cc1cccc([C@H]2CC[C@@H]([NH3+])C[NH2+]2)c1 ZINC000757218153 586441654 /nfs/dbraw/zinc/44/16/54/586441654.db2.gz UDAGKQHMWFUCNX-VXGBXAGGSA-N 3 2 205.305 0.897 10 0 BCAELP CCn1cc([C@@H]2C[C@@H](C)[C@H]([NH3+])C[NH2+]2)cn1 ZINC000757227373 586442873 /nfs/dbraw/zinc/44/28/73/586442873.db2.gz BNJIIDKBKYZBBR-IEBDPFPHSA-N 2 2 208.309 0.901 10 0 BCAELP Cc1c(C[N@@H+]2CCC[C@@H]2C[NH3+])cnn1C ZINC000020315803 590097997 /nfs/dbraw/zinc/09/79/97/590097997.db2.gz RAFFEDRQNZVGAX-LLVKDONJSA-N 2 2 208.309 0.652 10 0 BCAELP Cc1c(C[N@H+]2CCC[C@@H]2C[NH3+])cnn1C ZINC000020315803 590098001 /nfs/dbraw/zinc/09/80/01/590098001.db2.gz RAFFEDRQNZVGAX-LLVKDONJSA-N 2 2 208.309 0.652 10 0 BCAELP COC(=O)[C@@H]([NH3+])Cn1c[nH+]c2c1CCCC2 ZINC000127392998 590636182 /nfs/dbraw/zinc/63/61/82/590636182.db2.gz ALEIMBWSIQUWRR-QMMMGPOBSA-N 2 2 223.276 0.262 10 0 BCAELP c1ccn2c(c1)nnc2CC[NH2+][C@H]1CC[NH2+]C1 ZINC000094074912 631575114 /nfs/dbraw/zinc/57/51/14/631575114.db2.gz SZMMBWKLBXVXSN-JTQLQIEISA-N 2 2 231.303 0.223 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000250592872 635699036 /nfs/dbraw/zinc/69/90/36/635699036.db2.gz VLLTVPLBAPBCFU-RYUDHWBXSA-N 2 2 230.352 0.586 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000250592872 635699038 /nfs/dbraw/zinc/69/90/38/635699038.db2.gz VLLTVPLBAPBCFU-RYUDHWBXSA-N 2 2 230.352 0.586 10 0 BCAELP Cc1nonc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309275825 632875452 /nfs/dbraw/zinc/87/54/52/632875452.db2.gz DSYPASMOSYZHSQ-LPEHRKFASA-N 2 2 222.292 0.547 10 0 BCAELP Cc1nonc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309275825 632875454 /nfs/dbraw/zinc/87/54/54/632875454.db2.gz DSYPASMOSYZHSQ-LPEHRKFASA-N 2 2 222.292 0.547 10 0 BCAELP C[C@H]([NH3+])CN(C)c1cc(N(C)C)[nH+]cn1 ZINC000258602416 635170793 /nfs/dbraw/zinc/17/07/93/635170793.db2.gz BEIKKMKODBVBQN-QMMMGPOBSA-N 2 2 209.297 0.326 10 0 BCAELP C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000226467087 640767784 /nfs/dbraw/zinc/76/77/84/640767784.db2.gz DRKUROZELAIWBJ-RKDXNWHRSA-N 2 2 240.269 0.984 10 0 BCAELP C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000226467087 640767789 /nfs/dbraw/zinc/76/77/89/640767789.db2.gz DRKUROZELAIWBJ-RKDXNWHRSA-N 2 2 240.269 0.984 10 0 BCAELP C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000226467094 640767828 /nfs/dbraw/zinc/76/78/28/640767828.db2.gz DRKUROZELAIWBJ-BDAKNGLRSA-N 2 2 240.269 0.984 10 0 BCAELP C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000226467094 640767832 /nfs/dbraw/zinc/76/78/32/640767832.db2.gz DRKUROZELAIWBJ-BDAKNGLRSA-N 2 2 240.269 0.984 10 0 BCAELP CC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800142 643382640 /nfs/dbraw/zinc/38/26/40/643382640.db2.gz AHRRNGUOKZLSCR-GXSJLCMTSA-N 2 2 224.308 0.688 10 0 BCAELP COC(=O)[C@]1([NH3+])CCC[C@H](n2cc[nH+]c2)C1 ZINC000086604641 644154738 /nfs/dbraw/zinc/15/47/38/644154738.db2.gz OOSNPHLOMHKRBO-ONGXEEELSA-N 2 2 223.276 0.869 10 0 BCAELP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)O2 ZINC000086728892 644170476 /nfs/dbraw/zinc/17/04/76/644170476.db2.gz NVMZPDKQCOIPER-VXGBXAGGSA-N 2 2 218.300 0.942 10 0 BCAELP C[C@](CCn1cc[nH+]c1)([NH2+]C1CC1)C(N)=O ZINC000084507773 644426497 /nfs/dbraw/zinc/42/64/97/644426497.db2.gz KMCARJRMKQZKAX-LLVKDONJSA-N 2 2 222.292 0.269 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702632607 712057254 /nfs/dbraw/zinc/05/72/54/712057254.db2.gz JNVLXMOFFSDPPK-SDDRHHMPSA-N 2 2 230.352 0.586 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000702632607 712057256 /nfs/dbraw/zinc/05/72/56/712057256.db2.gz JNVLXMOFFSDPPK-SDDRHHMPSA-N 2 2 230.352 0.586 10 0 BCAELP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1[NH3+] ZINC000724560909 711590820 /nfs/dbraw/zinc/59/08/20/711590820.db2.gz XREIHTGETVBIFM-LDMBFOFVSA-N 2 2 226.320 0.069 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1[NH3+] ZINC000724560909 711590822 /nfs/dbraw/zinc/59/08/22/711590822.db2.gz XREIHTGETVBIFM-LDMBFOFVSA-N 2 2 226.320 0.069 10 0 BCAELP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000724560908 711590840 /nfs/dbraw/zinc/59/08/40/711590840.db2.gz XREIHTGETVBIFM-GCHJQGSQSA-N 2 2 226.320 0.069 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000724560908 711590842 /nfs/dbraw/zinc/59/08/42/711590842.db2.gz XREIHTGETVBIFM-GCHJQGSQSA-N 2 2 226.320 0.069 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702632604 712056950 /nfs/dbraw/zinc/05/69/50/712056950.db2.gz JNVLXMOFFSDPPK-GRYCIOLGSA-N 2 2 230.352 0.586 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702632604 712056951 /nfs/dbraw/zinc/05/69/51/712056951.db2.gz JNVLXMOFFSDPPK-GRYCIOLGSA-N 2 2 230.352 0.586 10 0 BCAELP Cc1cnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000708878118 712202211 /nfs/dbraw/zinc/20/22/11/712202211.db2.gz UDFRWOXKWOVYNR-QWRGUYRKSA-N 2 2 220.320 0.812 10 0 BCAELP Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nc1 ZINC000708878118 712202213 /nfs/dbraw/zinc/20/22/13/712202213.db2.gz UDFRWOXKWOVYNR-QWRGUYRKSA-N 2 2 220.320 0.812 10 0 BCAELP C[NH+](C)CC1CCN(c2cc(N)nc[nH+]2)CC1 ZINC000131335690 721948401 /nfs/dbraw/zinc/94/84/01/721948401.db2.gz WLESTVHTTXHKAH-UHFFFAOYSA-N 2 2 235.335 0.837 10 0 BCAELP O=C(NCCCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000062116673 349438301 /nfs/dbraw/zinc/43/83/01/349438301.db2.gz GWOUDROUSFJFEB-NSHDSACASA-N 2 2 236.319 0.389 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616612004 349468838 /nfs/dbraw/zinc/46/88/38/349468838.db2.gz IXRHLBVHVROTDU-AWEZNQCLSA-N 2 2 234.343 0.969 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc(CCO)c2)C1 ZINC000616612004 349468840 /nfs/dbraw/zinc/46/88/40/349468840.db2.gz IXRHLBVHVROTDU-AWEZNQCLSA-N 2 2 234.343 0.969 10 0 BCAELP C[C@@H]1C[NH2+][C@](C)([C@H]2C[NH2+]CCO2)S1 ZINC000575516827 398175939 /nfs/dbraw/zinc/17/59/39/398175939.db2.gz DLCWDDSELWVQPL-HLTSFMKQSA-N 2 2 202.323 0.416 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000153142432 178122558 /nfs/dbraw/zinc/12/25/58/178122558.db2.gz OZRYXALLWWNCOI-NWDGAFQWSA-N 2 2 248.330 0.613 10 0 BCAELP Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000153142432 178122559 /nfs/dbraw/zinc/12/25/59/178122559.db2.gz OZRYXALLWWNCOI-NWDGAFQWSA-N 2 2 248.330 0.613 10 0 BCAELP Cc1cc(NCCCN2CC[NH2+]CC2)nc[nH+]1 ZINC000040727532 178159792 /nfs/dbraw/zinc/15/97/92/178159792.db2.gz PKDLPDXFAAPVCQ-UHFFFAOYSA-N 2 2 235.335 0.492 10 0 BCAELP CCC(CC)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000049286529 168377599 /nfs/dbraw/zinc/37/75/99/168377599.db2.gz NJNJJSDMKDECSW-UHFFFAOYSA-N 2 2 241.379 0.975 10 0 BCAELP CCC(CC)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000049286529 168377600 /nfs/dbraw/zinc/37/76/00/168377600.db2.gz NJNJJSDMKDECSW-UHFFFAOYSA-N 2 2 241.379 0.975 10 0 BCAELP Nc1c[nH+]ccc1N1CC[NH+](C2COC2)CC1 ZINC000145126315 342760656 /nfs/dbraw/zinc/76/06/56/342760656.db2.gz WZWXEZIZNIEESQ-UHFFFAOYSA-N 2 2 234.303 0.185 10 0 BCAELP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cocn1)C2 ZINC000390233653 539020315 /nfs/dbraw/zinc/02/03/15/539020315.db2.gz FDOXYXMAIPRCDV-VIFPVBQESA-N 2 2 218.260 0.976 10 0 BCAELP C[C@@H]1C[C@@H](C)C[NH+](CC[C@H]([NH3+])C(N)=O)C1 ZINC000062439384 539016753 /nfs/dbraw/zinc/01/67/53/539016753.db2.gz NBPFSJLQCZKQHD-BBBLOLIVSA-N 2 2 213.325 0.167 10 0 BCAELP CCC1(C)CC[NH+](CC[C@H]([NH3+])C(N)=O)CC1 ZINC000062956190 539017418 /nfs/dbraw/zinc/01/74/18/539017418.db2.gz JBTZDKGCDNAXNF-JTQLQIEISA-N 2 2 227.352 0.701 10 0 BCAELP COc1cc([C@H]([NH3+])C[NH3+])ccc1OC(C)=O ZINC000072201103 343069650 /nfs/dbraw/zinc/06/96/50/343069650.db2.gz YIRZRSWSFCJZOY-SECBINFHSA-N 2 2 224.260 0.579 10 0 BCAELP COC(=O)[C@H]1C[NH2+]C[C@H]([NH+]2CCCC2)C1 ZINC000107214240 343075584 /nfs/dbraw/zinc/07/55/84/343075584.db2.gz IIDSVJFGGREHFW-NXEZZACHSA-N 2 2 212.293 0.233 10 0 BCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H](C)O ZINC000049555752 343111528 /nfs/dbraw/zinc/11/15/28/343111528.db2.gz UIPATMXMVHCQPG-WDEREUQCSA-N 2 2 202.342 0.933 10 0 BCAELP CCn1cc[nH+]c1CN1CCC[C@H]1C[NH3+] ZINC000168935699 343210562 /nfs/dbraw/zinc/21/05/62/343210562.db2.gz UHLUPXWVQZZMJU-JTQLQIEISA-N 2 2 208.309 0.826 10 0 BCAELP Cc1nccc(C[NH2+]CCn2cc[nH+]c2)n1 ZINC000054790832 136373189 /nfs/dbraw/zinc/37/31/89/136373189.db2.gz CIVHBFFACSNQGO-UHFFFAOYSA-N 2 2 217.276 0.771 10 0 BCAELP [NH3+]C[C@@H]([NH3+])c1ccc(Br)nc1 ZINC000044472388 343502219 /nfs/dbraw/zinc/50/22/19/343502219.db2.gz OLPFNIUXYVIGGN-ZCFIWIBFSA-N 2 2 216.082 0.803 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000379973055 365770169 /nfs/dbraw/zinc/77/01/69/365770169.db2.gz ODQRFZKQUBXMNJ-SNVBAGLBSA-N 2 2 236.319 0.724 10 0 BCAELP COC(=O)[C@H]([NH3+])[C@H](C)n1cc(C)[nH+]c1C ZINC000715107000 537863278 /nfs/dbraw/zinc/86/32/78/537863278.db2.gz HXAVFSCBHJMPSW-IONNQARKSA-N 2 2 211.265 0.561 10 0 BCAELP c1cn2c([nH+]1)CN(CC13CC(C1)C[NH2+]3)CC2 ZINC000634993705 345192040 /nfs/dbraw/zinc/19/20/40/345192040.db2.gz CKPZXDKGBPFTCP-UHFFFAOYSA-N 2 2 218.304 0.451 10 0 BCAELP Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999555 345200292 /nfs/dbraw/zinc/20/02/92/345200292.db2.gz WCJVOCGKHDEBHF-SCZZXKLOSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999555 345200295 /nfs/dbraw/zinc/20/02/95/345200295.db2.gz WCJVOCGKHDEBHF-SCZZXKLOSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1cn[nH]c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999720 345200308 /nfs/dbraw/zinc/20/03/08/345200308.db2.gz YHNKYDXKAGQLTG-ZJUUUORDSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999720 345200309 /nfs/dbraw/zinc/20/03/09/345200309.db2.gz YHNKYDXKAGQLTG-ZJUUUORDSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1cn[nH]c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999718 345200460 /nfs/dbraw/zinc/20/04/60/345200460.db2.gz YHNKYDXKAGQLTG-UWVGGRQHSA-N 2 2 208.309 0.745 10 0 BCAELP Cc1cn[nH]c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999718 345200463 /nfs/dbraw/zinc/20/04/63/345200463.db2.gz YHNKYDXKAGQLTG-UWVGGRQHSA-N 2 2 208.309 0.745 10 0 BCAELP CCn1ccnc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077785 537895257 /nfs/dbraw/zinc/89/52/57/537895257.db2.gz IRYURIPPSQGSLN-SNVBAGLBSA-N 2 2 206.293 0.302 10 0 BCAELP CCn1cc[nH+]c1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077785 537895263 /nfs/dbraw/zinc/89/52/63/537895263.db2.gz IRYURIPPSQGSLN-SNVBAGLBSA-N 3 2 206.293 0.302 10 0 BCAELP C[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000159589925 345442642 /nfs/dbraw/zinc/44/26/42/345442642.db2.gz LXXJPGTUDXRJSA-LLVKDONJSA-N 2 2 222.292 0.558 10 0 BCAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000118237370 537926173 /nfs/dbraw/zinc/92/61/73/537926173.db2.gz WBYKRESBRFTKBV-RYUDHWBXSA-N 2 2 206.289 0.581 10 0 BCAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000118237370 537926177 /nfs/dbraw/zinc/92/61/77/537926177.db2.gz WBYKRESBRFTKBV-RYUDHWBXSA-N 2 2 206.289 0.581 10 0 BCAELP C[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800166 537924357 /nfs/dbraw/zinc/92/43/57/537924357.db2.gz ZQUMLBLOMNLUKL-WPRPVWTQSA-N 2 2 210.281 0.298 10 0 BCAELP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)C1 ZINC000669379168 537974406 /nfs/dbraw/zinc/97/44/06/537974406.db2.gz VIQATLCVBCOVMM-UPJWGTAASA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@@H](C[NH3+])C2)C1 ZINC000669379168 537974413 /nfs/dbraw/zinc/97/44/13/537974413.db2.gz VIQATLCVBCOVMM-UPJWGTAASA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]C[C@@H](C[NH3+])C2)C1 ZINC000669379167 537975397 /nfs/dbraw/zinc/97/53/97/537975397.db2.gz VIQATLCVBCOVMM-JHJVBQTASA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]C[C@@H](C[NH3+])C2)C1 ZINC000669379167 537975402 /nfs/dbraw/zinc/97/54/02/537975402.db2.gz VIQATLCVBCOVMM-JHJVBQTASA-N 3 2 225.380 0.903 10 0 BCAELP Nc1[nH+]cccc1CC(=O)[C@@H]1CCC[NH2+]1 ZINC000167664898 346455872 /nfs/dbraw/zinc/45/58/72/346455872.db2.gz FEEXUNSZIREKCW-VIFPVBQESA-N 2 2 205.261 0.527 10 0 BCAELP C[C@H](C[NH2+]CC(C)(C)O)C[NH+]1CCOCC1 ZINC000580182804 346626020 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COC(=O)[C@@]1([NH3+])CC[C@H](n2cc[nH+]c2)C1 ZINC000086626593 538556883 /nfs/dbraw/zinc/55/68/83/538556883.db2.gz GKMWDRFLLOMHLQ-WCBMZHEXSA-N 2 2 209.249 0.479 10 0 BCAELP C[NH2+][C@]1(C(N)=O)CC[C@H](n2cc[nH+]c2)C1 ZINC000086626553 538557248 /nfs/dbraw/zinc/55/72/48/538557248.db2.gz JTIRLNZGVYIUCN-WCBMZHEXSA-N 2 2 208.265 0.052 10 0 BCAELP c1ccc(NC[C@H]2C[NH2+]CCCO2)[nH+]c1 ZINC000389788911 357032547 /nfs/dbraw/zinc/03/25/47/357032547.db2.gz HCOPUPMPMQYLAC-SNVBAGLBSA-N 2 2 207.277 0.872 10 0 BCAELP c1ccc(NC[C@@H]2C[NH2+]CCCO2)[nH+]c1 ZINC000389788910 357032685 /nfs/dbraw/zinc/03/26/85/357032685.db2.gz HCOPUPMPMQYLAC-JTQLQIEISA-N 2 2 207.277 0.872 10 0 BCAELP [NH3+][C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCOCC2 ZINC000685949194 538892702 /nfs/dbraw/zinc/89/27/02/538892702.db2.gz LQCHJNXEWSMWIL-GHMZBOCLSA-N 2 2 226.320 0.215 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226046467 358333133 /nfs/dbraw/zinc/33/31/33/358333133.db2.gz SRZMWBVUJQWRGV-STQMWFEESA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226046467 358333136 /nfs/dbraw/zinc/33/31/36/358333136.db2.gz SRZMWBVUJQWRGV-STQMWFEESA-N 2 2 244.379 0.848 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]([N@@H+]2CCC[S@](=O)CC2)C1 ZINC000306490539 360202181 /nfs/dbraw/zinc/20/21/81/360202181.db2.gz VGIZHDBGWVSMDX-RULNRJAQSA-N 2 2 216.350 0.321 10 0 BCAELP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCC[S@](=O)CC2)C1 ZINC000306490539 360202187 /nfs/dbraw/zinc/20/21/87/360202187.db2.gz VGIZHDBGWVSMDX-RULNRJAQSA-N 2 2 216.350 0.321 10 0 BCAELP CC(C)[C@H](C)[C@H]([NH3+])[C@H]1C[N@H+](C)CCO1 ZINC000306553263 360426901 /nfs/dbraw/zinc/42/69/01/360426901.db2.gz BCIXYEYKUCUOPP-AXFHLTTASA-N 2 2 200.326 0.936 10 0 BCAELP CC(C)[C@H](C)[C@H]([NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC000306553263 360426902 /nfs/dbraw/zinc/42/69/02/360426902.db2.gz BCIXYEYKUCUOPP-AXFHLTTASA-N 2 2 200.326 0.936 10 0 BCAELP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1CC[S@@](C)=O ZINC000306560117 360435174 /nfs/dbraw/zinc/43/51/74/360435174.db2.gz BANZJAVARPMESG-JRKPZEMJSA-N 2 2 204.339 0.177 10 0 BCAELP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CC[S@@](C)=O ZINC000306560117 360435176 /nfs/dbraw/zinc/43/51/76/360435176.db2.gz BANZJAVARPMESG-JRKPZEMJSA-N 2 2 204.339 0.177 10 0 BCAELP [NH3+]C1(C(=O)N2CCn3cc[nH+]c3C2)CCCCC1 ZINC000062254740 181324556 /nfs/dbraw/zinc/32/45/56/181324556.db2.gz SWGLECMCKADVBB-UHFFFAOYSA-N 2 2 248.330 0.887 10 0 BCAELP COCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630358610 364079108 /nfs/dbraw/zinc/07/91/08/364079108.db2.gz AYBQQCNJDPWPOI-UWVGGRQHSA-N 2 2 202.298 0.071 10 0 BCAELP COCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630358610 364079113 /nfs/dbraw/zinc/07/91/13/364079113.db2.gz AYBQQCNJDPWPOI-UWVGGRQHSA-N 2 2 202.298 0.071 10 0 BCAELP [NH3+]CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000037712785 364544876 /nfs/dbraw/zinc/54/48/76/364544876.db2.gz OIXGOXWMHIPECV-UHFFFAOYSA-N 2 2 230.315 0.980 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000384882149 367750789 /nfs/dbraw/zinc/75/07/89/367750789.db2.gz ISOWRDBCPQYHAY-RTXFEEFZSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000384882149 367750792 /nfs/dbraw/zinc/75/07/92/367750792.db2.gz ISOWRDBCPQYHAY-RTXFEEFZSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000384882149 367750799 /nfs/dbraw/zinc/75/07/99/367750799.db2.gz ISOWRDBCPQYHAY-RTXFEEFZSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1[C@@H](O)CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384882149 367750803 /nfs/dbraw/zinc/75/08/03/367750803.db2.gz ISOWRDBCPQYHAY-RTXFEEFZSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H](C[N@@H+]1CC[NH2+]C[C@@H](C)C1)[S@](C)=O ZINC000252934710 368168859 /nfs/dbraw/zinc/16/88/59/368168859.db2.gz DWRMGNVRGNATGG-BFVZDQMLSA-N 2 2 218.366 0.295 10 0 BCAELP C[C@@H](C[N@H+]1CC[NH2+]C[C@@H](C)C1)[S@](C)=O ZINC000252934710 368168868 /nfs/dbraw/zinc/16/88/68/368168868.db2.gz DWRMGNVRGNATGG-BFVZDQMLSA-N 2 2 218.366 0.295 10 0 BCAELP CC(C)n1ncnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836690 369089134 /nfs/dbraw/zinc/08/91/34/369089134.db2.gz FAQGLYJYHLTUAA-WDEREUQCSA-N 2 2 237.351 0.886 10 0 BCAELP CC(C)n1ncnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631836690 369089140 /nfs/dbraw/zinc/08/91/40/369089140.db2.gz FAQGLYJYHLTUAA-WDEREUQCSA-N 2 2 237.351 0.886 10 0 BCAELP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)c2ccccc21 ZINC000132082268 181599608 /nfs/dbraw/zinc/59/96/08/181599608.db2.gz QOUKPKPKKGJBLQ-UPJWGTAASA-N 2 2 245.326 0.999 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838366 372632212 /nfs/dbraw/zinc/63/22/12/372632212.db2.gz NAXPUYPVEZSIBT-UWVGGRQHSA-N 2 2 238.339 0.281 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838366 372632216 /nfs/dbraw/zinc/63/22/16/372632216.db2.gz NAXPUYPVEZSIBT-UWVGGRQHSA-N 2 2 238.339 0.281 10 0 BCAELP C[N@H+](C[C@@H]1CCOCO1)[C@@H]1CC[NH2+]C1 ZINC000070894446 374226188 /nfs/dbraw/zinc/22/61/88/374226188.db2.gz HCGZZLSKQNOLQZ-ZJUUUORDSA-N 2 2 200.282 0.043 10 0 BCAELP C[N@@H+](C[C@@H]1CCOCO1)[C@@H]1CC[NH2+]C1 ZINC000070894446 374226194 /nfs/dbraw/zinc/22/61/94/374226194.db2.gz HCGZZLSKQNOLQZ-ZJUUUORDSA-N 2 2 200.282 0.043 10 0 BCAELP O[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000051770045 183189558 /nfs/dbraw/zinc/18/95/58/183189558.db2.gz HCMUPOLEXSMXJK-NWDGAFQWSA-N 2 2 212.337 0.975 10 0 BCAELP CCC[NH2+]CCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000042681343 169257672 /nfs/dbraw/zinc/25/76/72/169257672.db2.gz DZDNCMZSGQOXME-UHFFFAOYSA-N 2 2 241.379 0.930 10 0 BCAELP CCC[NH2+]CCC[N@H+]1CCCN(C(C)=O)CC1 ZINC000042681343 169257673 /nfs/dbraw/zinc/25/76/73/169257673.db2.gz DZDNCMZSGQOXME-UHFFFAOYSA-N 2 2 241.379 0.930 10 0 BCAELP CCC[NH2+]CC[NH2+]CCCn1cc[nH+]c1 ZINC000049478670 169258959 /nfs/dbraw/zinc/25/89/59/169258959.db2.gz SPHLWNUJEQALRW-UHFFFAOYSA-N 3 2 210.325 0.862 10 0 BCAELP CCC[NH2+]CC[NH2+]CCCn1ccnc1 ZINC000049478670 169258960 /nfs/dbraw/zinc/25/89/60/169258960.db2.gz SPHLWNUJEQALRW-UHFFFAOYSA-N 2 2 210.325 0.862 10 0 BCAELP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc2c1OCO2 ZINC000086725165 183368079 /nfs/dbraw/zinc/36/80/79/183368079.db2.gz DJNQJUNNAHFQFE-JTQLQIEISA-N 2 2 220.272 0.867 10 0 BCAELP CCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccn1 ZINC000036777311 169264134 /nfs/dbraw/zinc/26/41/34/169264134.db2.gz OFIHXJWDHPOTSZ-ZDUSSCGKSA-N 2 2 237.347 0.874 10 0 BCAELP CCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccn1 ZINC000036777311 169264136 /nfs/dbraw/zinc/26/41/36/169264136.db2.gz OFIHXJWDHPOTSZ-ZDUSSCGKSA-N 2 2 237.347 0.874 10 0 BCAELP CCC[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC000104415939 169264523 /nfs/dbraw/zinc/26/45/23/169264523.db2.gz HNUUQFNPSCTNAO-NWDGAFQWSA-N 2 2 241.379 0.833 10 0 BCAELP CCC[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC000104415939 169264524 /nfs/dbraw/zinc/26/45/24/169264524.db2.gz HNUUQFNPSCTNAO-NWDGAFQWSA-N 2 2 241.379 0.833 10 0 BCAELP CCC[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)NC ZINC000104429711 169264615 /nfs/dbraw/zinc/26/46/15/169264615.db2.gz CVDXWZTYJOXNGP-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)NC ZINC000104429711 169264616 /nfs/dbraw/zinc/26/46/16/169264616.db2.gz CVDXWZTYJOXNGP-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH2+]Cc1c[nH]c(N2CC[NH+](C)CC2)n1 ZINC000062821224 169269506 /nfs/dbraw/zinc/26/95/06/169269506.db2.gz BTSSKFYGWXQKPY-UHFFFAOYSA-N 2 2 237.351 0.661 10 0 BCAELP CCC[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000135883511 169345495 /nfs/dbraw/zinc/34/54/95/169345495.db2.gz LXJDSDAYZAHDOT-NSHDSACASA-N 2 2 238.335 0.730 10 0 BCAELP O=C(NCCn1cc[nH+]c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763110 384025569 /nfs/dbraw/zinc/02/55/69/384025569.db2.gz OCDXHCBWZOVVJI-AAEUAGOBSA-N 2 2 248.330 0.389 10 0 BCAELP [NH3+][C@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000085013768 384262628 /nfs/dbraw/zinc/26/26/28/384262628.db2.gz WKWLVLBZZRFSPS-YUMQZZPRSA-N 2 2 208.265 0.153 10 0 BCAELP O=C(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000095072801 384344981 /nfs/dbraw/zinc/34/49/81/384344981.db2.gz IBKDCKKUFYEJDY-SECBINFHSA-N 2 2 239.344 0.915 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+](Cc2nccnc2Cl)C1 ZINC000095072732 384345815 /nfs/dbraw/zinc/34/58/15/384345815.db2.gz JGDKZACGOMABNL-QMMMGPOBSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+](Cc2nccnc2Cl)C1 ZINC000095072732 384345823 /nfs/dbraw/zinc/34/58/23/384345823.db2.gz JGDKZACGOMABNL-QMMMGPOBSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cnccn1 ZINC000095077423 384352933 /nfs/dbraw/zinc/35/29/33/384352933.db2.gz USLRCNKDBAAJRH-MNOVXSKESA-N 2 2 206.293 0.836 10 0 BCAELP CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H]([NH3+])C1 ZINC000144038727 384368783 /nfs/dbraw/zinc/36/87/83/384368783.db2.gz UJLDFDMDAGJZSV-JGVFFNPUSA-N 2 2 215.297 0.282 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068394 384329751 /nfs/dbraw/zinc/32/97/51/384329751.db2.gz MVYNNZSHJREIMY-UWVGGRQHSA-N 2 2 206.293 0.737 10 0 BCAELP Clc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)nn1 ZINC000095069846 384334384 /nfs/dbraw/zinc/33/43/84/384334384.db2.gz RUZQZHCTUPCZJU-MRVPVSSYSA-N 2 2 226.711 0.829 10 0 BCAELP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647512638 384410912 /nfs/dbraw/zinc/41/09/12/384410912.db2.gz NYHGOZNMGGKHKD-AXFHLTTASA-N 2 2 220.320 0.887 10 0 BCAELP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647512638 384410918 /nfs/dbraw/zinc/41/09/18/384410918.db2.gz NYHGOZNMGGKHKD-AXFHLTTASA-N 2 2 220.320 0.887 10 0 BCAELP CC(C)(C)OC(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000141935011 384686159 /nfs/dbraw/zinc/68/61/59/384686159.db2.gz JUXSGTOWKOLPFV-UHFFFAOYSA-N 2 2 229.324 0.416 10 0 BCAELP C[NH2+]CCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000258969057 384718106 /nfs/dbraw/zinc/71/81/06/384718106.db2.gz NNBITCBWSMQRBQ-UHFFFAOYSA-N 2 2 221.308 0.707 10 0 BCAELP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+]2C)cnn1C ZINC000126223375 384779079 /nfs/dbraw/zinc/77/90/79/384779079.db2.gz PVPDTHAJNGLJRE-GFCCVEGCSA-N 2 2 222.336 0.912 10 0 BCAELP Cc1c(C[NH2+]C[C@H]2CCC[N@H+]2C)cnn1C ZINC000126223375 384779089 /nfs/dbraw/zinc/77/90/89/384779089.db2.gz PVPDTHAJNGLJRE-GFCCVEGCSA-N 2 2 222.336 0.912 10 0 BCAELP CS(=O)(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC000044470100 384732937 /nfs/dbraw/zinc/73/29/37/384732937.db2.gz YWVWBMPSAZMKBB-SECBINFHSA-N 2 2 214.290 0.049 10 0 BCAELP Cc1cc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)nc(C)[nH+]1 ZINC000404092951 384896539 /nfs/dbraw/zinc/89/65/39/384896539.db2.gz UYHOLRARTAZFQC-VXGBXAGGSA-N 2 2 248.330 0.661 10 0 BCAELP COC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368090434 384938396 /nfs/dbraw/zinc/93/83/96/384938396.db2.gz RHASOSXRYXKRQE-BDAKNGLRSA-N 2 2 209.293 0.892 10 0 BCAELP COC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368090434 384938404 /nfs/dbraw/zinc/93/84/04/384938404.db2.gz RHASOSXRYXKRQE-BDAKNGLRSA-N 2 2 209.293 0.892 10 0 BCAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCSC1 ZINC000043802194 385049595 /nfs/dbraw/zinc/04/95/95/385049595.db2.gz YLEZZEGXKCKGNP-ZJUUUORDSA-N 2 2 216.350 0.412 10 0 BCAELP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000259351016 385303666 /nfs/dbraw/zinc/30/36/66/385303666.db2.gz SZXCNYQQYPARBF-LBPRGKRZSA-N 2 2 205.305 0.419 10 0 BCAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000259351016 385303667 /nfs/dbraw/zinc/30/36/67/385303667.db2.gz SZXCNYQQYPARBF-LBPRGKRZSA-N 2 2 205.305 0.419 10 0 BCAELP [NH3+]C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000259351016 385303672 /nfs/dbraw/zinc/30/36/72/385303672.db2.gz SZXCNYQQYPARBF-LBPRGKRZSA-N 2 2 205.305 0.419 10 0 BCAELP CC(C)[C@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000236736084 385429132 /nfs/dbraw/zinc/42/91/32/385429132.db2.gz PIWDJEFAJNQRFI-LURJTMIESA-N 2 2 201.295 0.189 10 0 BCAELP C[N@@H+]1CCN(Cc2noc(C[NH3+])n2)CC1(C)C ZINC000310031917 386055953 /nfs/dbraw/zinc/05/59/53/386055953.db2.gz QDUXHIAJUJUVNC-UHFFFAOYSA-N 2 2 239.323 0.054 10 0 BCAELP C[N@H+]1CCN(Cc2noc(C[NH3+])n2)CC1(C)C ZINC000310031917 386055958 /nfs/dbraw/zinc/05/59/58/386055958.db2.gz QDUXHIAJUJUVNC-UHFFFAOYSA-N 2 2 239.323 0.054 10 0 BCAELP CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C1 ZINC000393507145 386116501 /nfs/dbraw/zinc/11/65/01/386116501.db2.gz IDFBXVXVFQZEAF-NXEZZACHSA-N 2 2 200.326 0.735 10 0 BCAELP c1ccc2c(c1)OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)O2 ZINC000094075068 386444329 /nfs/dbraw/zinc/44/43/29/386444329.db2.gz AAGLAWANIZFAHU-GHMZBOCLSA-N 2 2 234.299 0.778 10 0 BCAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000643454664 387384460 /nfs/dbraw/zinc/38/44/60/387384460.db2.gz LRHUIKTZOINDRN-SRVKXCTJSA-N 3 2 213.369 0.914 10 0 BCAELP COc1ccc[nH+]c1N1CCCO[C@@H](C[NH3+])C1 ZINC000313355991 387886327 /nfs/dbraw/zinc/88/63/27/387886327.db2.gz OGZXTGUNAAYHMV-JTQLQIEISA-N 2 2 237.303 0.644 10 0 BCAELP COC[C@H](C)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249188596 388711741 /nfs/dbraw/zinc/71/17/41/388711741.db2.gz MKTAZEZSUXLVAG-NEPJUHHUSA-N 2 2 230.352 0.531 10 0 BCAELP COC[C@H](C)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249188596 388711742 /nfs/dbraw/zinc/71/17/42/388711742.db2.gz MKTAZEZSUXLVAG-NEPJUHHUSA-N 2 2 230.352 0.531 10 0 BCAELP C[N@@H+]1CCN(c2nc3ccccc3o2)[C@@H](C[NH3+])C1 ZINC000226621596 388724360 /nfs/dbraw/zinc/72/43/60/388724360.db2.gz LDARRHAPUGEZQU-JTQLQIEISA-N 2 2 246.314 0.907 10 0 BCAELP C[N@H+]1CCN(c2nc3ccccc3o2)[C@@H](C[NH3+])C1 ZINC000226621596 388724362 /nfs/dbraw/zinc/72/43/62/388724362.db2.gz LDARRHAPUGEZQU-JTQLQIEISA-N 2 2 246.314 0.907 10 0 BCAELP C[C@@H](O)[C@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000575493288 388950405 /nfs/dbraw/zinc/95/04/05/388950405.db2.gz IGQFEZOLASQSLK-YPMHNXCESA-N 2 2 220.316 0.971 10 0 BCAELP C[C@@H](O)[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000575493288 388950408 /nfs/dbraw/zinc/95/04/08/388950408.db2.gz IGQFEZOLASQSLK-YPMHNXCESA-N 2 2 220.316 0.971 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1C ZINC000565540264 388953108 /nfs/dbraw/zinc/95/31/08/388953108.db2.gz OBIXCKZOHKUVRS-AXFHLTTASA-N 2 2 249.362 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1C ZINC000565540264 388953110 /nfs/dbraw/zinc/95/31/10/388953110.db2.gz OBIXCKZOHKUVRS-AXFHLTTASA-N 2 2 249.362 0.547 10 0 BCAELP COC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000036960328 132343046 /nfs/dbraw/zinc/34/30/46/132343046.db2.gz AYZBXYINCFITHN-UHFFFAOYSA-N 2 2 249.314 0.813 10 0 BCAELP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418473 132362261 /nfs/dbraw/zinc/36/22/61/132362261.db2.gz WBGIGWWNOOLHOS-LBPRGKRZSA-N 2 2 249.362 0.597 10 0 BCAELP Cc1ccc(N2CCN([C@H](C)C[NH3+])CC2)[nH+]c1 ZINC000058022126 132367986 /nfs/dbraw/zinc/36/79/86/132367986.db2.gz CQAVIQCEDPJQSX-GFCCVEGCSA-N 2 2 234.347 0.859 10 0 BCAELP CCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168806145 134246784 /nfs/dbraw/zinc/24/67/84/134246784.db2.gz RHBWUJLVHSHHLC-NSHDSACASA-N 2 2 227.352 0.587 10 0 BCAELP CCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168806145 134246785 /nfs/dbraw/zinc/24/67/85/134246785.db2.gz RHBWUJLVHSHHLC-NSHDSACASA-N 2 2 227.352 0.587 10 0 BCAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000261535708 135109089 /nfs/dbraw/zinc/10/90/89/135109089.db2.gz PCTBBXNRDQHOTE-GXSJLCMTSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000261535708 135109090 /nfs/dbraw/zinc/10/90/90/135109090.db2.gz PCTBBXNRDQHOTE-GXSJLCMTSA-N 2 2 208.309 0.904 10 0 BCAELP Cc1cccc(N2CCN([C@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000257691950 135139432 /nfs/dbraw/zinc/13/94/32/135139432.db2.gz JHPMKZUAISYUBP-ZDUSSCGKSA-N 2 2 246.358 0.874 10 0 BCAELP OC[C@@]1(F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261551119 135190084 /nfs/dbraw/zinc/19/00/84/135190084.db2.gz QCWMXJSFCDXVQP-WDEREUQCSA-N 2 2 216.300 0.392 10 0 BCAELP OC[C@@]1(F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261551119 135190085 /nfs/dbraw/zinc/19/00/85/135190085.db2.gz QCWMXJSFCDXVQP-WDEREUQCSA-N 2 2 216.300 0.392 10 0 BCAELP OC[C@]1(F)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261551116 135190135 /nfs/dbraw/zinc/19/01/35/135190135.db2.gz QCWMXJSFCDXVQP-MNOVXSKESA-N 2 2 216.300 0.392 10 0 BCAELP OC[C@]1(F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261551116 135190137 /nfs/dbraw/zinc/19/01/37/135190137.db2.gz QCWMXJSFCDXVQP-MNOVXSKESA-N 2 2 216.300 0.392 10 0 BCAELP CN(C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000261556181 135196037 /nfs/dbraw/zinc/19/60/37/135196037.db2.gz QMWVJOPVSYFGAH-GHMZBOCLSA-N 2 2 237.347 0.149 10 0 BCAELP CN(C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000261556181 135196038 /nfs/dbraw/zinc/19/60/38/135196038.db2.gz QMWVJOPVSYFGAH-GHMZBOCLSA-N 2 2 237.347 0.149 10 0 BCAELP OC[C@@H]1C[C@H](F)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261556562 135196917 /nfs/dbraw/zinc/19/69/17/135196917.db2.gz WCGJPBDKLJHWPE-DCAQKATOSA-N 2 2 216.300 0.391 10 0 BCAELP OC[C@@H]1C[C@H](F)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261556562 135196918 /nfs/dbraw/zinc/19/69/18/135196918.db2.gz WCGJPBDKLJHWPE-DCAQKATOSA-N 2 2 216.300 0.391 10 0 BCAELP Cc1csc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000261557332 135198077 /nfs/dbraw/zinc/19/80/77/135198077.db2.gz XFBBZGCSOKDYRA-RKDXNWHRSA-N 2 2 227.333 0.121 10 0 BCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261560758 135201919 /nfs/dbraw/zinc/20/19/19/135201919.db2.gz UUUGAFZTGKZAJM-RYUDHWBXSA-N 2 2 239.363 0.300 10 0 BCAELP CC(C)CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261560758 135201920 /nfs/dbraw/zinc/20/19/20/135201920.db2.gz UUUGAFZTGKZAJM-RYUDHWBXSA-N 2 2 239.363 0.300 10 0 BCAELP Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc[nH+]1 ZINC000261562540 135204635 /nfs/dbraw/zinc/20/46/35/135204635.db2.gz BIZQTWSKDHPYCR-HBNTYKKESA-N 2 2 218.304 0.959 10 0 BCAELP Cc1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc[nH+]1 ZINC000261564180 135205749 /nfs/dbraw/zinc/20/57/49/135205749.db2.gz CIWINPDUORGCJQ-WDEREUQCSA-N 2 2 218.304 0.973 10 0 BCAELP O=C(CC[C@@H]1CCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000261563892 135206229 /nfs/dbraw/zinc/20/62/29/135206229.db2.gz GZXRCODJLIFWJZ-NSHDSACASA-N 2 2 248.330 0.758 10 0 BCAELP Cc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000261571747 135213695 /nfs/dbraw/zinc/21/36/95/135213695.db2.gz HUTAGUYJDSHVNS-DCAQKATOSA-N 2 2 218.304 0.959 10 0 BCAELP Cn1ccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261573363 135214636 /nfs/dbraw/zinc/21/46/36/135214636.db2.gz IRWWEWJGNOEXGA-DCAQKATOSA-N 2 2 220.320 0.589 10 0 BCAELP Cn1ccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261573363 135214638 /nfs/dbraw/zinc/21/46/38/135214638.db2.gz IRWWEWJGNOEXGA-DCAQKATOSA-N 2 2 220.320 0.589 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cocn3)C[C@H]12 ZINC000261592817 135233685 /nfs/dbraw/zinc/23/36/85/135233685.db2.gz WDWOIMVYPQWKNL-INTQDDNPSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cocn3)C[C@H]12 ZINC000261592817 135233687 /nfs/dbraw/zinc/23/36/87/135233687.db2.gz WDWOIMVYPQWKNL-INTQDDNPSA-N 2 2 207.277 0.844 10 0 BCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951918 135266152 /nfs/dbraw/zinc/26/61/52/135266152.db2.gz OBRMTUXNFQPIHN-UPJWGTAASA-N 3 2 223.364 0.479 10 0 BCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951918 135266154 /nfs/dbraw/zinc/26/61/54/135266154.db2.gz OBRMTUXNFQPIHN-UPJWGTAASA-N 3 2 223.364 0.479 10 0 BCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951918 135266155 /nfs/dbraw/zinc/26/61/55/135266155.db2.gz OBRMTUXNFQPIHN-UPJWGTAASA-N 3 2 223.364 0.479 10 0 BCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000261951918 135266157 /nfs/dbraw/zinc/26/61/57/135266157.db2.gz OBRMTUXNFQPIHN-UPJWGTAASA-N 3 2 223.364 0.479 10 0 BCAELP Cn1nccc1C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262095437 135278469 /nfs/dbraw/zinc/27/84/69/135278469.db2.gz VCOGOXDRWAMDBL-GFCCVEGCSA-N 2 2 222.336 0.852 10 0 BCAELP Cn1nccc1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000262095437 135278471 /nfs/dbraw/zinc/27/84/71/135278471.db2.gz VCOGOXDRWAMDBL-GFCCVEGCSA-N 2 2 222.336 0.852 10 0 BCAELP COC(=O)C(C)(C)CC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262133104 135280334 /nfs/dbraw/zinc/28/03/34/135280334.db2.gz YIHVKWVEBQZSDI-UWVGGRQHSA-N 2 2 228.336 0.855 10 0 BCAELP COC(=O)C(C)(C)CC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262133104 135280335 /nfs/dbraw/zinc/28/03/35/135280335.db2.gz YIHVKWVEBQZSDI-UWVGGRQHSA-N 2 2 228.336 0.855 10 0 BCAELP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)nc1 ZINC000262124328 135280778 /nfs/dbraw/zinc/28/07/78/135280778.db2.gz NMJIANORSJWXMV-GFCCVEGCSA-N 2 2 205.305 0.884 10 0 BCAELP C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262162670 135282956 /nfs/dbraw/zinc/28/29/56/135282956.db2.gz VKBUGEMGZUMGNJ-OUAUKWLOSA-N 2 2 236.319 0.640 10 0 BCAELP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)nc1 ZINC000263166173 135336428 /nfs/dbraw/zinc/33/64/28/135336428.db2.gz FFQXTXHPBNOWQO-PWSUYJOCSA-N 2 2 221.304 0.060 10 0 BCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)cccc1F ZINC000263246644 135342470 /nfs/dbraw/zinc/34/24/70/135342470.db2.gz PIVJYVNCNRXSDA-UFBFGSQYSA-N 2 2 242.269 0.635 10 0 BCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC000263246641 135342889 /nfs/dbraw/zinc/34/28/89/135342889.db2.gz PIVJYVNCNRXSDA-PRHODGIISA-N 2 2 242.269 0.635 10 0 BCAELP CCc1cnc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263267848 135343327 /nfs/dbraw/zinc/34/33/27/135343327.db2.gz RTWVUWVXGHVVHL-SCZZXKLOSA-N 2 2 241.360 0.375 10 0 BCAELP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000054048862 167040512 /nfs/dbraw/zinc/04/05/12/167040512.db2.gz HRXXSANSEFFUND-SNVBAGLBSA-N 2 2 213.325 0.324 10 0 BCAELP CC(C)NC(=O)CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000054048862 167040514 /nfs/dbraw/zinc/04/05/14/167040514.db2.gz HRXXSANSEFFUND-SNVBAGLBSA-N 2 2 213.325 0.324 10 0 BCAELP C[C@H](C[NH3+])N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000258766252 322877213 /nfs/dbraw/zinc/87/72/13/322877213.db2.gz QAKQBMJLFHWTCT-MRVPVSSYSA-N 2 2 221.308 0.834 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228657348 167317240 /nfs/dbraw/zinc/31/72/40/167317240.db2.gz VBZTXGYQSWWLDT-WDEREUQCSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000228657348 167317244 /nfs/dbraw/zinc/31/72/44/167317244.db2.gz VBZTXGYQSWWLDT-WDEREUQCSA-N 2 2 248.392 0.479 10 0 BCAELP OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616626826 409875940 /nfs/dbraw/zinc/87/59/40/409875940.db2.gz CEAMRAMHODWMCF-NSHDSACASA-N 2 2 209.293 0.902 10 0 BCAELP OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616626826 409875945 /nfs/dbraw/zinc/87/59/45/409875945.db2.gz CEAMRAMHODWMCF-NSHDSACASA-N 2 2 209.293 0.902 10 0 BCAELP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1csnn1)C2 ZINC000309611495 410125490 /nfs/dbraw/zinc/12/54/90/410125490.db2.gz MULFHWFFZVJDSF-QMMMGPOBSA-N 2 2 235.316 0.839 10 0 BCAELP COc1cc(C)[nH+]c(Cn2cc(C[NH3+])nn2)c1 ZINC000126354647 410323621 /nfs/dbraw/zinc/32/36/21/410323621.db2.gz VEVJMEVMIQKQRA-UHFFFAOYSA-N 2 2 233.275 0.497 10 0 BCAELP COc1ccc[nH+]c1N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000128505871 410360895 /nfs/dbraw/zinc/36/08/95/410360895.db2.gz ZMWSGAUXKUNJRY-GXSJLCMTSA-N 2 2 237.303 0.643 10 0 BCAELP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037894271 169785365 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Nc1cc([C@@H]2COCC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616660065 411279332 /nfs/dbraw/zinc/27/93/32/411279332.db2.gz KMNXWWPJXGWTDH-NSHDSACASA-N 2 2 237.303 0.072 10 0 BCAELP Nc1ccn([C@@H]2CCC[N@H+](CC[NH3+])CC2)n1 ZINC000616602146 411287057 /nfs/dbraw/zinc/28/70/57/411287057.db2.gz STZMDBIJKUEPRO-SNVBAGLBSA-N 2 2 223.324 0.451 10 0 BCAELP Nc1ccn([C@@H]2CCC[N@@H+](CC[NH3+])CC2)n1 ZINC000616602146 411287064 /nfs/dbraw/zinc/28/70/64/411287064.db2.gz STZMDBIJKUEPRO-SNVBAGLBSA-N 2 2 223.324 0.451 10 0 BCAELP Nc1n[nH]cc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616620515 411287116 /nfs/dbraw/zinc/28/71/16/411287116.db2.gz LDLFSPZTMQTJGR-MRVPVSSYSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1n[nH]cc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616620515 411287118 /nfs/dbraw/zinc/28/71/18/411287118.db2.gz LDLFSPZTMQTJGR-MRVPVSSYSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1cc([C@H]2COCCCN2CC[NH3+])cc[nH+]1 ZINC000616598358 411287332 /nfs/dbraw/zinc/28/73/32/411287332.db2.gz XHXFUMOLSONBBS-LLVKDONJSA-N 2 2 236.319 0.386 10 0 BCAELP Nc1cc(C2CC[NH+](CC[NH3+])CC2)cc[nH+]1 ZINC000616620309 411398510 /nfs/dbraw/zinc/39/85/10/411398510.db2.gz VIRSOQBPGGCXLC-UHFFFAOYSA-N 3 2 220.320 0.802 10 0 BCAELP CCN(C[C@H](C)C[NH3+])c1[nH+]cnc2c1cnn2C ZINC000042442219 169889900 /nfs/dbraw/zinc/88/99/00/169889900.db2.gz YTRRSTPHRYAKGH-SECBINFHSA-N 2 2 248.334 0.784 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000328209627 170022248 /nfs/dbraw/zinc/02/22/48/170022248.db2.gz UZBREHLBGKEYNO-RYUDHWBXSA-N 2 2 222.336 0.955 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cccn2)C1 ZINC000328209627 170022249 /nfs/dbraw/zinc/02/22/49/170022249.db2.gz UZBREHLBGKEYNO-RYUDHWBXSA-N 2 2 222.336 0.955 10 0 BCAELP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054628208 170061431 /nfs/dbraw/zinc/06/14/31/170061431.db2.gz JPXPVURHVFGJEX-FGWVZKOKSA-N 2 2 225.336 0.337 10 0 BCAELP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054628208 170061432 /nfs/dbraw/zinc/06/14/32/170061432.db2.gz JPXPVURHVFGJEX-FGWVZKOKSA-N 2 2 225.336 0.337 10 0 BCAELP CCNC(=O)N1CC[NH+]([C@@H](CC)CC[NH3+])CC1 ZINC000037039430 170074402 /nfs/dbraw/zinc/07/44/02/170074402.db2.gz BGYKIDLBJVFJAS-NSHDSACASA-N 2 2 242.367 0.461 10 0 BCAELP CC[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000037184565 170108234 /nfs/dbraw/zinc/10/82/34/170108234.db2.gz DPGQOFZKGFIGIX-UHFFFAOYSA-N 2 2 213.325 0.149 10 0 BCAELP CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000061270001 170139113 /nfs/dbraw/zinc/13/91/13/170139113.db2.gz WOFFEIYCGLEEQJ-QWRGUYRKSA-N 2 2 238.335 0.776 10 0 BCAELP CC[NH2+][C@H](CCn1cc[nH+]c1CC)C(=O)OC ZINC000062537301 170162522 /nfs/dbraw/zinc/16/25/22/170162522.db2.gz QFDNBWBNDSBFDI-SNVBAGLBSA-N 2 2 239.319 0.987 10 0 BCAELP CCOC(=O)N1CC[NH+]([C@H](CC)CC[NH3+])CC1 ZINC000037039447 170240039 /nfs/dbraw/zinc/24/00/39/170240039.db2.gz KECBZHAYLCVGJE-LLVKDONJSA-N 2 2 243.351 0.888 10 0 BCAELP CC[N@@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(N)n2)C1 ZINC000383806654 411857072 /nfs/dbraw/zinc/85/70/72/411857072.db2.gz OVWLOYNBVUZXEU-SECBINFHSA-N 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VMMVNLDNGXZHOZ-LLVKDONJSA-N 2 2 228.336 0.605 10 0 BCAELP CC[C@@H]1COCC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052481543 171105042 /nfs/dbraw/zinc/10/50/42/171105042.db2.gz QPVVTTGWOULOLX-SNVBAGLBSA-N 2 2 225.292 0.744 10 0 BCAELP CC[C@@H]1COCC[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052481543 171105046 /nfs/dbraw/zinc/10/50/46/171105046.db2.gz QPVVTTGWOULOLX-SNVBAGLBSA-N 2 2 225.292 0.744 10 0 BCAELP CC[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000122100335 171196553 /nfs/dbraw/zinc/19/65/53/171196553.db2.gz AOGWMLPPQCYDMK-ZDUSSCGKSA-N 2 2 248.330 0.758 10 0 BCAELP CC[C@H](C)NC(=O)CC[NH2+]CC[NH+](C)C ZINC000038014796 171322828 /nfs/dbraw/zinc/32/28/28/171322828.db2.gz XHULFJZWHVSAOI-JTQLQIEISA-N 2 2 215.341 0.442 10 0 BCAELP CC[C@H](C)[NH2+][C@@]1(CO)C[NH+]2CCC1CC2 ZINC000038116631 171347496 /nfs/dbraw/zinc/34/74/96/171347496.db2.gz YRKKGSBDRQFXNR-CMPLNLGQSA-N 2 2 212.337 0.831 10 0 BCAELP C[NH2+]CCOCCNc1cc(C)[nH+]cn1 ZINC000630531669 412292636 /nfs/dbraw/zinc/29/26/36/412292636.db2.gz YFYNLMRBWUREHH-UHFFFAOYSA-N 2 2 210.281 0.433 10 0 BCAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCN1CCOCC1 ZINC000044562686 173004506 /nfs/dbraw/zinc/00/45/06/173004506.db2.gz PKUMDBLXDBBTOP-CYBMUJFWSA-N 2 2 241.379 0.393 10 0 BCAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CCN1CCOCC1 ZINC000044562686 173004508 /nfs/dbraw/zinc/00/45/08/173004508.db2.gz PKUMDBLXDBBTOP-CYBMUJFWSA-N 2 2 241.379 0.393 10 0 BCAELP C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C[NH3+])C1 ZINC000082348637 173069236 /nfs/dbraw/zinc/06/92/36/173069236.db2.gz KQQCWBGPQUEVTQ-SECBINFHSA-N 2 2 229.324 0.496 10 0 BCAELP C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C[NH3+])C1 ZINC000082348637 173069239 /nfs/dbraw/zinc/06/92/39/173069239.db2.gz KQQCWBGPQUEVTQ-SECBINFHSA-N 2 2 229.324 0.496 10 0 BCAELP C[NH+]1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC000086115132 173087992 /nfs/dbraw/zinc/08/79/92/173087992.db2.gz VCVJDLRETCDBJU-UHFFFAOYSA-N 2 2 206.293 0.411 10 0 BCAELP C[NH+]1CCN([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037157163 173095748 /nfs/dbraw/zinc/09/57/48/173095748.db2.gz BHTFXWJZHCTUNF-NEPJUHHUSA-N 2 2 211.353 0.751 10 0 BCAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660066 173111515 /nfs/dbraw/zinc/11/15/15/173111515.db2.gz YOFKGTRXTLGWHO-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660066 173111517 /nfs/dbraw/zinc/11/15/17/173111517.db2.gz YOFKGTRXTLGWHO-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660066 173111518 /nfs/dbraw/zinc/11/15/18/173111518.db2.gz YOFKGTRXTLGWHO-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660066 173111520 /nfs/dbraw/zinc/11/15/20/173111520.db2.gz YOFKGTRXTLGWHO-QWHCGFSZSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+]1CC[C@H](NCC[NH+]2CCCCC2)C1 ZINC000061989657 173152166 /nfs/dbraw/zinc/15/21/66/173152166.db2.gz YIOVJBWBEOSTSD-LBPRGKRZSA-N 2 2 211.353 0.766 10 0 BCAELP C[N@H+]1CC[C@H](NCC[NH+]2CCCCC2)C1 ZINC000061989657 173152167 /nfs/dbraw/zinc/15/21/67/173152167.db2.gz YIOVJBWBEOSTSD-LBPRGKRZSA-N 2 2 211.353 0.766 10 0 BCAELP C[N@@H+]1CC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000042546867 173153363 /nfs/dbraw/zinc/15/33/63/173153363.db2.gz BFVMUIRCRPYGNC-LBPRGKRZSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@H+]1CC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000042546867 173153365 /nfs/dbraw/zinc/15/33/65/173153365.db2.gz BFVMUIRCRPYGNC-LBPRGKRZSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCSCC1 ZINC000334177845 173195938 /nfs/dbraw/zinc/19/59/38/173195938.db2.gz COISWBGATHWXQE-WDEREUQCSA-N 2 2 230.377 0.537 10 0 BCAELP C[N@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCSCC1 ZINC000334177845 173195940 /nfs/dbraw/zinc/19/59/40/173195940.db2.gz COISWBGATHWXQE-WDEREUQCSA-N 2 2 230.377 0.537 10 0 BCAELP CNC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042396242 173307769 /nfs/dbraw/zinc/30/77/69/173307769.db2.gz JDSSYAFEEJGTQU-QJPTWQEYSA-N 2 2 239.363 0.857 10 0 BCAELP CNC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] 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C[NH2+]C[C@H]1CC[N@H+](C2CCS(=O)(=O)CC2)C1 ZINC000053031297 173380591 /nfs/dbraw/zinc/38/05/91/173380591.db2.gz BMSHIYBDXMJCNB-SNVBAGLBSA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]Cc1occc1C[NH+]1CCOCC1 ZINC000052377798 173399555 /nfs/dbraw/zinc/39/95/55/173399555.db2.gz VCRFDZSUNPLEOA-UHFFFAOYSA-N 2 2 210.277 0.831 10 0 BCAELP COCC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)COC ZINC000042607137 174298254 /nfs/dbraw/zinc/29/82/54/174298254.db2.gz ZKKUIKUELBBYKY-ZJUUUORDSA-N 2 2 204.314 0.317 10 0 BCAELP COCC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)COC ZINC000042607137 174298257 /nfs/dbraw/zinc/29/82/57/174298257.db2.gz ZKKUIKUELBBYKY-ZJUUUORDSA-N 2 2 204.314 0.317 10 0 BCAELP COCC[NH2+]Cc1c(C)nn(C)c1-n1cc[nH+]c1 ZINC000062738546 174334955 /nfs/dbraw/zinc/33/49/55/174334955.db2.gz XTPSOTCQBVTNGV-UHFFFAOYSA-N 2 2 249.318 0.650 10 0 BCAELP COCC[C@@H]([NH3+])C[N@H+](CCOC)[C@@H](C)COC ZINC000052810945 174392120 /nfs/dbraw/zinc/39/21/20/174392120.db2.gz UEJUMBIXWZUEKE-NWDGAFQWSA-N 2 2 248.367 0.334 10 0 BCAELP COCC[C@@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)COC ZINC000052810945 174392121 /nfs/dbraw/zinc/39/21/21/174392121.db2.gz UEJUMBIXWZUEKE-NWDGAFQWSA-N 2 2 248.367 0.334 10 0 BCAELP COc1cc(OC)c([C@H]([NH3+])C[NH3+])cc1OC ZINC000035677074 175007872 /nfs/dbraw/zinc/00/78/72/175007872.db2.gz HWQFWIQNXIJJNJ-MRVPVSSYSA-N 2 2 226.276 0.671 10 0 BCAELP COc1ccc([C@H]([NH3+])C[NH3+])c(F)c1F ZINC000044473203 175192329 /nfs/dbraw/zinc/19/23/29/175192329.db2.gz QLKQJHAIKDVNOF-ZCFIWIBFSA-N 2 2 202.204 0.932 10 0 BCAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000037910361 176109556 /nfs/dbraw/zinc/10/95/56/176109556.db2.gz GBTVOZHQAWMKGD-KOLCDFICSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000037910361 176109558 /nfs/dbraw/zinc/10/95/58/176109558.db2.gz GBTVOZHQAWMKGD-KOLCDFICSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@@H]1CCC[NH2+][C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000051791984 176111978 /nfs/dbraw/zinc/11/19/78/176111978.db2.gz LFMQBDCAOWQFGP-MNOVXSKESA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1CC[NH+](CCS(C)(=O)=O)CC[C@@H](C)[NH2+]1 ZINC000049662697 176170788 /nfs/dbraw/zinc/17/07/88/176170788.db2.gz JBPRSHFAKYABCO-GHMZBOCLSA-N 2 2 248.392 0.493 10 0 BCAELP C[C@@H]1CC[N@H+](C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662292 176172057 /nfs/dbraw/zinc/17/20/57/176172057.db2.gz DVIGVFQLENFZGP-GHMZBOCLSA-N 2 2 214.309 0.086 10 0 BCAELP C[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662292 176172058 /nfs/dbraw/zinc/17/20/58/176172058.db2.gz DVIGVFQLENFZGP-GHMZBOCLSA-N 2 2 214.309 0.086 10 0 BCAELP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC000049662701 177160246 /nfs/dbraw/zinc/16/02/46/177160246.db2.gz YTSAHEQCTQWSHU-MNOVXSKESA-N 2 2 248.392 0.351 10 0 BCAELP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC000049662701 177160247 /nfs/dbraw/zinc/16/02/47/177160247.db2.gz YTSAHEQCTQWSHU-MNOVXSKESA-N 2 2 248.392 0.351 10 0 BCAELP C[C@H]1CCN(Cc2[nH+]ccn2C)[C@@H](C[NH3+])C1 ZINC000235618479 177169115 /nfs/dbraw/zinc/16/91/15/177169115.db2.gz VKFXQYYJHKKHDF-WDEREUQCSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]1CC[N@@H+]([C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000049664128 177169765 /nfs/dbraw/zinc/16/97/65/177169765.db2.gz FDEQCTDXYQYQKT-WDEREUQCSA-N 2 2 246.376 0.247 10 0 BCAELP C[C@H]1CC[N@H+]([C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000049664128 177169767 /nfs/dbraw/zinc/16/97/67/177169767.db2.gz FDEQCTDXYQYQKT-WDEREUQCSA-N 2 2 246.376 0.247 10 0 BCAELP C[C@H]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000042542791 177181254 /nfs/dbraw/zinc/18/12/54/177181254.db2.gz FHAHTUMKKAOWNJ-WDEREUQCSA-N 2 2 236.319 0.387 10 0 BCAELP C[C@H]1CC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000062256683 177181267 /nfs/dbraw/zinc/18/12/67/177181267.db2.gz QQBPAHXLRDBEBM-WDEREUQCSA-N 2 2 248.330 0.613 10 0 BCAELP C[C@H]1CN(CCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000082934736 177250583 /nfs/dbraw/zinc/25/05/83/177250583.db2.gz VZWIZFKMKQNEIV-RYUDHWBXSA-N 2 2 222.336 0.955 10 0 BCAELP C[C@H]1C[N@H+](Cc2cccnc2C[NH3+])CCN1C ZINC000104142805 177266620 /nfs/dbraw/zinc/26/66/20/177266620.db2.gz RQWYNDWVVCKXJB-NSHDSACASA-N 2 2 234.347 0.676 10 0 BCAELP C[C@H]1C[N@@H+](Cc2cccnc2C[NH3+])CCN1C ZINC000104142805 177266621 /nfs/dbraw/zinc/26/66/21/177266621.db2.gz RQWYNDWVVCKXJB-NSHDSACASA-N 2 2 234.347 0.676 10 0 BCAELP C[C@H]1C[NH2+]CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526812 177282984 /nfs/dbraw/zinc/28/29/84/177282984.db2.gz DWFNXABMEVGRAE-LBPRGKRZSA-N 3 2 225.380 0.870 10 0 BCAELP C[C@H]1C[NH2+]CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526812 177282987 /nfs/dbraw/zinc/28/29/87/177282987.db2.gz DWFNXABMEVGRAE-LBPRGKRZSA-N 3 2 225.380 0.870 10 0 BCAELP C[C@H]1COCC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052475865 177293766 /nfs/dbraw/zinc/29/37/66/177293766.db2.gz WJUYAFGFCRHDBG-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1COCC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052475865 177293767 /nfs/dbraw/zinc/29/37/67/177293767.db2.gz WJUYAFGFCRHDBG-VIFPVBQESA-N 2 2 210.277 0.959 10 0 BCAELP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000315072423 487670698 /nfs/dbraw/zinc/67/06/98/487670698.db2.gz LWYZJXWHOBPDJE-NSHDSACASA-N 3 2 222.336 0.776 10 0 BCAELP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000315072423 487670709 /nfs/dbraw/zinc/67/07/09/487670709.db2.gz LWYZJXWHOBPDJE-NSHDSACASA-N 3 2 222.336 0.776 10 0 BCAELP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000250423331 487731915 /nfs/dbraw/zinc/73/19/15/487731915.db2.gz ZXQUYAWYGYMCHF-USZNOCQGSA-N 2 2 237.347 0.134 10 0 BCAELP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000250423331 487731924 /nfs/dbraw/zinc/73/19/24/487731924.db2.gz ZXQUYAWYGYMCHF-USZNOCQGSA-N 2 2 237.347 0.134 10 0 BCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000089460279 487822422 /nfs/dbraw/zinc/82/24/22/487822422.db2.gz ZDWMLPKRQGQDAX-GHMZBOCLSA-N 2 2 236.319 0.374 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000089460284 487822444 /nfs/dbraw/zinc/82/24/44/487822444.db2.gz ZDWMLPKRQGQDAX-WDEREUQCSA-N 2 2 236.319 0.374 10 0 BCAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000089462057 487823753 /nfs/dbraw/zinc/82/37/53/487823753.db2.gz YUWHRBHLJXGEFP-MNOVXSKESA-N 2 2 248.330 0.600 10 0 BCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000089462055 487823948 /nfs/dbraw/zinc/82/39/48/487823948.db2.gz YUWHRBHLJXGEFP-GHMZBOCLSA-N 2 2 248.330 0.600 10 0 BCAELP C[N@@H+]1CCN(c2nc3ccccc3o2)[C@H](C[NH3+])C1 ZINC000122810889 324058384 /nfs/dbraw/zinc/05/83/84/324058384.db2.gz LDARRHAPUGEZQU-SNVBAGLBSA-N 2 2 246.314 0.907 10 0 BCAELP C[N@H+]1CCN(c2nc3ccccc3o2)[C@H](C[NH3+])C1 ZINC000122810889 324058387 /nfs/dbraw/zinc/05/83/87/324058387.db2.gz LDARRHAPUGEZQU-SNVBAGLBSA-N 2 2 246.314 0.907 10 0 BCAELP CCn1cc[nH+]c1Cn1cc(CCC[NH3+])nn1 ZINC000229838477 487971126 /nfs/dbraw/zinc/97/11/26/487971126.db2.gz NZXRNKWTQXRYLY-UHFFFAOYSA-N 2 2 234.307 0.434 10 0 BCAELP Cc1[nH+]cc(C[NH2+]C[C@H]2CN(C)CCO2)n1C ZINC000566690374 326075355 /nfs/dbraw/zinc/07/53/55/326075355.db2.gz OKPIYYZEUSRHBV-LBPRGKRZSA-N 2 2 238.335 0.149 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000084311428 488044690 /nfs/dbraw/zinc/04/46/90/488044690.db2.gz PDCGEKPGLACRCZ-WCBMZHEXSA-N 2 2 222.292 0.401 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000084311428 488044694 /nfs/dbraw/zinc/04/46/94/488044694.db2.gz PDCGEKPGLACRCZ-WCBMZHEXSA-N 2 2 222.292 0.401 10 0 BCAELP C[N@@H+]1CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757144641 582525226 /nfs/dbraw/zinc/52/52/26/582525226.db2.gz GKIGFKJATOQAJS-LBPRGKRZSA-N 2 2 226.320 0.577 10 0 BCAELP C[N@H+]1CCC[C@]2(CC1)[NH2+]C1(COC1)CCO2 ZINC000757144641 582525228 /nfs/dbraw/zinc/52/52/28/582525228.db2.gz GKIGFKJATOQAJS-LBPRGKRZSA-N 2 2 226.320 0.577 10 0 BCAELP COC[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757148910 582532992 /nfs/dbraw/zinc/53/29/92/582532992.db2.gz OMMVDWGZCXPEGS-NSHDSACASA-N 2 2 240.347 0.966 10 0 BCAELP C[C@H](C[C@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757163171 582545510 /nfs/dbraw/zinc/54/55/10/582545510.db2.gz YTXCTOUBARVPIK-OPRDCNLKSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@H](C[C@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]1C(N)=O ZINC000757163171 582545512 /nfs/dbraw/zinc/54/55/12/582545512.db2.gz YTXCTOUBARVPIK-OPRDCNLKSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400585270 533898207 /nfs/dbraw/zinc/89/82/07/533898207.db2.gz RWTHPPRITNYIRZ-RNJXMRFFSA-N 2 2 226.242 0.640 10 0 BCAELP [NH3+]Cc1nc([C@H]([NH3+])c2ccc(F)cc2)no1 ZINC000095532885 527265551 /nfs/dbraw/zinc/26/55/51/527265551.db2.gz PAKFIHWFBBPZPU-SECBINFHSA-N 2 2 222.223 0.716 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261562743 534967541 /nfs/dbraw/zinc/96/75/41/534967541.db2.gz WNYLNDDBTVBXNQ-ZDUSSCGKSA-N 2 2 239.363 0.539 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261562743 534967544 /nfs/dbraw/zinc/96/75/44/534967544.db2.gz WNYLNDDBTVBXNQ-ZDUSSCGKSA-N 2 2 239.363 0.539 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261534982 535095575 /nfs/dbraw/zinc/09/55/75/535095575.db2.gz VBZTXGYQSWWLDT-GHMZBOCLSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000261534982 535095579 /nfs/dbraw/zinc/09/55/79/535095579.db2.gz VBZTXGYQSWWLDT-GHMZBOCLSA-N 2 2 248.392 0.479 10 0 BCAELP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562328 535116838 /nfs/dbraw/zinc/11/68/38/535116838.db2.gz WFCZDPQBAMDUQK-QWRGUYRKSA-N 2 2 241.379 0.960 10 0 BCAELP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562328 535116844 /nfs/dbraw/zinc/11/68/44/535116844.db2.gz WFCZDPQBAMDUQK-QWRGUYRKSA-N 2 2 241.379 0.960 10 0 BCAELP CC[C@](C)(O)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249129682 535847673 /nfs/dbraw/zinc/84/76/73/535847673.db2.gz RXQLWNOIPSFWHA-RYUDHWBXSA-N 2 2 230.352 0.410 10 0 BCAELP CC[C@](C)(O)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249129682 535847678 /nfs/dbraw/zinc/84/76/78/535847678.db2.gz RXQLWNOIPSFWHA-RYUDHWBXSA-N 2 2 230.352 0.410 10 0 BCAELP CNC(=O)c1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261958371 536423412 /nfs/dbraw/zinc/42/34/12/536423412.db2.gz GWPRCAQZEDKQEE-GXFFZTMASA-N 2 2 247.342 0.825 10 0 BCAELP CNC(=O)c1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261958371 536423416 /nfs/dbraw/zinc/42/34/16/536423416.db2.gz GWPRCAQZEDKQEE-GXFFZTMASA-N 2 2 247.342 0.825 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261536763 536631361 /nfs/dbraw/zinc/63/13/61/536631361.db2.gz SVBMWEGJIGFTAR-QEYWKRMJSA-N 2 2 212.293 0.217 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261536763 536631367 /nfs/dbraw/zinc/63/13/67/536631367.db2.gz SVBMWEGJIGFTAR-QEYWKRMJSA-N 2 2 212.293 0.217 10 0 BCAELP COC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000262363047 536672501 /nfs/dbraw/zinc/67/25/01/536672501.db2.gz VUNDWJXFPAPMJP-SNVBAGLBSA-N 2 2 248.286 0.555 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+]1C[C@@H]1OCCC12CCC2 ZINC000757144992 582526270 /nfs/dbraw/zinc/52/62/70/582526270.db2.gz JXSVAECRUCLLDI-MNOVXSKESA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+]1C[C@@H]1OCCC12CCC2 ZINC000757144992 582526271 /nfs/dbraw/zinc/52/62/71/582526271.db2.gz JXSVAECRUCLLDI-MNOVXSKESA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+]1C[C@H]1OCCC12CCC2 ZINC000757144989 582526390 /nfs/dbraw/zinc/52/63/90/582526390.db2.gz JXSVAECRUCLLDI-GHMZBOCLSA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+]1C[C@H]1OCCC12CCC2 ZINC000757144989 582526391 /nfs/dbraw/zinc/52/63/91/582526391.db2.gz JXSVAECRUCLLDI-GHMZBOCLSA-N 2 2 210.321 0.979 10 0 BCAELP Cc1cc(N)nc(N2CCn3cc[nH+]c3C2)[nH+]1 ZINC000892241159 582812508 /nfs/dbraw/zinc/81/25/08/582812508.db2.gz UVBFVLPYRDOKHQ-UHFFFAOYSA-N 2 2 230.275 0.584 10 0 BCAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)C(=O)OCC ZINC000045432037 582878130 /nfs/dbraw/zinc/87/81/30/582878130.db2.gz FCWVETSTWAAVMS-VIFPVBQESA-N 2 2 211.265 0.424 10 0 BCAELP C[NH2+][C@](C)(CCCn1cc[nH+]c1)C(N)=O ZINC000045431757 582878339 /nfs/dbraw/zinc/87/83/39/582878339.db2.gz IEYUPVMXXAISTQ-SNVBAGLBSA-N 2 2 210.281 0.127 10 0 BCAELP CC[NH2+][C@@](C)(Cn1cc[nH+]c1)C(=O)OC ZINC000045432196 582878502 /nfs/dbraw/zinc/87/85/02/582878502.db2.gz RJJWQVRWHURALC-JTQLQIEISA-N 2 2 211.265 0.424 10 0 BCAELP COC(=O)[C@H]([NH3+])Cn1cc[nH+]c1C1CC1 ZINC000704212778 582941668 /nfs/dbraw/zinc/94/16/68/582941668.db2.gz KTTPHVVLTHVFRM-MRVPVSSYSA-N 2 2 209.249 0.261 10 0 BCAELP Cn1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)c1 ZINC000395039444 583032412 /nfs/dbraw/zinc/03/24/12/583032412.db2.gz JCDSPCBMRDCOKK-ZDUSSCGKSA-N 2 2 237.347 0.571 10 0 BCAELP Cn1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)c1 ZINC000395039444 583032413 /nfs/dbraw/zinc/03/24/13/583032413.db2.gz JCDSPCBMRDCOKK-ZDUSSCGKSA-N 2 2 237.347 0.571 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000395114182 583042825 /nfs/dbraw/zinc/04/28/25/583042825.db2.gz KHSHUOGPZYQNAX-AGIUHOORSA-N 2 2 242.363 0.600 10 0 BCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000395114182 583042827 /nfs/dbraw/zinc/04/28/27/583042827.db2.gz KHSHUOGPZYQNAX-AGIUHOORSA-N 2 2 242.363 0.600 10 0 BCAELP C[NH2+][C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]2C(N)=O)C1 ZINC000757159575 586430608 /nfs/dbraw/zinc/43/06/08/586430608.db2.gz QLNJFLFETLCMRE-OPRDCNLKSA-N 2 2 211.309 0.077 10 0 BCAELP C[NH2+][C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]2C(N)=O)C1 ZINC000757159575 586430609 /nfs/dbraw/zinc/43/06/09/586430609.db2.gz QLNJFLFETLCMRE-OPRDCNLKSA-N 2 2 211.309 0.077 10 0 BCAELP CCOC(=O)[C@H]1C[NH2+]C[C@@]12C[NH+]1CCC2CC1 ZINC000757185195 586434038 /nfs/dbraw/zinc/43/40/38/586434038.db2.gz PTYBXFZADXKXOF-YPMHNXCESA-N 2 2 238.331 0.481 10 0 BCAELP [NH3+]Cc1cccc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])c1 ZINC000757215169 586440225 /nfs/dbraw/zinc/44/02/25/586440225.db2.gz NIOPPBSWFWPYQV-RYUDHWBXSA-N 3 2 205.305 0.897 10 0 BCAELP [NH3+]Cc1ccc([C@H]2[NH2+]CCC[C@H]2[NH3+])cc1 ZINC000757216543 586441067 /nfs/dbraw/zinc/44/10/67/586441067.db2.gz QGNAMZHSMPCNPH-VXGBXAGGSA-N 3 2 205.305 0.897 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@H]([NH3+])C[C@H]2C)cn1 ZINC000757227134 586442604 /nfs/dbraw/zinc/44/26/04/586442604.db2.gz AWQHMMSGRMIVMH-FBIMIBRVSA-N 2 2 208.309 0.901 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226345859 635430555 /nfs/dbraw/zinc/43/05/55/635430555.db2.gz KMQZFELZPCJJOS-UPJWGTAASA-N 2 2 244.379 0.832 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226345859 635430566 /nfs/dbraw/zinc/43/05/66/635430566.db2.gz KMQZFELZPCJJOS-UPJWGTAASA-N 2 2 244.379 0.832 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000169275313 633161353 /nfs/dbraw/zinc/16/13/53/633161353.db2.gz ARWUDXXHZAFQNH-VXGBXAGGSA-N 2 2 230.352 0.456 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)COC(C)C ZINC000169275313 633161357 /nfs/dbraw/zinc/16/13/57/633161357.db2.gz ARWUDXXHZAFQNH-VXGBXAGGSA-N 2 2 230.352 0.456 10 0 BCAELP CCCCOC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310309332 634111829 /nfs/dbraw/zinc/11/18/29/634111829.db2.gz DJFMMEOTFNNHQH-QJPTWQEYSA-N 2 2 240.347 0.999 10 0 BCAELP CCCCOC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310309332 634111824 /nfs/dbraw/zinc/11/18/24/634111824.db2.gz DJFMMEOTFNNHQH-QJPTWQEYSA-N 2 2 240.347 0.999 10 0 BCAELP C[C@H]([NH3+])CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000258766601 635197582 /nfs/dbraw/zinc/19/75/82/635197582.db2.gz QEIVMSQRGBHRNU-QMMMGPOBSA-N 2 2 221.308 0.834 10 0 BCAELP c1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)O2 ZINC000086728899 636888777 /nfs/dbraw/zinc/88/87/77/636888777.db2.gz NVMZPDKQCOIPER-RYUDHWBXSA-N 2 2 218.300 0.942 10 0 BCAELP COC(=O)[C@](C)([NH3+])CCCCn1cc[nH+]c1 ZINC000045431661 640556858 /nfs/dbraw/zinc/55/68/58/640556858.db2.gz PNWMUFJRWMMZOD-LLVKDONJSA-N 2 2 225.292 0.944 10 0 BCAELP C[NH2+][C@H](CCn1cc[nH+]c1C)C(=O)OC ZINC000062535118 641057858 /nfs/dbraw/zinc/05/78/58/641057858.db2.gz VEBORHVKAUVVOH-SECBINFHSA-N 2 2 211.265 0.343 10 0 BCAELP CC[NH2+][C@@](Cn1cc[nH+]c1)(C(N)=O)C1CC1 ZINC000068943064 642811970 /nfs/dbraw/zinc/81/19/70/642811970.db2.gz SGIOASLBRUTWDD-LLVKDONJSA-N 2 2 222.292 0.127 10 0 BCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000252954916 643146994 /nfs/dbraw/zinc/14/69/94/643146994.db2.gz IDYGZLLCOBWVJW-YVECIDJPSA-N 2 2 242.363 0.911 10 0 BCAELP CC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC000082800139 643381924 /nfs/dbraw/zinc/38/19/24/643381924.db2.gz AHRRNGUOKZLSCR-KOLCDFICSA-N 2 2 224.308 0.688 10 0 BCAELP CCCc1[nH+]ccn1C[C@H]([NH3+])C(=O)OCC ZINC000069964579 643452158 /nfs/dbraw/zinc/45/21/58/643452158.db2.gz ZNGOBXSRMFQPFA-VIFPVBQESA-N 2 2 225.292 0.726 10 0 BCAELP NC(=O)[C@@]1([NH3+])CCC[C@H]1CCn1cc[nH+]c1 ZINC000086547933 644147604 /nfs/dbraw/zinc/14/76/04/644147604.db2.gz DAUUCBGDDDJHMM-GXSJLCMTSA-N 2 2 222.292 0.256 10 0 BCAELP CC[NH2+][C@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626566 644156411 /nfs/dbraw/zinc/15/64/11/644156411.db2.gz YRAYZJDGHIFMQB-MWLCHTKSSA-N 2 2 222.292 0.442 10 0 BCAELP C[C@@](CCn1cc[nH+]c1)([NH2+]C1CC1)C(N)=O ZINC000084507774 644426727 /nfs/dbraw/zinc/42/67/27/644426727.db2.gz KMCARJRMKQZKAX-NSHDSACASA-N 2 2 222.292 0.269 10 0 BCAELP CN(C)c1cc(N[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000258719702 711741598 /nfs/dbraw/zinc/74/15/98/711741598.db2.gz UCJCIWLUJSMWHL-VIFPVBQESA-N 2 2 221.308 0.707 10 0 BCAELP CO[C@@H]1C[N@H+](CCOC2CC2)[C@](C)(C[NH3+])C1 ZINC000711776068 712327838 /nfs/dbraw/zinc/32/78/38/712327838.db2.gz DWVQFGCQMAYFFC-RYUDHWBXSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@@H+](CCOC2CC2)[C@](C)(C[NH3+])C1 ZINC000711776068 712327839 /nfs/dbraw/zinc/32/78/39/712327839.db2.gz DWVQFGCQMAYFFC-RYUDHWBXSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]1C[NH2+]C[C@H]1CNc1[nH+]cnc2c1cnn2C ZINC000723801796 710733496 /nfs/dbraw/zinc/73/34/96/710733496.db2.gz OOAGOTOKWAOOIO-BDAKNGLRSA-N 2 2 246.318 0.631 10 0 BCAELP CN(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000258719701 711741705 /nfs/dbraw/zinc/74/17/05/711741705.db2.gz UCJCIWLUJSMWHL-SECBINFHSA-N 2 2 221.308 0.707 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000708939463 712203703 /nfs/dbraw/zinc/20/37/03/712203703.db2.gz DLAQLUZYYYSHGY-GRYCIOLGSA-N 2 2 228.336 0.604 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000708939463 712203706 /nfs/dbraw/zinc/20/37/06/712203706.db2.gz DLAQLUZYYYSHGY-GRYCIOLGSA-N 2 2 228.336 0.604 10 0 BCAELP C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)[C@H]1CCC[NH2+]C1 ZINC000720606249 712857733 /nfs/dbraw/zinc/85/77/33/712857733.db2.gz KEZFSFYFCCEEPO-VWYCJHECSA-N 2 2 237.351 0.854 10 0 BCAELP COC(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720765930 712864212 /nfs/dbraw/zinc/86/42/12/712864212.db2.gz DLWPWEBDOPBFIM-MRVPVSSYSA-N 2 2 200.282 0.219 10 0 BCAELP COC(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720765930 712864214 /nfs/dbraw/zinc/86/42/14/712864214.db2.gz DLWPWEBDOPBFIM-MRVPVSSYSA-N 2 2 200.282 0.219 10 0 BCAELP CCCN1CC[C@@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 ZINC000685953487 538897842 /nfs/dbraw/zinc/89/78/42/538897842.db2.gz HTVPHQJOTMNBKU-OLZOCXBDSA-N 2 2 223.364 0.894 10 0 BCAELP CCCN1CC[C@@H]([NH3+])[C@]12C[NH+]1CCC2CC1 ZINC000685953484 538898271 /nfs/dbraw/zinc/89/82/71/538898271.db2.gz HTVPHQJOTMNBKU-CHWSQXEVSA-N 2 2 223.364 0.894 10 0 BCAELP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C ZINC000685955282 538900971 /nfs/dbraw/zinc/90/09/71/538900971.db2.gz XFCNEQANKORRCX-LLVKDONJSA-N 3 2 211.353 0.894 10 0 BCAELP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C ZINC000685955282 538900972 /nfs/dbraw/zinc/90/09/72/538900972.db2.gz XFCNEQANKORRCX-LLVKDONJSA-N 3 2 211.353 0.894 10 0 BCAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCSC[C@@H](C)C1 ZINC000307361807 398138353 /nfs/dbraw/zinc/13/83/53/398138353.db2.gz HZXCLSCTFSWIEO-JGVFFNPUSA-N 2 2 201.339 0.996 10 0 BCAELP C[C@H](C(N)=[NH2+])[N@H+]1CCSC[C@@H](C)C1 ZINC000307361807 398138355 /nfs/dbraw/zinc/13/83/55/398138355.db2.gz HZXCLSCTFSWIEO-JGVFFNPUSA-N 2 2 201.339 0.996 10 0 BCAELP CC[N@@H+]1CCO[C@@H](Cn2c[nH+]c(N)c2)C1 ZINC000685964198 538911151 /nfs/dbraw/zinc/91/11/51/538911151.db2.gz LECSOOMEDPOAJH-SECBINFHSA-N 2 2 210.281 0.186 10 0 BCAELP CC[N@H+]1CCO[C@@H](Cn2c[nH+]c(N)c2)C1 ZINC000685964198 538911153 /nfs/dbraw/zinc/91/11/53/538911153.db2.gz LECSOOMEDPOAJH-SECBINFHSA-N 2 2 210.281 0.186 10 0 BCAELP CC(C)[NH2+]CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254846 349462481 /nfs/dbraw/zinc/46/24/81/349462481.db2.gz JFZAESCZTDYWOS-UHFFFAOYSA-N 2 2 236.319 0.613 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000380106241 398186268 /nfs/dbraw/zinc/18/62/68/398186268.db2.gz JTBXQEZJLZIIAD-SNVBAGLBSA-N 2 2 236.319 0.900 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000380225452 398191470 /nfs/dbraw/zinc/19/14/70/398191470.db2.gz NZKWIKVYOODRHC-VHSXEESVSA-N 2 2 236.319 0.709 10 0 BCAELP Nc1[nH+]cccc1[C@H]1CCCN(CC[NH3+])C1 ZINC000616622027 398206903 /nfs/dbraw/zinc/20/69/03/398206903.db2.gz YKIGAFWGRWVNCJ-JTQLQIEISA-N 2 2 220.320 0.802 10 0 BCAELP Cc1cc(NCC[NH+]2CCOCC2)[nH+]cc1N ZINC000036244984 178161772 /nfs/dbraw/zinc/16/17/72/178161772.db2.gz ACPNFTHALZKIDE-UHFFFAOYSA-N 2 2 236.319 0.716 10 0 BCAELP OC[C@@H]1C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000378771619 346828279 /nfs/dbraw/zinc/82/82/79/346828279.db2.gz GAFMKZAUSMJJOB-GXSJLCMTSA-N 2 2 217.272 0.805 10 0 BCAELP OCC[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000379467701 538977614 /nfs/dbraw/zinc/97/76/14/538977614.db2.gz YUMJBTMRKKTJFO-UHFFFAOYSA-N 2 2 241.360 0.689 10 0 BCAELP C[C@H]1OCC[C@@]1(C[NH3+])[NH+]1CCSCC1 ZINC000134405482 342837760 /nfs/dbraw/zinc/83/77/60/342837760.db2.gz BPPICVYOSSFUFD-ZJUUUORDSA-N 2 2 216.350 0.542 10 0 BCAELP [NH3+]C[C@]1([NH2+]Cc2ccccc2)CCOC1 ZINC000083764318 343665114 /nfs/dbraw/zinc/66/51/14/343665114.db2.gz WHCQBNRDMASYIG-GFCCVEGCSA-N 2 2 206.289 0.894 10 0 BCAELP CCc1nc(N2CCN(C)C[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000381053289 343914270 /nfs/dbraw/zinc/91/42/70/343914270.db2.gz RXWKPGCXKPGJQH-NSHDSACASA-N 2 2 249.362 0.427 10 0 BCAELP CC1(C)C[N@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000310158506 344247278 /nfs/dbraw/zinc/24/72/78/344247278.db2.gz LBTZDYLUXDVQKL-NSHDSACASA-N 2 2 239.363 0.668 10 0 BCAELP CC1(C)C[N@@H+](CC(=O)N2CCCC2)CC[C@@H]1[NH3+] ZINC000310158506 344247280 /nfs/dbraw/zinc/24/72/80/344247280.db2.gz LBTZDYLUXDVQKL-NSHDSACASA-N 2 2 239.363 0.668 10 0 BCAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CC1)OCCO2 ZINC000043822788 344257392 /nfs/dbraw/zinc/25/73/92/344257392.db2.gz ZQFVRGNIQXCWBB-RYUDHWBXSA-N 2 2 240.347 0.964 10 0 BCAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CC1)OCCO2 ZINC000043822788 344257395 /nfs/dbraw/zinc/25/73/95/344257395.db2.gz ZQFVRGNIQXCWBB-RYUDHWBXSA-N 2 2 240.347 0.964 10 0 BCAELP O=C(NCc1c[nH+]c[nH]1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770750 344284781 /nfs/dbraw/zinc/28/47/81/344284781.db2.gz WMYIQXHZAPRNIE-CABZTGNLSA-N 2 2 234.303 0.416 10 0 BCAELP O=C(NCc1c[nH]c[nH+]1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770750 344284783 /nfs/dbraw/zinc/28/47/83/344284783.db2.gz WMYIQXHZAPRNIE-CABZTGNLSA-N 2 2 234.303 0.416 10 0 BCAELP CCc1nc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc(C)[nH+]1 ZINC000634811001 344395971 /nfs/dbraw/zinc/39/59/71/344395971.db2.gz PTVRCFRXBMLTHA-WDEREUQCSA-N 2 2 248.330 0.524 10 0 BCAELP CO[C@H]1CC[N@H+](C[C@@H]2CSCC[NH2+]2)C1 ZINC000234880492 344435742 /nfs/dbraw/zinc/43/57/42/344435742.db2.gz QEUHDCPBDNPJHC-ZJUUUORDSA-N 2 2 216.350 0.412 10 0 BCAELP CO[C@H]1CC[N@@H+](C[C@@H]2CSCC[NH2+]2)C1 ZINC000234880492 344435743 /nfs/dbraw/zinc/43/57/43/344435743.db2.gz QEUHDCPBDNPJHC-ZJUUUORDSA-N 2 2 216.350 0.412 10 0 BCAELP Cn1c(Cl)ncc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077708 537895704 /nfs/dbraw/zinc/89/57/04/537895704.db2.gz HNWPFNPTPYUJPO-SSDOTTSWSA-N 2 2 212.684 0.387 10 0 BCAELP CCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378596 537969168 /nfs/dbraw/zinc/96/91/68/537969168.db2.gz IRCIXNSEHVHWTL-NEPJUHHUSA-N 3 2 213.369 0.903 10 0 BCAELP CCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378596 537969176 /nfs/dbraw/zinc/96/91/76/537969176.db2.gz IRCIXNSEHVHWTL-NEPJUHHUSA-N 3 2 213.369 0.903 10 0 BCAELP CC1CC[NH+](C[C@@H]2C[NH2+]C[C@H](C[NH3+])C2)CC1 ZINC000669378959 537973495 /nfs/dbraw/zinc/97/34/95/537973495.db2.gz QJOIWDAKJMTLJP-STQMWFEESA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]C[C@H](C[NH3+])C2)C1 ZINC000669379166 537975249 /nfs/dbraw/zinc/97/52/49/537975249.db2.gz VIQATLCVBCOVMM-FRRDWIJNSA-N 3 2 225.380 0.903 10 0 BCAELP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]C[C@H](C[NH3+])C2)C1 ZINC000669379166 537975256 /nfs/dbraw/zinc/97/52/56/537975256.db2.gz VIQATLCVBCOVMM-FRRDWIJNSA-N 3 2 225.380 0.903 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325891 347210208 /nfs/dbraw/zinc/21/02/08/347210208.db2.gz HCJFQQSXCRKWLQ-UTLUCORTSA-N 2 2 214.309 0.465 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325891 347210210 /nfs/dbraw/zinc/21/02/10/347210210.db2.gz HCJFQQSXCRKWLQ-UTLUCORTSA-N 2 2 214.309 0.465 10 0 BCAELP C[N@H+](C[C@@H]1CCOCO1)[C@H]1CC[NH2+]C1 ZINC000250370375 362801038 /nfs/dbraw/zinc/80/10/38/362801038.db2.gz HCGZZLSKQNOLQZ-UWVGGRQHSA-N 2 2 200.282 0.043 10 0 BCAELP C[N@@H+](C[C@@H]1CCOCO1)[C@H]1CC[NH2+]C1 ZINC000250370375 362801041 /nfs/dbraw/zinc/80/10/41/362801041.db2.gz HCGZZLSKQNOLQZ-UWVGGRQHSA-N 2 2 200.282 0.043 10 0 BCAELP C[N@@H+]1CCN([C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000250376664 362802226 /nfs/dbraw/zinc/80/22/26/362802226.db2.gz KSVJACVTLVVPOD-VHSXEESVSA-N 2 2 215.366 0.067 10 0 BCAELP C[N@H+]1CCN([C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000250376664 362802231 /nfs/dbraw/zinc/80/22/31/362802231.db2.gz KSVJACVTLVVPOD-VHSXEESVSA-N 2 2 215.366 0.067 10 0 BCAELP C[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCSC1 ZINC000250492850 362806203 /nfs/dbraw/zinc/80/62/03/362806203.db2.gz YLEZZEGXKCKGNP-UWVGGRQHSA-N 2 2 216.350 0.412 10 0 BCAELP C[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCSC1 ZINC000250492850 362806209 /nfs/dbraw/zinc/80/62/09/362806209.db2.gz YLEZZEGXKCKGNP-UWVGGRQHSA-N 2 2 216.350 0.412 10 0 BCAELP C[NH+](C)Cc1nc(Cl)c2c(n1)CC[NH2+]C2 ZINC000616569500 347696676 /nfs/dbraw/zinc/69/66/76/347696676.db2.gz VHOUCSQTHHYOOC-UHFFFAOYSA-N 2 2 226.711 0.837 10 0 BCAELP CC(C)(C)[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669381937 538000021 /nfs/dbraw/zinc/00/00/21/538000021.db2.gz AYNOKUHCDRNPPX-SECBINFHSA-N 2 2 222.279 0.734 10 0 BCAELP Cc1ccc[nH+]c1N1CCCN(CC[NH3+])CC1 ZINC000051040736 179388524 /nfs/dbraw/zinc/38/85/24/179388524.db2.gz ZJOQVQXTXZSTBM-UHFFFAOYSA-N 2 2 234.347 0.861 10 0 BCAELP CCC[N@@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246170 538004446 /nfs/dbraw/zinc/00/44/46/538004446.db2.gz RAKAGSFUBMEEPT-JQWIXIFHSA-N 2 2 210.321 0.897 10 0 BCAELP CCC[N@H+]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246170 538004453 /nfs/dbraw/zinc/00/44/53/538004453.db2.gz RAKAGSFUBMEEPT-JQWIXIFHSA-N 2 2 210.321 0.897 10 0 BCAELP C[C@H]1C[NH2+]C[C@@]12C[N@H+](CC1CC1)CCC2=O ZINC000725246176 538005222 /nfs/dbraw/zinc/00/52/22/538005222.db2.gz RECVREKVRVPUGT-GXFFZTMASA-N 2 2 222.332 0.897 10 0 BCAELP C[C@H]1C[NH2+]C[C@@]12C[N@@H+](CC1CC1)CCC2=O ZINC000725246176 538005227 /nfs/dbraw/zinc/00/52/27/538005227.db2.gz RECVREKVRVPUGT-GXFFZTMASA-N 2 2 222.332 0.897 10 0 BCAELP C[C@H](CO)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616578649 349126169 /nfs/dbraw/zinc/12/61/69/349126169.db2.gz PAMZZMWPSWLFCZ-MWLCHTKSSA-N 2 2 210.321 0.584 10 0 BCAELP COCC[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616579230 349136679 /nfs/dbraw/zinc/13/66/79/349136679.db2.gz RLYGIVVMAOBXGA-NSHDSACASA-N 2 2 210.321 0.849 10 0 BCAELP Cc1nc(NCCN2CC[NH2+]CC2)cc[nH+]1 ZINC000054936745 180197982 /nfs/dbraw/zinc/19/79/82/180197982.db2.gz KZXBYEZSDCSUST-UHFFFAOYSA-N 2 2 221.308 0.102 10 0 BCAELP Cc1nn(Cc2[nH+]ccn2C)c(C)c1C[NH3+] ZINC000036868304 180391987 /nfs/dbraw/zinc/39/19/87/180391987.db2.gz WQQDWPVNQDIAOG-UHFFFAOYSA-N 2 2 219.292 0.740 10 0 BCAELP OCC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000163186150 350512755 /nfs/dbraw/zinc/51/27/55/350512755.db2.gz DPMSGMDMODZWKV-LBPRGKRZSA-N 2 2 223.320 0.978 10 0 BCAELP OCC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000163186150 350512759 /nfs/dbraw/zinc/51/27/59/350512759.db2.gz DPMSGMDMODZWKV-LBPRGKRZSA-N 2 2 223.320 0.978 10 0 BCAELP Nc1[nH+]cccc1[C@H]1CCN(CC[NH3+])CCO1 ZINC000616595553 350609086 /nfs/dbraw/zinc/60/90/86/350609086.db2.gz NGYVXAZDUVWBLY-LLVKDONJSA-N 2 2 236.319 0.386 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cc[nH]n2)C1 ZINC000616604869 350793265 /nfs/dbraw/zinc/79/32/65/350793265.db2.gz RNLQRQVVMSKEOI-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cc[nH]n2)C1 ZINC000616604869 350793266 /nfs/dbraw/zinc/79/32/66/350793266.db2.gz RNLQRQVVMSKEOI-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP NC(=O)c1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000616619116 350926691 /nfs/dbraw/zinc/92/66/91/350926691.db2.gz DKXLOBYOLXESJH-UHFFFAOYSA-N 2 2 247.342 0.924 10 0 BCAELP OCC[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616627781 351096387 /nfs/dbraw/zinc/09/63/87/351096387.db2.gz NJCDNEKKJZPWKN-JTQLQIEISA-N 2 2 209.293 0.972 10 0 BCAELP OCC[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 ZINC000616627781 351096390 /nfs/dbraw/zinc/09/63/90/351096390.db2.gz NJCDNEKKJZPWKN-JTQLQIEISA-N 2 2 209.293 0.972 10 0 BCAELP [NH3+]CCN1CCCOC[C@@H]1c1[nH]cc[nH+]1 ZINC000616645155 351166773 /nfs/dbraw/zinc/16/67/73/351166773.db2.gz GVEMXWINRALNNC-SECBINFHSA-N 2 2 210.281 0.132 10 0 BCAELP OCC[N@@H+]1CCCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616654916 351191643 /nfs/dbraw/zinc/19/16/43/351191643.db2.gz SHBOVATWRBCGNT-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP OCC[N@H+]1CCCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616654916 351191646 /nfs/dbraw/zinc/19/16/46/351191646.db2.gz SHBOVATWRBCGNT-SNVBAGLBSA-N 2 2 209.293 0.972 10 0 BCAELP [NH3+]CCN1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666330 351225845 /nfs/dbraw/zinc/22/58/45/351225845.db2.gz ONINERGINGTHFT-GFCCVEGCSA-N 2 2 236.319 0.501 10 0 BCAELP Clc1nccc(C[NH2+]C[C@H]2CC[NH2+]C2)n1 ZINC000095070141 180601546 /nfs/dbraw/zinc/60/15/46/180601546.db2.gz IUWGCSXKNKBVDK-QMMMGPOBSA-N 2 2 226.711 0.829 10 0 BCAELP C[N@@H+]1CCN(c2ccccn2)[C@@H](C[NH3+])C1 ZINC000226622807 363126096 /nfs/dbraw/zinc/12/60/96/363126096.db2.gz MNXLSLBEMPOWCB-JTQLQIEISA-N 2 2 206.293 0.161 10 0 BCAELP C[N@H+]1CCN(c2ccccn2)[C@@H](C[NH3+])C1 ZINC000226622807 363126102 /nfs/dbraw/zinc/12/61/02/363126102.db2.gz MNXLSLBEMPOWCB-JTQLQIEISA-N 2 2 206.293 0.161 10 0 BCAELP C[NH+](C)C[C@H]1COC[C@@H]1[NH+]1CCC(O)CC1 ZINC000725273896 538104796 /nfs/dbraw/zinc/10/47/96/538104796.db2.gz RAWZMNYEDQSYST-JQWIXIFHSA-N 2 2 228.336 0.020 10 0 BCAELP C1C[C@@H]2[C@H]([NH2+][C@@H]3CN4CCC3CC4)CC[N@@H+]2C1 ZINC000037169103 188113370 /nfs/dbraw/zinc/11/33/70/188113370.db2.gz OXZYWGOQEYKTCG-MGPQQGTHSA-N 2 2 235.375 0.907 10 0 BCAELP C1C[C@@H]2[C@H]([NH2+][C@@H]3CN4CCC3CC4)CC[N@H+]2C1 ZINC000037169103 188113371 /nfs/dbraw/zinc/11/33/71/188113371.db2.gz OXZYWGOQEYKTCG-MGPQQGTHSA-N 2 2 235.375 0.907 10 0 BCAELP CC(=O)N1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042681270 188120629 /nfs/dbraw/zinc/12/06/29/188120629.db2.gz DKTVSKATQFXZKF-NWDGAFQWSA-N 2 2 225.336 0.420 10 0 BCAELP CC(=O)N1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042681270 188120631 /nfs/dbraw/zinc/12/06/31/188120631.db2.gz DKTVSKATQFXZKF-NWDGAFQWSA-N 2 2 225.336 0.420 10 0 BCAELP CC(=O)N1CCC[N@@H+](CCC[NH2+]C(C)C)CC1 ZINC000042681338 188121077 /nfs/dbraw/zinc/12/10/77/188121077.db2.gz ROZTWCYGFIFNQL-UHFFFAOYSA-N 2 2 241.379 0.929 10 0 BCAELP CC(=O)N1CCC[N@H+](CCC[NH2+]C(C)C)CC1 ZINC000042681338 188121078 /nfs/dbraw/zinc/12/10/78/188121078.db2.gz ROZTWCYGFIFNQL-UHFFFAOYSA-N 2 2 241.379 0.929 10 0 BCAELP Cc1cc(NCC[NH2+]C2CC2)c(C#N)c[nH+]1 ZINC000398999797 353548122 /nfs/dbraw/zinc/54/81/22/353548122.db2.gz SBBARCAREPXGEV-UHFFFAOYSA-N 2 2 216.288 0.848 10 0 BCAELP CN(C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000231670175 353642508 /nfs/dbraw/zinc/64/25/08/353642508.db2.gz AJQPGCFBXZENDN-NSHDSACASA-N 2 2 239.363 0.681 10 0 BCAELP CN(C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000231670175 353642509 /nfs/dbraw/zinc/64/25/09/353642509.db2.gz AJQPGCFBXZENDN-NSHDSACASA-N 2 2 239.363 0.681 10 0 BCAELP CC(=O)N1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000038087828 188473200 /nfs/dbraw/zinc/47/32/00/188473200.db2.gz XJGLLJRAVVIWGD-SNVBAGLBSA-N 2 2 227.352 0.537 10 0 BCAELP Oc1ccccc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000215949522 355626690 /nfs/dbraw/zinc/62/66/90/355626690.db2.gz BAGXAPJHZWQFSV-NSHDSACASA-N 2 2 206.289 0.886 10 0 BCAELP NC(=O)C[N@H+](C1CCCC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042438623 181229258 /nfs/dbraw/zinc/22/92/58/181229258.db2.gz SYXOYWBDRNHCEC-RYUDHWBXSA-N 2 2 239.363 0.986 10 0 BCAELP NC(=O)C[N@@H+](C1CCCC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042438623 181229259 /nfs/dbraw/zinc/22/92/59/181229259.db2.gz SYXOYWBDRNHCEC-RYUDHWBXSA-N 2 2 239.363 0.986 10 0 BCAELP Cn1cc[nH+]c1[C@H]1[C@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000675058755 538482313 /nfs/dbraw/zinc/48/23/13/538482313.db2.gz WNKAFLHNJLTKGO-JOYOIKCWSA-N 2 2 248.330 0.821 10 0 BCAELP Nc1[nH+]cccc1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675077762 538513999 /nfs/dbraw/zinc/51/39/99/538513999.db2.gz RGDHLIMUWBNRCJ-SNVBAGLBSA-N 2 2 205.261 0.097 10 0 BCAELP COc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cn1 ZINC000675078774 538516643 /nfs/dbraw/zinc/51/66/43/538516643.db2.gz SJCLDJPKFCOILH-SNVBAGLBSA-N 2 2 205.261 0.404 10 0 BCAELP CCn1nc(C)cc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079111 538517359 /nfs/dbraw/zinc/51/73/59/538517359.db2.gz WNBQBJVRDAGFEY-JTQLQIEISA-N 2 2 206.293 0.525 10 0 BCAELP COc1nscc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077389 538512451 /nfs/dbraw/zinc/51/24/51/538512451.db2.gz DEINTFSVDWXCEI-SSDOTTSWSA-N 2 2 211.290 0.466 10 0 BCAELP [NH3+][C@@H]1C=C(c2cnc(C3CC3)o2)C[NH2+]C1 ZINC000675077397 538512894 /nfs/dbraw/zinc/51/28/94/538512894.db2.gz DJSKGOQBIZSINR-SECBINFHSA-N 2 2 205.261 0.866 10 0 BCAELP [NH3+]Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000085792094 538546808 /nfs/dbraw/zinc/54/68/08/538546808.db2.gz UGNYTAOKQXIOTQ-JGVFFNPUSA-N 2 2 224.264 0.064 10 0 BCAELP [NH3+]Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000085792094 538546814 /nfs/dbraw/zinc/54/68/14/538546814.db2.gz UGNYTAOKQXIOTQ-JGVFFNPUSA-N 2 2 224.264 0.064 10 0 BCAELP NC(=O)[C@@]1([NH3+])CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604645 538557347 /nfs/dbraw/zinc/55/73/47/538557347.db2.gz HNRLNOIAQQFJAI-PSASIEDQSA-N 2 2 208.265 0.181 10 0 BCAELP COC(=O)[C@]1([NH3+])CC[C@H](n2cc[nH+]c2)C1 ZINC000086626592 538557919 /nfs/dbraw/zinc/55/79/19/538557919.db2.gz GKMWDRFLLOMHLQ-WPRPVWTQSA-N 2 2 209.249 0.479 10 0 BCAELP [NH3+]C1CC[NH+](CCNC(=O)C2CCC2)CC1 ZINC000321353080 538868792 /nfs/dbraw/zinc/86/87/92/538868792.db2.gz MNCTUZYFDQOWSB-UHFFFAOYSA-N 2 2 225.336 0.326 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670513 357618963 /nfs/dbraw/zinc/61/89/63/357618963.db2.gz DPHBFXOZCAVZOD-VXGBXAGGSA-N 2 2 241.379 0.975 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670513 357618966 /nfs/dbraw/zinc/61/89/66/357618966.db2.gz DPHBFXOZCAVZOD-VXGBXAGGSA-N 2 2 241.379 0.975 10 0 BCAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938729 357944597 /nfs/dbraw/zinc/94/45/97/357944597.db2.gz JYSWJCFHZVZJQS-UPJWGTAASA-N 2 2 244.379 0.533 10 0 BCAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938729 357944599 /nfs/dbraw/zinc/94/45/99/357944599.db2.gz JYSWJCFHZVZJQS-UPJWGTAASA-N 2 2 244.379 0.533 10 0 BCAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938729 357944600 /nfs/dbraw/zinc/94/46/00/357944600.db2.gz JYSWJCFHZVZJQS-UPJWGTAASA-N 2 2 244.379 0.533 10 0 BCAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938729 357944601 /nfs/dbraw/zinc/94/46/01/357944601.db2.gz JYSWJCFHZVZJQS-UPJWGTAASA-N 2 2 244.379 0.533 10 0 BCAELP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000226229822 358336434 /nfs/dbraw/zinc/33/64/34/358336434.db2.gz SDCZAMGHBGMWSA-VXGBXAGGSA-N 2 2 212.337 0.974 10 0 BCAELP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1O)C1CC1 ZINC000226229822 358336437 /nfs/dbraw/zinc/33/64/37/358336437.db2.gz SDCZAMGHBGMWSA-VXGBXAGGSA-N 2 2 212.337 0.974 10 0 BCAELP CCCCOC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000227890133 358365528 /nfs/dbraw/zinc/36/55/28/358365528.db2.gz AIGCDYJEJIHWIQ-GFCCVEGCSA-N 2 2 241.335 0.650 10 0 BCAELP COC(=O)CC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044559186 358390711 /nfs/dbraw/zinc/39/07/11/358390711.db2.gz IPLBJLHXUXYABO-SECBINFHSA-N 2 2 200.282 0.363 10 0 BCAELP COC(=O)CC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044559186 358390714 /nfs/dbraw/zinc/39/07/14/358390714.db2.gz IPLBJLHXUXYABO-SECBINFHSA-N 2 2 200.282 0.363 10 0 BCAELP CC1(C)CC[N@@H+]([C@H](C[NH3+])CO)CCS1 ZINC000231039129 358529268 /nfs/dbraw/zinc/52/92/68/358529268.db2.gz BSLHYOKBPGJZHP-SECBINFHSA-N 2 2 218.366 0.524 10 0 BCAELP CC1(C)CC[N@H+]([C@H](C[NH3+])CO)CCS1 ZINC000231039129 358529270 /nfs/dbraw/zinc/52/92/70/358529270.db2.gz BSLHYOKBPGJZHP-SECBINFHSA-N 2 2 218.366 0.524 10 0 BCAELP CC1(C)CC[N@@H+]([C@@H](C[NH3+])CO)CCS1 ZINC000231039126 358529507 /nfs/dbraw/zinc/52/95/07/358529507.db2.gz BSLHYOKBPGJZHP-VIFPVBQESA-N 2 2 218.366 0.524 10 0 BCAELP CC1(C)CC[N@H+]([C@@H](C[NH3+])CO)CCS1 ZINC000231039126 358529510 /nfs/dbraw/zinc/52/95/10/358529510.db2.gz BSLHYOKBPGJZHP-VIFPVBQESA-N 2 2 218.366 0.524 10 0 BCAELP Cc1nc(NCCCN2CC[NH2+]CC2)cc[nH+]1 ZINC000054936748 358879884 /nfs/dbraw/zinc/87/98/84/358879884.db2.gz QSPNVOWSOLXXKQ-UHFFFAOYSA-N 2 2 235.335 0.492 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000380243048 366671474 /nfs/dbraw/zinc/67/14/74/366671474.db2.gz WLJCRWIXFGNOBH-VXNVDRBHSA-N 2 2 222.292 0.190 10 0 BCAELP CC(C)[C@H](C)[C@@H]([NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC000306553265 360426946 /nfs/dbraw/zinc/42/69/46/360426946.db2.gz BCIXYEYKUCUOPP-GARJFASQSA-N 2 2 200.326 0.936 10 0 BCAELP CC(C)[C@H](C)[C@@H]([NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC000306553265 360426947 /nfs/dbraw/zinc/42/69/47/360426947.db2.gz BCIXYEYKUCUOPP-GARJFASQSA-N 2 2 200.326 0.936 10 0 BCAELP C[NH+](C)C[C@@H]1C[N@H+](C)C[C@H]1NC(=O)C1CCC1 ZINC000169790612 361123159 /nfs/dbraw/zinc/12/31/59/361123159.db2.gz ZVBDURKQZFMBLY-VXGBXAGGSA-N 2 2 239.363 0.395 10 0 BCAELP C[NH+](C)C[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1CCC1 ZINC000169790612 361123166 /nfs/dbraw/zinc/12/31/66/361123166.db2.gz ZVBDURKQZFMBLY-VXGBXAGGSA-N 2 2 239.363 0.395 10 0 BCAELP Nc1cc[nH+]cc1C(=O)C[NH+]1CCCC1 ZINC000306639068 361590940 /nfs/dbraw/zinc/59/09/40/361590940.db2.gz CVIZXGJKZWBRAY-UHFFFAOYSA-N 2 2 205.261 0.942 10 0 BCAELP COC[C@H](C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+])OC ZINC000630367559 364084316 /nfs/dbraw/zinc/08/43/16/364084316.db2.gz NWPUUPFIAZOLNT-WOPDTQHZSA-N 2 2 246.351 0.086 10 0 BCAELP COC[C@H](C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+])OC ZINC000630367559 364084325 /nfs/dbraw/zinc/08/43/25/364084325.db2.gz NWPUUPFIAZOLNT-WOPDTQHZSA-N 2 2 246.351 0.086 10 0 BCAELP CO[C@@H]1CN(Cc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630359185 364076161 /nfs/dbraw/zinc/07/61/61/364076161.db2.gz BZFVYSSBTGKBRB-NWDGAFQWSA-N 2 2 238.335 0.358 10 0 BCAELP CO[C@H]1C[N@H+](CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364787 364083194 /nfs/dbraw/zinc/08/31/94/364083194.db2.gz VXVRSFXBMWYDFF-NEPJUHHUSA-N 2 2 230.352 0.850 10 0 BCAELP CO[C@H]1C[N@@H+](CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364787 364083198 /nfs/dbraw/zinc/08/31/98/364083198.db2.gz VXVRSFXBMWYDFF-NEPJUHHUSA-N 2 2 230.352 0.850 10 0 BCAELP [NH3+]CC(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037045733 181354849 /nfs/dbraw/zinc/35/48/49/181354849.db2.gz NNMXROBRNRSDPE-IUCAKERBSA-N 2 2 208.265 0.052 10 0 BCAELP [NH3+]CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000037006872 181355950 /nfs/dbraw/zinc/35/59/50/181355950.db2.gz WIYFKJKQUWYHNC-UHFFFAOYSA-N 2 2 216.244 0.770 10 0 BCAELP [NH3+]CCC[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000020181790 181381055 /nfs/dbraw/zinc/38/10/55/181381055.db2.gz OISJVYWGBPKBCG-UHFFFAOYSA-N 2 2 248.330 0.188 10 0 BCAELP [NH3+]CCCN1CC[NH+](Cc2ccco2)CC1 ZINC000019852845 181381361 /nfs/dbraw/zinc/38/13/61/181381361.db2.gz CPRIOZSEOGZVEW-UHFFFAOYSA-N 2 2 223.320 0.746 10 0 BCAELP [NH3+]CCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000019852845 181381364 /nfs/dbraw/zinc/38/13/64/181381364.db2.gz CPRIOZSEOGZVEW-UHFFFAOYSA-N 2 2 223.320 0.746 10 0 BCAELP CCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000379848009 365315092 /nfs/dbraw/zinc/31/50/92/365315092.db2.gz DESKLBZSPIDOGD-DCAQKATOSA-N 2 2 235.335 0.467 10 0 BCAELP CCn1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000379848009 365315099 /nfs/dbraw/zinc/31/50/99/365315099.db2.gz DESKLBZSPIDOGD-DCAQKATOSA-N 2 2 235.335 0.467 10 0 BCAELP CCCn1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381412907 367398419 /nfs/dbraw/zinc/39/84/19/367398419.db2.gz ZAWHXYUSRWNEIE-QJPTWQEYSA-N 2 2 249.362 0.857 10 0 BCAELP CCCn1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381412907 367398423 /nfs/dbraw/zinc/39/84/23/367398423.db2.gz ZAWHXYUSRWNEIE-QJPTWQEYSA-N 2 2 249.362 0.857 10 0 BCAELP C[C@@H](C[S@@](C)=O)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950333 368170277 /nfs/dbraw/zinc/17/02/77/368170277.db2.gz OPDQXOUTJIWJFI-ISTVAULSSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@@H](C[S@@](C)=O)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950333 368170282 /nfs/dbraw/zinc/17/02/82/368170282.db2.gz OPDQXOUTJIWJFI-ISTVAULSSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@H](C[S@](C)=O)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950334 368170330 /nfs/dbraw/zinc/17/03/30/368170330.db2.gz OPDQXOUTJIWJFI-RULNRJAQSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@H](C[S@](C)=O)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950334 368170336 /nfs/dbraw/zinc/17/03/36/368170336.db2.gz OPDQXOUTJIWJFI-RULNRJAQSA-N 2 2 218.366 0.437 10 0 BCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091544624 369013531 /nfs/dbraw/zinc/01/35/31/369013531.db2.gz DRMNDOZVZWCTHF-ZJUUUORDSA-N 2 2 236.319 0.506 10 0 BCAELP CC(C)([NH3+])C[NH+]1CCC2(CC1)OCCO2 ZINC000107155338 369310533 /nfs/dbraw/zinc/31/05/33/369310533.db2.gz SPTUDDHWVSVRIE-UHFFFAOYSA-N 2 2 214.309 0.563 10 0 BCAELP [NH3+]Cc1cccc(OC[C@@H](O)Cn2cc[nH+]c2)c1 ZINC000035727624 181489651 /nfs/dbraw/zinc/48/96/51/181489651.db2.gz XCQJMTANNNWNTC-LBPRGKRZSA-N 2 2 247.298 0.782 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307948922 370069186 /nfs/dbraw/zinc/06/91/86/370069186.db2.gz PMWMSTVVDGRBKJ-RKDXNWHRSA-N 2 2 240.269 0.984 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000307948922 370069189 /nfs/dbraw/zinc/06/91/89/370069189.db2.gz PMWMSTVVDGRBKJ-RKDXNWHRSA-N 2 2 240.269 0.984 10 0 BCAELP c1c[nH]c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)n1 ZINC000309525209 370221609 /nfs/dbraw/zinc/22/16/09/370221609.db2.gz CJHMWCPIOPZPBE-VIFPVBQESA-N 2 2 217.276 0.711 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C[N@@H+]1C1CC1 ZINC000624237269 371425233 /nfs/dbraw/zinc/42/52/33/371425233.db2.gz TVUURINJQVKRPU-DNIRFERGSA-N 2 2 240.347 0.351 10 0 BCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@@H]2O)C[N@H+]1C1CC1 ZINC000624237269 371425237 /nfs/dbraw/zinc/42/52/37/371425237.db2.gz TVUURINJQVKRPU-DNIRFERGSA-N 2 2 240.347 0.351 10 0 BCAELP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@@H]1C[NH3+] ZINC000631838856 372633032 /nfs/dbraw/zinc/63/30/32/372633032.db2.gz WDZBWDQVFDXGQC-MNOVXSKESA-N 2 2 245.330 0.756 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@@H]1C[NH3+] ZINC000631838856 372633041 /nfs/dbraw/zinc/63/30/41/372633041.db2.gz WDZBWDQVFDXGQC-MNOVXSKESA-N 2 2 245.330 0.756 10 0 BCAELP O[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2)C1 ZINC000083286313 183245814 /nfs/dbraw/zinc/24/58/14/183245814.db2.gz ZXWGHKDWHJBPTJ-LBPRGKRZSA-N 2 2 206.289 0.453 10 0 BCAELP O[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2)C1 ZINC000083286313 183245815 /nfs/dbraw/zinc/24/58/15/183245815.db2.gz ZXWGHKDWHJBPTJ-LBPRGKRZSA-N 2 2 206.289 0.453 10 0 BCAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC000104415936 169262557 /nfs/dbraw/zinc/26/25/57/169262557.db2.gz HNUUQFNPSCTNAO-RYUDHWBXSA-N 2 2 241.379 0.833 10 0 BCAELP CCC[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC000104415936 169262559 /nfs/dbraw/zinc/26/25/59/169262559.db2.gz HNUUQFNPSCTNAO-RYUDHWBXSA-N 2 2 241.379 0.833 10 0 BCAELP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)NC ZINC000104429706 169262676 /nfs/dbraw/zinc/26/26/76/169262676.db2.gz CVDXWZTYJOXNGP-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)NC ZINC000104429706 169262677 /nfs/dbraw/zinc/26/26/77/169262677.db2.gz CVDXWZTYJOXNGP-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCCO[C@H]1CCC[N@@H+]([C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000042421915 169312695 /nfs/dbraw/zinc/31/26/95/169312695.db2.gz HYZKLDJNBHAFCZ-RWMBFGLXSA-N 2 2 242.363 0.994 10 0 BCAELP CCCO[C@H]1CCC[N@H+]([C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000042421915 169312697 /nfs/dbraw/zinc/31/26/97/169312697.db2.gz HYZKLDJNBHAFCZ-RWMBFGLXSA-N 2 2 242.363 0.994 10 0 BCAELP C[NH+](C)C[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000111229584 383842700 /nfs/dbraw/zinc/84/27/00/383842700.db2.gz UDMHQABANRNTQU-JTQLQIEISA-N 2 2 224.308 0.172 10 0 BCAELP C[NH+](C)C[C@@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000114479460 384039241 /nfs/dbraw/zinc/03/92/41/384039241.db2.gz VWNNGFAUIBLJSQ-JTQLQIEISA-N 2 2 208.309 0.793 10 0 BCAELP Cc1cc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000404075097 384265595 /nfs/dbraw/zinc/26/55/95/384265595.db2.gz QITAEWOLPFKQRS-MNOVXSKESA-N 2 2 234.303 0.352 10 0 BCAELP Clc1nccc(C[NH2+]C2CC[NH2+]CC2)n1 ZINC000095070300 384336258 /nfs/dbraw/zinc/33/62/58/384336258.db2.gz HBFJKXYJVXYEDY-UHFFFAOYSA-N 2 2 226.711 0.972 10 0 BCAELP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)nn1 ZINC000095070487 384337222 /nfs/dbraw/zinc/33/72/22/384337222.db2.gz GGOPOSBHRRDOQM-UHFFFAOYSA-N 2 2 226.711 0.972 10 0 BCAELP CSc1nccnc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000095071938 384341171 /nfs/dbraw/zinc/34/11/71/384341171.db2.gz GKIMCLVBXMWMNZ-SECBINFHSA-N 2 2 238.360 0.898 10 0 BCAELP CSc1nccnc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000095071907 384341615 /nfs/dbraw/zinc/34/16/15/384341615.db2.gz HUSIDOXBOFNLDE-SECBINFHSA-N 2 2 238.360 0.979 10 0 BCAELP CSc1nccnc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000095071907 384341618 /nfs/dbraw/zinc/34/16/18/384341618.db2.gz HUSIDOXBOFNLDE-SECBINFHSA-N 2 2 238.360 0.979 10 0 BCAELP [NH3+]C[C@@H]1CCCN(c2[nH+]cccc2O)C1 ZINC000095072498 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BCAELP Cc1nc(N2C[C@H](C)[NH2+]C[C@H]2C)cc[nH+]1 ZINC000250836662 132303343 /nfs/dbraw/zinc/30/33/43/132303343.db2.gz MVTRCBQXQPDSMT-DTWKUNHWSA-N 2 2 206.293 0.972 10 0 BCAELP CC[NH+]1CCN(c2[nH+]cc(N)cc2N)CC1 ZINC000039102262 132346344 /nfs/dbraw/zinc/34/63/44/132346344.db2.gz XZLXSSDNNJKUDC-UHFFFAOYSA-N 2 2 221.308 0.388 10 0 BCAELP Cc1ccc(N2CC[NH+](CCC[NH3+])CC2)nn1 ZINC000041074725 132349449 /nfs/dbraw/zinc/34/94/49/132349449.db2.gz PYNGEWQSENBIIB-UHFFFAOYSA-N 2 2 235.335 0.256 10 0 BCAELP [NH3+]Cc1cc(N2CCS(=O)CC2)cc[nH+]1 ZINC000051397524 132360392 /nfs/dbraw/zinc/36/03/92/132360392.db2.gz KDQIJVBSGJMRKI-UHFFFAOYSA-N 2 2 225.317 0.109 10 0 BCAELP Cc1ccc[nH+]c1N1CCN([C@@H](C)C[NH3+])CC1 ZINC000058022107 132367787 /nfs/dbraw/zinc/36/77/87/132367787.db2.gz WPHCDJQEZYQMEO-LBPRGKRZSA-N 2 2 234.347 0.859 10 0 BCAELP [NH3+]Cc1cc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000060382312 132368707 /nfs/dbraw/zinc/36/87/07/132368707.db2.gz LNAMTPRYUUXVMU-NSHDSACASA-N 2 2 207.277 0.501 10 0 BCAELP [NH3+]Cc1cc(N2CCCC[C@H]2CO)cc[nH+]1 ZINC000060382311 132368812 /nfs/dbraw/zinc/36/88/12/132368812.db2.gz LNPUDYDPSWKKTG-LBPRGKRZSA-N 2 2 221.304 0.892 10 0 BCAELP [NH3+]Cc1cc(N2CCC(CO)CC2)cc[nH+]1 ZINC000060382281 132368821 /nfs/dbraw/zinc/36/88/21/132368821.db2.gz NGOUARDBKBTPFI-UHFFFAOYSA-N 2 2 221.304 0.749 10 0 BCAELP NC(=[NH2+])c1cc(N2CCn3cc[nH+]c3C2)ccn1 ZINC000062252627 132387652 /nfs/dbraw/zinc/38/76/52/132387652.db2.gz LMOYKLICVXFSNC-UHFFFAOYSA-N 2 2 242.286 0.582 10 0 BCAELP Cc1cc[nH+]c(N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000257695520 135139778 /nfs/dbraw/zinc/13/97/78/135139778.db2.gz KBQHWUFAOKBUCN-ZDUSSCGKSA-N 2 2 246.358 0.874 10 0 BCAELP C[C@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261530641 135158297 /nfs/dbraw/zinc/15/82/97/135158297.db2.gz CXCGBJBXWCUJOQ-QMMMGPOBSA-N 2 2 210.281 0.760 10 0 BCAELP C[C@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261530641 135158299 /nfs/dbraw/zinc/15/82/99/135158299.db2.gz CXCGBJBXWCUJOQ-QMMMGPOBSA-N 2 2 210.281 0.760 10 0 BCAELP CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261532809 135163713 /nfs/dbraw/zinc/16/37/13/135163713.db2.gz KFWHREVUEYZEQP-IVZWLZJFSA-N 2 2 212.293 0.219 10 0 BCAELP CCOC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261532809 135163715 /nfs/dbraw/zinc/16/37/15/135163715.db2.gz KFWHREVUEYZEQP-IVZWLZJFSA-N 2 2 212.293 0.219 10 0 BCAELP Cc1c(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cnn1C ZINC000261535137 135168567 /nfs/dbraw/zinc/16/85/67/135168567.db2.gz NVLROEAPCACTIN-LDYMZIIASA-N 2 2 208.309 0.508 10 0 BCAELP Cc1c(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cnn1C ZINC000261535137 135168569 /nfs/dbraw/zinc/16/85/69/135168569.db2.gz NVLROEAPCACTIN-LDYMZIIASA-N 2 2 208.309 0.508 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261550931 135190390 /nfs/dbraw/zinc/19/03/90/135190390.db2.gz LPDAONJGWBZTDJ-GHMZBOCLSA-N 2 2 241.379 0.960 10 0 BCAELP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261550931 135190391 /nfs/dbraw/zinc/19/03/91/135190391.db2.gz LPDAONJGWBZTDJ-GHMZBOCLSA-N 2 2 241.379 0.960 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261554565 135194646 /nfs/dbraw/zinc/19/46/46/135194646.db2.gz OYPXAMKJFJWJFK-NSHDSACASA-N 2 2 241.379 0.912 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261554565 135194648 /nfs/dbraw/zinc/19/46/48/135194648.db2.gz OYPXAMKJFJWJFK-NSHDSACASA-N 2 2 241.379 0.912 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]12 ZINC000261555357 135195181 /nfs/dbraw/zinc/19/51/81/135195181.db2.gz BKCJUIYCWXWEKI-INTQDDNPSA-N 2 2 248.334 0.177 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]12 ZINC000261555357 135195183 /nfs/dbraw/zinc/19/51/83/135195183.db2.gz BKCJUIYCWXWEKI-INTQDDNPSA-N 2 2 248.334 0.177 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562869 135204737 /nfs/dbraw/zinc/20/47/37/135204737.db2.gz WPTVSPQYWYKHHF-RYUDHWBXSA-N 2 2 239.363 0.537 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261562869 135204738 /nfs/dbraw/zinc/20/47/38/135204738.db2.gz WPTVSPQYWYKHHF-RYUDHWBXSA-N 2 2 239.363 0.537 10 0 BCAELP Cc1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc[nH+]1 ZINC000261564178 135206218 /nfs/dbraw/zinc/20/62/18/135206218.db2.gz CIWINPDUORGCJQ-QWRGUYRKSA-N 2 2 218.304 0.973 10 0 BCAELP O=C(CC[C@H]1CCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000261563891 135206238 /nfs/dbraw/zinc/20/62/38/135206238.db2.gz GZXRCODJLIFWJZ-LLVKDONJSA-N 2 2 248.330 0.758 10 0 BCAELP CC1(C)C[N@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000261566035 135207818 /nfs/dbraw/zinc/20/78/18/135207818.db2.gz DGDJHSSZBJKHIS-JTQLQIEISA-N 2 2 208.309 0.969 10 0 BCAELP CC1(C)C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1[NH3+] ZINC000261566035 135207820 /nfs/dbraw/zinc/20/78/20/135207820.db2.gz DGDJHSSZBJKHIS-JTQLQIEISA-N 2 2 208.309 0.969 10 0 BCAELP Cc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000261571751 135214119 /nfs/dbraw/zinc/21/41/19/135214119.db2.gz HUTAGUYJDSHVNS-HBNTYKKESA-N 2 2 218.304 0.959 10 0 BCAELP CC1(C)C[N@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000261575048 135216700 /nfs/dbraw/zinc/21/67/00/135216700.db2.gz JOABZWHUJKQVJF-SNVBAGLBSA-N 2 2 225.336 0.324 10 0 BCAELP CC1(C)C[N@@H+](CC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000261575048 135216702 /nfs/dbraw/zinc/21/67/02/135216702.db2.gz JOABZWHUJKQVJF-SNVBAGLBSA-N 2 2 225.336 0.324 10 0 BCAELP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261578218 135219197 /nfs/dbraw/zinc/21/91/97/135219197.db2.gz LPAYVWKEQOCDQS-ZJUUUORDSA-N 2 2 228.336 0.997 10 0 BCAELP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261578218 135219198 /nfs/dbraw/zinc/21/91/98/135219198.db2.gz LPAYVWKEQOCDQS-ZJUUUORDSA-N 2 2 228.336 0.997 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261594500 135235198 /nfs/dbraw/zinc/23/51/98/135235198.db2.gz XPWXRLBVJUZIBD-CMPLNLGQSA-N 2 2 222.336 0.958 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261594500 135235200 /nfs/dbraw/zinc/23/52/00/135235200.db2.gz XPWXRLBVJUZIBD-CMPLNLGQSA-N 2 2 222.336 0.958 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccon3)C[C@@H]12 ZINC000261598095 135236475 /nfs/dbraw/zinc/23/64/75/135236475.db2.gz ZKRLMILRFPJGBV-JMJZKYOTSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@@H]12 ZINC000261598095 135236476 /nfs/dbraw/zinc/23/64/76/135236476.db2.gz ZKRLMILRFPJGBV-JMJZKYOTSA-N 2 2 207.277 0.844 10 0 BCAELP C[C@H]1CC[N@H+](Cc2noc(C[NH3+])n2)[C@H]1C ZINC000261597513 135236525 /nfs/dbraw/zinc/23/65/25/135236525.db2.gz ZDVJOQYSSFMJND-YUMQZZPRSA-N 2 2 210.281 0.759 10 0 BCAELP C[C@H]1CC[N@@H+](Cc2noc(C[NH3+])n2)[C@H]1C ZINC000261597513 135236526 /nfs/dbraw/zinc/23/65/26/135236526.db2.gz ZDVJOQYSSFMJND-YUMQZZPRSA-N 2 2 210.281 0.759 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@]12CCOC2 ZINC000261963797 135266703 /nfs/dbraw/zinc/26/67/03/135266703.db2.gz PNOKSHCQPATTPE-CHWSQXEVSA-N 2 2 240.347 0.477 10 0 BCAELP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@]12CCOC2 ZINC000261963797 135266705 /nfs/dbraw/zinc/26/67/05/135266705.db2.gz PNOKSHCQPATTPE-CHWSQXEVSA-N 2 2 240.347 0.477 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@]12CCOC2 ZINC000261963801 135267128 /nfs/dbraw/zinc/26/71/28/135267128.db2.gz PNOKSHCQPATTPE-QWHCGFSZSA-N 2 2 240.347 0.477 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@]12CCOC2 ZINC000261963801 135267129 /nfs/dbraw/zinc/26/71/29/135267129.db2.gz PNOKSHCQPATTPE-QWHCGFSZSA-N 2 2 240.347 0.477 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOC[C@@]12CCOC2 ZINC000261963802 135267175 /nfs/dbraw/zinc/26/71/75/135267175.db2.gz PNOKSHCQPATTPE-STQMWFEESA-N 2 2 240.347 0.477 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOC[C@@]12CCOC2 ZINC000261963802 135267176 /nfs/dbraw/zinc/26/71/76/135267176.db2.gz PNOKSHCQPATTPE-STQMWFEESA-N 2 2 240.347 0.477 10 0 BCAELP CS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261975326 135268976 /nfs/dbraw/zinc/26/89/76/135268976.db2.gz QUEZMMUCUORPDB-MNOVXSKESA-N 2 2 246.376 0.105 10 0 BCAELP CS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261975326 135268978 /nfs/dbraw/zinc/26/89/78/135268978.db2.gz QUEZMMUCUORPDB-MNOVXSKESA-N 2 2 246.376 0.105 10 0 BCAELP CC1(C)CNC(=O)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262024984 135273594 /nfs/dbraw/zinc/27/35/94/135273594.db2.gz WNCXKUUENCDQFD-JTQLQIEISA-N 2 2 225.336 0.196 10 0 BCAELP CC1(C)CNC(=O)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262024984 135273595 /nfs/dbraw/zinc/27/35/95/135273595.db2.gz WNCXKUUENCDQFD-JTQLQIEISA-N 2 2 225.336 0.196 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000262043096 135275618 /nfs/dbraw/zinc/27/56/18/135275618.db2.gz YPPYIQCWGOVHOB-STQMWFEESA-N 2 2 239.363 0.002 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000262043096 135275619 /nfs/dbraw/zinc/27/56/19/135275619.db2.gz YPPYIQCWGOVHOB-STQMWFEESA-N 2 2 239.363 0.002 10 0 BCAELP CC(C)n1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263168215 135337179 /nfs/dbraw/zinc/33/71/79/135337179.db2.gz FKSFTOGILZWBRO-JQWIXIFHSA-N 2 2 238.335 0.134 10 0 BCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000263229046 135341073 /nfs/dbraw/zinc/34/10/73/135341073.db2.gz NEBSPVJOBZDUEM-BXKDBHETSA-N 2 2 242.269 0.635 10 0 BCAELP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000384444908 398089415 /nfs/dbraw/zinc/08/94/15/398089415.db2.gz ZYOZNGLCZYDFOH-ZJUUUORDSA-N 2 2 236.319 0.756 10 0 BCAELP CC(C)OC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750326 167159138 /nfs/dbraw/zinc/15/91/38/167159138.db2.gz YRLJCCVZFJLAJS-FGWVZKOKSA-N 2 2 226.320 0.892 10 0 BCAELP CC(C)OC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750326 167159141 /nfs/dbraw/zinc/15/91/41/167159141.db2.gz YRLJCCVZFJLAJS-FGWVZKOKSA-N 2 2 226.320 0.892 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540846 167317419 /nfs/dbraw/zinc/31/74/19/167317419.db2.gz WEZUHLASTJCYOB-GHMZBOCLSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226540846 167317420 /nfs/dbraw/zinc/31/74/20/167317420.db2.gz WEZUHLASTJCYOB-GHMZBOCLSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCc1[nH+]ccn1C ZINC000129057977 410367549 /nfs/dbraw/zinc/36/75/49/410367549.db2.gz AYAUDAHPRPAHEQ-VIFPVBQESA-N 2 2 224.308 0.410 10 0 BCAELP CCn1cc[nH+]c1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118507 410664470 /nfs/dbraw/zinc/66/44/70/410664470.db2.gz WVVUHIGCTZWWGL-UHFFFAOYSA-N 2 2 234.307 0.737 10 0 BCAELP CC[NH+](CC)CC[NH2+]C[C@H]1CCOC1 ZINC000019919596 169780123 /nfs/dbraw/zinc/78/01/23/169780123.db2.gz HBNXMUXRNKRCON-LLVKDONJSA-N 2 2 200.326 0.954 10 0 BCAELP CN(Cc1[nH+]ccn1C)[C@H]1CCC[NH2+]CC1 ZINC000082666899 411152422 /nfs/dbraw/zinc/15/24/22/411152422.db2.gz SQSWPXXWBOXDLY-NSHDSACASA-N 2 2 222.336 0.994 10 0 BCAELP Nc1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cn1 ZINC000616612010 411287655 /nfs/dbraw/zinc/28/76/55/411287655.db2.gz LPTSURUCFWWJTF-SNVBAGLBSA-N 2 2 206.293 0.412 10 0 BCAELP Nc1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cn1 ZINC000616612010 411287657 /nfs/dbraw/zinc/28/76/57/411287657.db2.gz LPTSURUCFWWJTF-SNVBAGLBSA-N 2 2 206.293 0.412 10 0 BCAELP Nc1ccc([C@H]2CCN(CC[NH3+])CCO2)c[nH+]1 ZINC000616594841 411287684 /nfs/dbraw/zinc/28/76/84/411287684.db2.gz IIGVSQXHFPYEKP-LLVKDONJSA-N 2 2 236.319 0.386 10 0 BCAELP Nc1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)cn1 ZINC000616621481 411287861 /nfs/dbraw/zinc/28/78/61/411287861.db2.gz PNILNJLJLLRADO-NSHDSACASA-N 2 2 220.320 0.802 10 0 BCAELP Nc1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)cn1 ZINC000616621481 411287864 /nfs/dbraw/zinc/28/78/64/411287864.db2.gz PNILNJLJLLRADO-NSHDSACASA-N 2 2 220.320 0.802 10 0 BCAELP CC1CC[NH+](CCNCC[NH+](C)C)CC1 ZINC000041227186 168181295 /nfs/dbraw/zinc/18/12/95/168181295.db2.gz BGDBEPMNPQRAPB-UHFFFAOYSA-N 2 2 213.369 0.870 10 0 BCAELP CCNC(=[NH2+])N(C(N)=[NH2+])c1cc(C)on1 ZINC000033828137 170041853 /nfs/dbraw/zinc/04/18/53/170041853.db2.gz FLUJMHPHOKKKCD-UHFFFAOYSA-N 2 2 210.241 0.227 10 0 BCAELP CCNC(=O)C[N@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000049726179 170054294 /nfs/dbraw/zinc/05/42/94/170054294.db2.gz CKVWPYGGQHOSLC-CYBMUJFWSA-N 2 2 249.358 0.797 10 0 BCAELP CCNC(=O)C[N@@H+](C)C[C@@H](C[NH3+])c1ccccc1 ZINC000049726179 170054295 /nfs/dbraw/zinc/05/42/95/170054295.db2.gz CKVWPYGGQHOSLC-CYBMUJFWSA-N 2 2 249.358 0.797 10 0 BCAELP CCNC(=O)C[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000049728218 170054906 /nfs/dbraw/zinc/05/49/06/170054906.db2.gz LEPRJMNYNDMTRJ-WDEREUQCSA-N 2 2 227.352 0.714 10 0 BCAELP CCNC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000049728218 170054907 /nfs/dbraw/zinc/05/49/07/170054907.db2.gz LEPRJMNYNDMTRJ-WDEREUQCSA-N 2 2 227.352 0.714 10 0 BCAELP CCNC(=O)C[N@H+](C)Cc1cccnc1C[NH3+] ZINC000061656737 170055285 /nfs/dbraw/zinc/05/52/85/170055285.db2.gz WKJPMJUVZZOXQQ-UHFFFAOYSA-N 2 2 236.319 0.108 10 0 BCAELP CCNC(=O)C[N@@H+](C)Cc1cccnc1C[NH3+] ZINC000061656737 170055287 /nfs/dbraw/zinc/05/52/87/170055287.db2.gz WKJPMJUVZZOXQQ-UHFFFAOYSA-N 2 2 236.319 0.108 10 0 BCAELP CCNC(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602088 170061340 /nfs/dbraw/zinc/06/13/40/170061340.db2.gz AOUXDGIXBIFCNU-YOGCLGLASA-N 2 2 239.363 0.727 10 0 BCAELP CCNC(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602088 170061341 /nfs/dbraw/zinc/06/13/41/170061341.db2.gz AOUXDGIXBIFCNU-YOGCLGLASA-N 2 2 239.363 0.727 10 0 BCAELP CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000037469317 170086085 /nfs/dbraw/zinc/08/60/85/170086085.db2.gz VTLIQEKKIXXBAD-SECBINFHSA-N 2 2 213.325 0.195 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000037536998 170109851 /nfs/dbraw/zinc/10/98/51/170109851.db2.gz JRFHGLZTFHDKPF-JTQLQIEISA-N 2 2 239.363 0.727 10 0 BCAELP CCOC(=O)[C@@H]([NH3+])Cn1cc[nH+]c1CC ZINC000045460457 170254269 /nfs/dbraw/zinc/25/42/69/170254269.db2.gz NNKUFTCUPFYVPU-QMMMGPOBSA-N 2 2 211.265 0.336 10 0 BCAELP CCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042531 170279973 /nfs/dbraw/zinc/27/99/73/170279973.db2.gz RCLVEBLEOJDOHD-LLVKDONJSA-N 2 2 226.320 0.766 10 0 BCAELP CCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042531 170279975 /nfs/dbraw/zinc/27/99/75/170279975.db2.gz RCLVEBLEOJDOHD-LLVKDONJSA-N 2 2 226.320 0.766 10 0 BCAELP CCOC1CC[NH+]([C@H]2COCC[C@@H]2[NH3+])CC1 ZINC000040689369 170332800 /nfs/dbraw/zinc/33/28/00/170332800.db2.gz YMJFGNIQMFSRJF-RYUDHWBXSA-N 2 2 228.336 0.604 10 0 BCAELP CN1C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657696701 411581383 /nfs/dbraw/zinc/58/13/83/411581383.db2.gz LRDMBTSQQRRZLZ-SNVBAGLBSA-N 2 2 248.330 0.397 10 0 BCAELP O[C@@H]1C[NH2+]C[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000420255887 411695506 /nfs/dbraw/zinc/69/55/06/411695506.db2.gz TZRFBYDYCFXAKF-WCQYABFASA-N 2 2 243.310 1.227 10 0 BCAELP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1=[NH+]CCS1 ZINC000236913375 170794366 /nfs/dbraw/zinc/79/43/66/170794366.db2.gz DFJHDFNRQWXLKA-RQJHMYQMSA-N 2 2 215.322 0.579 10 0 BCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CCCO1 ZINC000133877935 411994085 /nfs/dbraw/zinc/99/40/85/411994085.db2.gz FVLLKFXNBLTNAZ-UPJWGTAASA-N 2 2 242.363 0.912 10 0 BCAELP CC[C@@H]1C[N@H+](Cc2cc(C[NH3+])no2)CCO1 ZINC000052477219 171089721 /nfs/dbraw/zinc/08/97/21/171089721.db2.gz MTPIDIUMAJAJAH-SNVBAGLBSA-N 2 2 225.292 0.744 10 0 BCAELP CC[C@@H]1C[N@@H+](Cc2cc(C[NH3+])no2)CCO1 ZINC000052477219 171089724 /nfs/dbraw/zinc/08/97/24/171089724.db2.gz MTPIDIUMAJAJAH-SNVBAGLBSA-N 2 2 225.292 0.744 10 0 BCAELP CC[C@@H]1C[NH2+]CCN1CCCn1cc[nH+]c1 ZINC000082476581 171101670 /nfs/dbraw/zinc/10/16/70/171101670.db2.gz ZFYRCAYUNFXMMN-GFCCVEGCSA-N 2 2 222.336 0.957 10 0 BCAELP CC[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000062910609 171195370 /nfs/dbraw/zinc/19/53/70/171195370.db2.gz VHJGGAMCKALFLH-CYBMUJFWSA-N 2 2 248.330 0.615 10 0 BCAELP CC[C@H](C)[NH2+]C1(C(N)=O)CC[NH+](C)CC1 ZINC000038065345 171339113 /nfs/dbraw/zinc/33/91/13/171339113.db2.gz DFIZCJJLDHYRFH-VIFPVBQESA-N 2 2 213.325 0.324 10 0 BCAELP CC[C@H](C)[C@@H](C[NH2+][C@H]1CC[NH2+]C1)OC ZINC000362975592 171369832 /nfs/dbraw/zinc/36/98/32/171369832.db2.gz GIRBFQDQFOYOBR-GARJFASQSA-N 2 2 200.326 0.999 10 0 BCAELP Cc1cc(NCC23CC(C2)C[NH2+]3)nc[nH+]1 ZINC000663273554 412404119 /nfs/dbraw/zinc/40/41/19/412404119.db2.gz DNVCAHOEKSNQIN-UHFFFAOYSA-N 2 2 204.277 0.949 10 0 BCAELP Cc1cccc(NCc2nc(C[NH3+])cc(=O)[nH]2)[nH+]1 ZINC000663277919 412407176 /nfs/dbraw/zinc/40/71/76/412407176.db2.gz ZQJLCOCLLTVCEJ-UHFFFAOYSA-N 2 2 245.286 0.956 10 0 BCAELP CN(Cc1[nH+]ccn1C)[C@@H]1CCC[C@@H]1[NH3+] ZINC000062251133 172931862 /nfs/dbraw/zinc/93/18/62/172931862.db2.gz ZVHPBTXYFGGCMB-VHSXEESVSA-N 2 2 208.309 0.732 10 0 BCAELP Cn1cc[nH+]c1CC[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000054243447 173042570 /nfs/dbraw/zinc/04/25/70/173042570.db2.gz NNUNNIWUNLLOAC-GFCCVEGCSA-N 3 2 236.363 0.894 10 0 BCAELP Cn1cc[nH+]c1CC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243447 173042572 /nfs/dbraw/zinc/04/25/72/173042572.db2.gz NNUNNIWUNLLOAC-GFCCVEGCSA-N 3 2 236.363 0.894 10 0 BCAELP C[N@@H+]1CCc2sc([C@H](O)C[NH3+])nc2C1 ZINC000076166586 173177399 /nfs/dbraw/zinc/17/73/99/173177399.db2.gz HNMMKGWRNPBGMI-SSDOTTSWSA-N 2 2 213.306 0.123 10 0 BCAELP C[N@H+]1CCc2sc([C@H](O)C[NH3+])nc2C1 ZINC000076166586 173177401 /nfs/dbraw/zinc/17/74/01/173177401.db2.gz HNMMKGWRNPBGMI-SSDOTTSWSA-N 2 2 213.306 0.123 10 0 BCAELP CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151100640 173274527 /nfs/dbraw/zinc/27/45/27/173274527.db2.gz RFAGQRMYUGEJQF-NSHDSACASA-N 2 2 248.330 0.561 10 0 BCAELP CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151100640 173274528 /nfs/dbraw/zinc/27/45/28/173274528.db2.gz RFAGQRMYUGEJQF-NSHDSACASA-N 2 2 248.330 0.561 10 0 BCAELP CNC(=O)[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])C(C)(C)C ZINC000043294001 173307632 /nfs/dbraw/zinc/30/76/32/173307632.db2.gz RPPHSGCLCOSXMO-ZJUUUORDSA-N 2 2 227.352 0.570 10 0 BCAELP CNC(=O)[C@H]1CCC[N@H+]1[C@@H](C[NH3+])C(C)(C)C ZINC000043294001 173307633 /nfs/dbraw/zinc/30/76/33/173307633.db2.gz RPPHSGCLCOSXMO-ZJUUUORDSA-N 2 2 227.352 0.570 10 0 BCAELP C[NH2+]C1CC[NH+](C[C@H]2CC[N@H+](C)C2)CC1 ZINC000037485131 173323395 /nfs/dbraw/zinc/32/33/95/173323395.db2.gz VIAOTWDHEZTKLE-NSHDSACASA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+]C1CC[NH+](C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037485131 173323396 /nfs/dbraw/zinc/32/33/96/173323396.db2.gz VIAOTWDHEZTKLE-NSHDSACASA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+]CC1(C[NH+]2CCOCC2)CCOCC1 ZINC000052180671 173338123 /nfs/dbraw/zinc/33/81/23/173338123.db2.gz OFKOIORIWBPXLF-UHFFFAOYSA-N 2 2 228.336 0.335 10 0 BCAELP C[NH2+]CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000077301767 173355982 /nfs/dbraw/zinc/35/59/82/173355982.db2.gz VJMYIBDGGURLRV-UHFFFAOYSA-N 2 2 208.261 0.724 10 0 BCAELP C[NH2+]CC[C@@H](C)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061654858 173357502 /nfs/dbraw/zinc/35/75/02/173357502.db2.gz BBHKAVSAELBVBB-CYBMUJFWSA-N 3 2 242.411 0.164 10 0 BCAELP C[NH2+]C[C@@]1(C[N@@H+]2CCO[C@@H](C)C2)CCOC1 ZINC000051210648 173373225 /nfs/dbraw/zinc/37/32/25/173373225.db2.gz GQDMHZVBAFKFIJ-NWDGAFQWSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@@]1(C[N@H+]2CCO[C@@H](C)C2)CCOC1 ZINC000051210648 173373226 /nfs/dbraw/zinc/37/32/26/173373226.db2.gz GQDMHZVBAFKFIJ-NWDGAFQWSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@H](O)C[N@@H+]1CCc2sccc2C1 ZINC000019863958 173376571 /nfs/dbraw/zinc/37/65/71/173376571.db2.gz SGEYTIWPOPGXNZ-JTQLQIEISA-N 2 2 226.345 0.687 10 0 BCAELP C[NH2+]C[C@H](O)C[N@H+]1CCc2sccc2C1 ZINC000019863958 173376572 /nfs/dbraw/zinc/37/65/72/173376572.db2.gz SGEYTIWPOPGXNZ-JTQLQIEISA-N 2 2 226.345 0.687 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000040601638 173378786 /nfs/dbraw/zinc/37/87/86/173378786.db2.gz VUUWRBWUSJYFKE-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000040601638 173378784 /nfs/dbraw/zinc/37/87/84/173378784.db2.gz VUUWRBWUSJYFKE-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@@H]1CCCOC1 ZINC000062232058 173426383 /nfs/dbraw/zinc/42/63/83/173426383.db2.gz KGIRYSYZAMZGLU-ZJUUUORDSA-N 2 2 209.293 0.967 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])cc(OC)c1OC ZINC000035677135 175014081 /nfs/dbraw/zinc/01/40/81/175014081.db2.gz QCMLMROPOBTUCF-QMMMGPOBSA-N 2 2 226.276 0.671 10 0 BCAELP C[C@@H]1CCN(Cc2[nH+]ccn2C)[C@@H](C[NH3+])C1 ZINC000235343955 176179238 /nfs/dbraw/zinc/17/92/38/176179238.db2.gz VKFXQYYJHKKHDF-GHMZBOCLSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCOCC2)CCO1 ZINC000036304793 176279894 /nfs/dbraw/zinc/27/98/94/176279894.db2.gz IPWVXFREPLNKEW-SNVBAGLBSA-N 2 2 214.309 0.215 10 0 BCAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCOCC2)CCO1 ZINC000036304793 176279896 /nfs/dbraw/zinc/27/98/96/176279896.db2.gz IPWVXFREPLNKEW-SNVBAGLBSA-N 2 2 214.309 0.215 10 0 BCAELP C[C@@H]1CN(Cc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000280131436 176302223 /nfs/dbraw/zinc/30/22/23/176302223.db2.gz AXPWFNYAAKUGDP-MWLCHTKSSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1CN(Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000280131436 176302225 /nfs/dbraw/zinc/30/22/25/176302225.db2.gz AXPWFNYAAKUGDP-MWLCHTKSSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH3+])CCO1 ZINC000052382442 176309121 /nfs/dbraw/zinc/30/91/21/176309121.db2.gz GJZVKCSBGVSYHZ-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH3+])CCO1 ZINC000052382442 176309123 /nfs/dbraw/zinc/30/91/23/176309123.db2.gz GJZVKCSBGVSYHZ-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000104225564 176329459 /nfs/dbraw/zinc/32/94/59/176329459.db2.gz ZDPMHXPTKVQWKM-ZJUUUORDSA-N 2 2 248.330 0.942 10 0 BCAELP C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)[NH2+]1 ZINC000019488485 177112997 /nfs/dbraw/zinc/11/29/97/177112997.db2.gz RMRIGWPTBQXIFP-QWRGUYRKSA-N 2 2 225.336 0.291 10 0 BCAELP C[C@H]1CC[N@H+](C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662293 177161533 /nfs/dbraw/zinc/16/15/33/177161533.db2.gz DVIGVFQLENFZGP-WDEREUQCSA-N 2 2 214.309 0.086 10 0 BCAELP C[C@H]1CC[N@@H+](C[C@@H]2COCCO2)CC[NH2+]1 ZINC000049662293 177161534 /nfs/dbraw/zinc/16/15/34/177161534.db2.gz DVIGVFQLENFZGP-WDEREUQCSA-N 2 2 214.309 0.086 10 0 BCAELP C[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1[NH3+] ZINC000235650477 177256392 /nfs/dbraw/zinc/25/63/92/177256392.db2.gz JTGDJMIRGWMQBV-ONGXEEELSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1[NH3+] ZINC000235650477 177256394 /nfs/dbraw/zinc/25/63/94/177256394.db2.gz JTGDJMIRGWMQBV-ONGXEEELSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000271563840 177271920 /nfs/dbraw/zinc/27/19/20/177271920.db2.gz NTAIFVHYYZPQTO-VHSXEESVSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@H]1C[NH2+]CCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000049664146 177281769 /nfs/dbraw/zinc/28/17/69/177281769.db2.gz QLWZEBSIXSTXSW-WDEREUQCSA-N 2 2 246.376 0.105 10 0 BCAELP C[C@H]1C[NH2+]CCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC000049664146 177281770 /nfs/dbraw/zinc/28/17/70/177281770.db2.gz QLWZEBSIXSTXSW-WDEREUQCSA-N 2 2 246.376 0.105 10 0 BCAELP C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000309095066 177394236 /nfs/dbraw/zinc/39/42/36/177394236.db2.gz CLWXYDFYAXQIIE-VXNVDRBHSA-N 2 2 208.265 0.166 10 0 BCAELP C[C@H]1C[C@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000401505812 226358723 /nfs/dbraw/zinc/35/87/23/226358723.db2.gz RXWMEIAYNAQIIU-RYUDHWBXSA-N 2 2 223.320 0.976 10 0 BCAELP C[C@H]1C[C@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000401505812 226358724 /nfs/dbraw/zinc/35/87/24/226358724.db2.gz RXWMEIAYNAQIIU-RYUDHWBXSA-N 2 2 223.320 0.976 10 0 BCAELP Cc1c(C[NH2+]C[C@@H]2CCCC[NH2+]2)cnn1C ZINC000226302418 487708462 /nfs/dbraw/zinc/70/84/62/487708462.db2.gz PHSHFIRLOPEIAK-LBPRGKRZSA-N 2 2 222.336 0.960 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)N1CCn2cc[nH+]c2C1 ZINC000136457354 487737207 /nfs/dbraw/zinc/73/72/07/487737207.db2.gz SAQUMGVICJQKPJ-JTQLQIEISA-N 2 2 236.319 0.599 10 0 BCAELP CCc1cc(NC[C@@H]2COCC[NH2+]2)nc(C)[nH+]1 ZINC000234166629 487766199 /nfs/dbraw/zinc/76/61/99/487766199.db2.gz DAMNXFULSWNHKJ-LLVKDONJSA-N 2 2 236.319 0.748 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462357 487822558 /nfs/dbraw/zinc/82/25/58/487822558.db2.gz VVBZLBZCMRHWTB-UWVGGRQHSA-N 2 2 236.319 0.411 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)n1C ZINC000568269567 326337888 /nfs/dbraw/zinc/33/78/88/326337888.db2.gz PGTRLWVRMYSNNV-KCJUWKMLSA-N 2 2 236.319 0.485 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1C ZINC000568512147 326361769 /nfs/dbraw/zinc/36/17/69/326361769.db2.gz ILLPYBDCXISVMJ-UWVGGRQHSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1C ZINC000568512147 326361771 /nfs/dbraw/zinc/36/17/71/326361771.db2.gz ILLPYBDCXISVMJ-UWVGGRQHSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1C ZINC000568512148 326361818 /nfs/dbraw/zinc/36/18/18/326361818.db2.gz ILLPYBDCXISVMJ-VHSXEESVSA-N 2 2 237.351 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1C ZINC000568512148 326361819 /nfs/dbraw/zinc/36/18/19/326361819.db2.gz ILLPYBDCXISVMJ-VHSXEESVSA-N 2 2 237.351 0.547 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000085013747 488122731 /nfs/dbraw/zinc/12/27/31/488122731.db2.gz BRNUSZXLFZVXCN-DTWKUNHWSA-N 2 2 222.292 0.496 10 0 BCAELP [NH3+][C@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000085014118 488122754 /nfs/dbraw/zinc/12/27/54/488122754.db2.gz UHEHQGIURSJMTB-SFYZADRCSA-N 2 2 208.265 0.153 10 0 BCAELP [NH3+][C@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000085014118 488122757 /nfs/dbraw/zinc/12/27/57/488122757.db2.gz UHEHQGIURSJMTB-SFYZADRCSA-N 2 2 208.265 0.153 10 0 BCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)C1 ZINC000085014123 488122666 /nfs/dbraw/zinc/12/26/66/488122666.db2.gz UHEHQGIURSJMTB-HTQZYQBOSA-N 2 2 208.265 0.153 10 0 BCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)C1 ZINC000085014123 488122670 /nfs/dbraw/zinc/12/26/70/488122670.db2.gz UHEHQGIURSJMTB-HTQZYQBOSA-N 2 2 208.265 0.153 10 0 BCAELP CC(C)([NH3+])CCC(=O)N1CCn2cc[nH+]c2C1 ZINC000070088443 487548130 /nfs/dbraw/zinc/54/81/30/487548130.db2.gz DJIVWPKAVDRZHL-UHFFFAOYSA-N 2 2 236.319 0.743 10 0 BCAELP C[C@H](O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000235549231 487980837 /nfs/dbraw/zinc/98/08/37/487980837.db2.gz RHSMZNAEMATHNN-CMPLNLGQSA-N 2 2 228.336 0.068 10 0 BCAELP CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)nn1 ZINC000404459232 488161998 /nfs/dbraw/zinc/16/19/98/488161998.db2.gz PQQXIUKCLHURGV-NXEZZACHSA-N 2 2 223.324 0.386 10 0 BCAELP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)nn1 ZINC000404459234 488162506 /nfs/dbraw/zinc/16/25/06/488162506.db2.gz PQQXIUKCLHURGV-VHSXEESVSA-N 2 2 223.324 0.386 10 0 BCAELP Cc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)nc1 ZINC000400869317 490129357 /nfs/dbraw/zinc/12/93/57/490129357.db2.gz VPRGBMUMFFRYRB-UHFFFAOYSA-N 2 2 249.358 0.936 10 0 BCAELP O=C(C[C@H]1CCC[NH2+]C1)NCc1c[nH+]c[nH]1 ZINC000084081107 490365195 /nfs/dbraw/zinc/36/51/95/490365195.db2.gz STKAEVJLWFKMQE-SECBINFHSA-N 2 2 222.292 0.416 10 0 BCAELP O=C(C[C@H]1CCC[NH2+]C1)NCc1c[nH]c[nH+]1 ZINC000084081107 490365204 /nfs/dbraw/zinc/36/52/04/490365204.db2.gz STKAEVJLWFKMQE-SECBINFHSA-N 2 2 222.292 0.416 10 0 BCAELP C[C@H](C[C@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]1C(N)=O ZINC000757163152 582545610 /nfs/dbraw/zinc/54/56/10/582545610.db2.gz YTXCTOUBARVPIK-BBBLOLIVSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@H](C[C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]1C(N)=O ZINC000757163152 582545611 /nfs/dbraw/zinc/54/56/11/582545611.db2.gz YTXCTOUBARVPIK-BBBLOLIVSA-N 2 2 211.309 0.077 10 0 BCAELP CCOC(=O)[C@H](Cn1cc[nH+]c1C)[NH2+]C ZINC000045432806 582878938 /nfs/dbraw/zinc/87/89/38/582878938.db2.gz MEIXKARAJSBRCB-VIFPVBQESA-N 2 2 211.265 0.343 10 0 BCAELP C[C@]([NH3+])(CCCCn1cc[nH+]c1)C(N)=O ZINC000045431676 582878286 /nfs/dbraw/zinc/87/82/86/582878286.db2.gz ZQNFVVQGXKABKJ-JTQLQIEISA-N 2 2 210.281 0.256 10 0 BCAELP CC1(C)[C@@H]2C[N@@H+](Cc3noc(C[NH3+])n3)C[C@@H]21 ZINC000262138343 535043361 /nfs/dbraw/zinc/04/33/61/535043361.db2.gz DSASXMLIZVDSGS-OCAPTIKFSA-N 2 2 222.292 0.616 10 0 BCAELP CC1(C)[C@@H]2C[N@H+](Cc3noc(C[NH3+])n3)C[C@@H]21 ZINC000262138343 535043363 /nfs/dbraw/zinc/04/33/63/535043363.db2.gz DSASXMLIZVDSGS-OCAPTIKFSA-N 2 2 222.292 0.616 10 0 BCAELP CC1(C)CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261537826 535317553 /nfs/dbraw/zinc/31/75/53/535317553.db2.gz WJBXOHKQFZZTNW-UHFFFAOYSA-N 2 2 210.281 0.760 10 0 BCAELP CC1(C)CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261537826 535317557 /nfs/dbraw/zinc/31/75/57/535317557.db2.gz WJBXOHKQFZZTNW-UHFFFAOYSA-N 2 2 210.281 0.760 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1OCCC12CCC2 ZINC000757144997 582526192 /nfs/dbraw/zinc/52/61/92/582526192.db2.gz JXSVAECRUCLLDI-QWRGUYRKSA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1OCCC12CCC2 ZINC000757144997 582526194 /nfs/dbraw/zinc/52/61/94/582526194.db2.gz JXSVAECRUCLLDI-QWRGUYRKSA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@H]1OCCC12CCC2 ZINC000757145005 582526198 /nfs/dbraw/zinc/52/61/98/582526198.db2.gz JXSVAECRUCLLDI-WDEREUQCSA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@H]1OCCC12CCC2 ZINC000757145005 582526199 /nfs/dbraw/zinc/52/61/99/582526199.db2.gz JXSVAECRUCLLDI-WDEREUQCSA-N 2 2 210.321 0.979 10 0 BCAELP [NH3+][C@H]1C[NH2+]C[C@@H](c2ccc(C=O)s2)C1 ZINC000757218598 582561800 /nfs/dbraw/zinc/56/18/00/582561800.db2.gz VELHQQLEUVCRTM-JGVFFNPUSA-N 2 2 210.302 0.965 10 0 BCAELP Cn1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000395039442 583032481 /nfs/dbraw/zinc/03/24/81/583032481.db2.gz JCDSPCBMRDCOKK-CYBMUJFWSA-N 2 2 237.347 0.571 10 0 BCAELP Cn1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)c1 ZINC000395039442 583032482 /nfs/dbraw/zinc/03/24/82/583032482.db2.gz JCDSPCBMRDCOKK-CYBMUJFWSA-N 2 2 237.347 0.571 10 0 BCAELP CC(C)(C)C(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491391 583801003 /nfs/dbraw/zinc/80/10/03/583801003.db2.gz WTJPQLYNBSZGAI-UHFFFAOYSA-N 2 2 227.352 0.572 10 0 BCAELP [NH3+][C@H](CO)Cc1cn(CC2CCOCC2)c[nH+]1 ZINC000757185313 586434092 /nfs/dbraw/zinc/43/40/92/586434092.db2.gz DGMWFHJXUXCGKX-NSHDSACASA-N 2 2 239.319 0.172 10 0 BCAELP COC(=O)[C@@H]1C[NH2+]C[C@]12C[NH+]1CCC2CC1 ZINC000757185267 586434097 /nfs/dbraw/zinc/43/40/97/586434097.db2.gz QRWABILUNKEDML-CMPLNLGQSA-N 2 2 224.304 0.091 10 0 BCAELP CCCCCn1c[nH+]c(C[C@@H]([NH3+])CO)c1 ZINC000757190425 586435446 /nfs/dbraw/zinc/43/54/46/586435446.db2.gz PFAVPEDTCPUNIL-SNVBAGLBSA-N 2 2 211.309 0.935 10 0 BCAELP [NH3+]Cc1cccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])c1 ZINC000757215127 586440351 /nfs/dbraw/zinc/44/03/51/586440351.db2.gz NIOPPBSWFWPYQV-NEPJUHHUSA-N 3 2 205.305 0.897 10 0 BCAELP [NH3+]Cc1cccc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)c1 ZINC000757218147 586441710 /nfs/dbraw/zinc/44/17/10/586441710.db2.gz UDAGKQHMWFUCNX-NEPJUHHUSA-N 3 2 205.305 0.897 10 0 BCAELP [NH3+]Cc1cccc([C@H]2CC[C@H]([NH3+])C[NH2+]2)c1 ZINC000757218149 586441745 /nfs/dbraw/zinc/44/17/45/586441745.db2.gz UDAGKQHMWFUCNX-NWDGAFQWSA-N 3 2 205.305 0.897 10 0 BCAELP CCn1cc([C@@H]2C[C@H](C)[C@@H]([NH3+])C[NH2+]2)cn1 ZINC000757227380 586442897 /nfs/dbraw/zinc/44/28/97/586442897.db2.gz BNJIIDKBKYZBBR-LSJOCFKGSA-N 2 2 208.309 0.901 10 0 BCAELP NC(=O)C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2)C1 ZINC000211634226 591209355 /nfs/dbraw/zinc/20/93/55/591209355.db2.gz YXYDFGLNJOLNMY-CQSZACIVSA-N 2 2 247.342 0.855 10 0 BCAELP NC(=O)C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2)C1 ZINC000211634226 591209358 /nfs/dbraw/zinc/20/93/58/591209358.db2.gz YXYDFGLNJOLNMY-CQSZACIVSA-N 2 2 247.342 0.855 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NCC1CC([NH3+])C1 ZINC000091524975 632048779 /nfs/dbraw/zinc/04/87/79/632048779.db2.gz BUCLJQLCUQVRLT-UHFFFAOYSA-N 2 2 232.291 0.513 10 0 BCAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040503525 633817066 /nfs/dbraw/zinc/81/70/66/633817066.db2.gz AEEYXPFAENLWLP-UWVGGRQHSA-N 2 2 243.376 0.249 10 0 BCAELP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040503525 633817070 /nfs/dbraw/zinc/81/70/70/633817070.db2.gz AEEYXPFAENLWLP-UWVGGRQHSA-N 2 2 243.376 0.249 10 0 BCAELP C[NH2+][C@@](C)(CCn1cc[nH+]c1C)C(=O)OC ZINC000045433094 640556219 /nfs/dbraw/zinc/55/62/19/640556219.db2.gz CIICRONAPCJNQR-NSHDSACASA-N 2 2 225.292 0.733 10 0 BCAELP CNc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000227249998 640821902 /nfs/dbraw/zinc/82/19/02/640821902.db2.gz DBNWYGUXIHWKDJ-VHSXEESVSA-N 2 2 235.335 0.905 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000168933352 640833045 /nfs/dbraw/zinc/83/30/45/640833045.db2.gz WGXASWAASUYBLT-MNOVXSKESA-N 2 2 216.325 0.195 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000168933352 640833049 /nfs/dbraw/zinc/83/30/49/640833049.db2.gz WGXASWAASUYBLT-MNOVXSKESA-N 2 2 216.325 0.195 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000227910262 640853293 /nfs/dbraw/zinc/85/32/93/640853293.db2.gz CZFWVFMELUGSJO-GHMZBOCLSA-N 2 2 216.325 0.197 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000227910262 640853295 /nfs/dbraw/zinc/85/32/95/640853295.db2.gz CZFWVFMELUGSJO-GHMZBOCLSA-N 2 2 216.325 0.197 10 0 BCAELP CCc1[nH+]ccn1CC[C@@H]([NH2+]C)C(=O)OC ZINC000062537359 641059140 /nfs/dbraw/zinc/05/91/40/641059140.db2.gz NTXKRTMRXRAQEG-SECBINFHSA-N 2 2 225.292 0.597 10 0 BCAELP C[N@H+](CC(=O)NCC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669955 641192590 /nfs/dbraw/zinc/19/25/90/641192590.db2.gz SGXYVRCIILMEIN-GFCCVEGCSA-N 2 2 239.363 0.587 10 0 BCAELP C[N@@H+](CC(=O)NCC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669955 641192597 /nfs/dbraw/zinc/19/25/97/641192597.db2.gz SGXYVRCIILMEIN-GFCCVEGCSA-N 2 2 239.363 0.587 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000069660941 642893398 /nfs/dbraw/zinc/89/33/98/642893398.db2.gz VLLTVPLBAPBCFU-VXGBXAGGSA-N 2 2 230.352 0.586 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000069660941 642893404 /nfs/dbraw/zinc/89/34/04/642893404.db2.gz VLLTVPLBAPBCFU-VXGBXAGGSA-N 2 2 230.352 0.586 10 0 BCAELP C[NH2+][C@@]1(C(N)=O)CCC[C@@H](n2cc[nH+]c2)C1 ZINC000086604640 644155698 /nfs/dbraw/zinc/15/56/98/644155698.db2.gz BASIGDAESFPANX-KOLCDFICSA-N 2 2 222.292 0.442 10 0 BCAELP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094087856 644708107 /nfs/dbraw/zinc/70/81/07/644708107.db2.gz ORIQXCINQUEYFH-CYBMUJFWSA-N 2 2 247.342 0.676 10 0 BCAELP CNc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000249851248 644743790 /nfs/dbraw/zinc/74/37/90/644743790.db2.gz LQKHUNWGAGPZOE-JTQLQIEISA-N 2 2 233.319 0.803 10 0 BCAELP CNc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000249851248 644743795 /nfs/dbraw/zinc/74/37/95/644743795.db2.gz LQKHUNWGAGPZOE-JTQLQIEISA-N 2 2 233.319 0.803 10 0 BCAELP CCC[N@H+](C[C@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249995889 644746169 /nfs/dbraw/zinc/74/61/69/644746169.db2.gz GJKYPHQEIMJSRJ-STQMWFEESA-N 2 2 244.379 0.846 10 0 BCAELP CCC[N@@H+](C[C@H](O)COC(C)C)[C@H]1CC[NH2+]C1 ZINC000249995889 644746173 /nfs/dbraw/zinc/74/61/73/644746173.db2.gz GJKYPHQEIMJSRJ-STQMWFEESA-N 2 2 244.379 0.846 10 0 BCAELP C[NH2+]CC[N@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000720762113 712864395 /nfs/dbraw/zinc/86/43/95/712864395.db2.gz YSZZHVMHPWWZIW-GFCCVEGCSA-N 2 2 232.368 0.702 10 0 BCAELP C[NH2+]CC[N@@H+](C[C@@H](O)COC(C)C)C(C)C ZINC000720762113 712864397 /nfs/dbraw/zinc/86/43/97/712864397.db2.gz YSZZHVMHPWWZIW-GFCCVEGCSA-N 2 2 232.368 0.702 10 0 BCAELP C([C@@H]1CCCO1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257733579 711514443 /nfs/dbraw/zinc/51/44/43/711514443.db2.gz XOAVPFNYHILTJY-NWDGAFQWSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@@H]1CCCO1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257733579 711514446 /nfs/dbraw/zinc/51/44/46/711514446.db2.gz XOAVPFNYHILTJY-NWDGAFQWSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@H]1CCCO1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257680830 711726383 /nfs/dbraw/zinc/72/63/83/711726383.db2.gz KYTRJBOCNVUZID-VXGBXAGGSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@H]1CCCO1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000257680830 711726385 /nfs/dbraw/zinc/72/63/85/711726385.db2.gz KYTRJBOCNVUZID-VXGBXAGGSA-N 2 2 210.321 0.993 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000714454081 712490370 /nfs/dbraw/zinc/49/03/70/712490370.db2.gz BIZNWWZVLJGGCP-ZJUUUORDSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000714454081 712490371 /nfs/dbraw/zinc/49/03/71/712490371.db2.gz BIZNWWZVLJGGCP-ZJUUUORDSA-N 2 2 223.324 0.325 10 0 BCAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720606246 712857826 /nfs/dbraw/zinc/85/78/26/712857826.db2.gz KEZFSFYFCCEEPO-GARJFASQSA-N 2 2 237.351 0.854 10 0 BCAELP CC(C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c(N)c1 ZINC000685964234 538911164 /nfs/dbraw/zinc/91/11/64/538911164.db2.gz STSJXUDNSKFHIR-SECBINFHSA-N 2 2 212.297 0.166 10 0 BCAELP CC(C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c(N)c1 ZINC000685964234 538911165 /nfs/dbraw/zinc/91/11/65/538911165.db2.gz STSJXUDNSKFHIR-SECBINFHSA-N 2 2 212.297 0.166 10 0 BCAELP Cc1cc(N2CC[C@@](C)(C[NH3+])C2)nc[nH+]1 ZINC000235852011 178117754 /nfs/dbraw/zinc/11/77/54/178117754.db2.gz ZCAYTYUHMHROPH-NSHDSACASA-N 2 2 206.293 0.960 10 0 BCAELP Cc1cc(NC[C@H]2CN3CC[NH+]2CC3)cc[nH+]1 ZINC000302461242 178170283 /nfs/dbraw/zinc/17/02/83/178170283.db2.gz OYBNRRUBZVSUHJ-ZDUSSCGKSA-N 2 2 232.331 0.802 10 0 BCAELP CNC(=O)[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000179672466 538955445 /nfs/dbraw/zinc/95/54/45/538955445.db2.gz PUQDBYNCYUOPRQ-LLVKDONJSA-N 2 2 238.335 0.633 10 0 BCAELP C[C@@H]1CCC[N@H+](CC[C@H]([NH3+])C(N)=O)[C@@H]1C ZINC000062530725 539016682 /nfs/dbraw/zinc/01/66/82/539016682.db2.gz MMMJKSAGCWIHOB-BBBLOLIVSA-N 2 2 213.325 0.310 10 0 BCAELP C[C@@H]1CCC[N@@H+](CC[C@H]([NH3+])C(N)=O)[C@@H]1C ZINC000062530725 539016683 /nfs/dbraw/zinc/01/66/83/539016683.db2.gz MMMJKSAGCWIHOB-BBBLOLIVSA-N 2 2 213.325 0.310 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000382041840 398300376 /nfs/dbraw/zinc/30/03/76/398300376.db2.gz ITCHAMWSEZMZDA-NWDGAFQWSA-N 2 2 228.336 0.476 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000382041840 398300379 /nfs/dbraw/zinc/30/03/79/398300379.db2.gz ITCHAMWSEZMZDA-NWDGAFQWSA-N 2 2 228.336 0.476 10 0 BCAELP Cc1nc(N2CC[C@@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000045954673 343012485 /nfs/dbraw/zinc/01/24/85/343012485.db2.gz GGQGXMGWLCSEND-SNVBAGLBSA-N 2 2 206.293 0.939 10 0 BCAELP Cc1nc(N2CC[C@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000045954670 343012527 /nfs/dbraw/zinc/01/25/27/343012527.db2.gz GGQGXMGWLCSEND-JTQLQIEISA-N 2 2 206.293 0.939 10 0 BCAELP C[NH+]1CCC([NH2+]C2CCCC2)(C(N)=O)CC1 ZINC000037408016 343344539 /nfs/dbraw/zinc/34/45/39/343344539.db2.gz KSZPAAJYYPTYIQ-UHFFFAOYSA-N 2 2 225.336 0.468 10 0 BCAELP [NH3+][C@H]1CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000042188334 343431003 /nfs/dbraw/zinc/43/10/03/343431003.db2.gz BDAQYMXTRHAICD-RYUDHWBXSA-N 2 2 228.336 0.953 10 0 BCAELP [NH3+][C@H]1CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000042188334 343431006 /nfs/dbraw/zinc/43/10/06/343431006.db2.gz BDAQYMXTRHAICD-RYUDHWBXSA-N 2 2 228.336 0.953 10 0 BCAELP Nc1cccc(C2CCN(CC[NH3+])CC2)[nH+]1 ZINC000616619373 343523161 /nfs/dbraw/zinc/52/31/61/343523161.db2.gz IQNQKZVOOBKIOH-UHFFFAOYSA-N 2 2 220.320 0.802 10 0 BCAELP C[NH2+]CC(F)(F)CN1CC[NH+](C)CC1 ZINC000238323592 537818227 /nfs/dbraw/zinc/81/82/27/537818227.db2.gz SKEJUROTDAOMOC-UHFFFAOYSA-N 2 2 207.268 0.089 10 0 BCAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CC1)OCCO2 ZINC000043822785 344257448 /nfs/dbraw/zinc/25/74/48/344257448.db2.gz ZQFVRGNIQXCWBB-NEPJUHHUSA-N 2 2 240.347 0.964 10 0 BCAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CC1)OCCO2 ZINC000043822785 344257449 /nfs/dbraw/zinc/25/74/49/344257449.db2.gz ZQFVRGNIQXCWBB-NEPJUHHUSA-N 2 2 240.347 0.964 10 0 BCAELP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2F)C1 ZINC000641360659 362376334 /nfs/dbraw/zinc/37/63/34/362376334.db2.gz QHVRZDITPUTLLJ-SNVBAGLBSA-N 2 2 239.294 0.775 10 0 BCAELP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2F)C1 ZINC000641360659 362376341 /nfs/dbraw/zinc/37/63/41/362376341.db2.gz QHVRZDITPUTLLJ-SNVBAGLBSA-N 2 2 239.294 0.775 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767917 344279707 /nfs/dbraw/zinc/27/97/07/344279707.db2.gz PHKOEYIEKMTSLW-GWCFXTLKSA-N 2 2 248.330 0.426 10 0 BCAELP O=C(NCc1[nH]cc[nH+]1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768219 344280253 /nfs/dbraw/zinc/28/02/53/344280253.db2.gz ATAXSYIGXGOQKZ-CABZTGNLSA-N 2 2 234.303 0.416 10 0 BCAELP C[C@@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCc1nc[nH]c12 ZINC000400390413 537854391 /nfs/dbraw/zinc/85/43/91/537854391.db2.gz PEEKBYBRFNLKLH-BXKDBHETSA-N 2 2 220.320 0.865 10 0 BCAELP C[C@@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCc1nc[nH]c12 ZINC000400390413 537854401 /nfs/dbraw/zinc/85/44/01/537854401.db2.gz PEEKBYBRFNLKLH-BXKDBHETSA-N 2 2 220.320 0.865 10 0 BCAELP C[N@H+](CC[NH3+])Cc1c[nH]nc1-c1ccccn1 ZINC000221080895 344674607 /nfs/dbraw/zinc/67/46/07/344674607.db2.gz CREOQTRWBNVALP-UHFFFAOYSA-N 2 2 231.303 0.862 10 0 BCAELP C[N@@H+](CC[NH3+])Cc1c[nH]nc1-c1ccccn1 ZINC000221080895 344674609 /nfs/dbraw/zinc/67/46/09/344674609.db2.gz CREOQTRWBNVALP-UHFFFAOYSA-N 2 2 231.303 0.862 10 0 BCAELP CC[NH+]1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400452978 537856697 /nfs/dbraw/zinc/85/66/97/537856697.db2.gz PFLAHGQTSGHQOX-UHFFFAOYSA-N 2 2 220.320 0.866 10 0 BCAELP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261544927 534967671 /nfs/dbraw/zinc/96/76/71/534967671.db2.gz FGOSGMUZAFPQLW-RYUDHWBXSA-N 2 2 239.363 0.395 10 0 BCAELP CC(C)N(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261544927 534967674 /nfs/dbraw/zinc/96/76/74/534967674.db2.gz FGOSGMUZAFPQLW-RYUDHWBXSA-N 2 2 239.363 0.395 10 0 BCAELP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400555158 537857935 /nfs/dbraw/zinc/85/79/35/537857935.db2.gz KQLOTHCJDIMMAN-GFCCVEGCSA-N 2 2 220.320 0.866 10 0 BCAELP C[N@H+]1CCC[C@]2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400555158 537857942 /nfs/dbraw/zinc/85/79/42/537857942.db2.gz KQLOTHCJDIMMAN-GFCCVEGCSA-N 2 2 220.320 0.866 10 0 BCAELP COC(=O)[C@@H]([NH3+])[C@@H](C)n1cc(C)[nH+]c1C ZINC000715106997 537863240 /nfs/dbraw/zinc/86/32/40/537863240.db2.gz HXAVFSCBHJMPSW-APPZFPTMSA-N 2 2 211.265 0.561 10 0 BCAELP COC(=O)[C@](C)([NH3+])Cn1cc(C)[nH+]c1C ZINC000715150656 537865220 /nfs/dbraw/zinc/86/52/20/537865220.db2.gz KHTKCNRSJPRRRH-SNVBAGLBSA-N 2 2 211.265 0.390 10 0 BCAELP C[NH+](C)CC[C@@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000715206749 537869165 /nfs/dbraw/zinc/86/91/65/537869165.db2.gz DOYYROXRUKRAFN-LLVKDONJSA-N 2 2 208.309 0.722 10 0 BCAELP [NH3+]C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000238805431 345044369 /nfs/dbraw/zinc/04/43/69/345044369.db2.gz YMXRADSUILMSEP-NSHDSACASA-N 2 2 207.277 0.372 10 0 BCAELP CC[NH+]1CCC(C[N@@H+]2CCC(=O)C2)CC1 ZINC000044518777 345105537 /nfs/dbraw/zinc/10/55/37/345105537.db2.gz JUTGTWHSVWIPHX-UHFFFAOYSA-N 2 2 210.321 0.993 10 0 BCAELP CC[NH+]1CCC(C[N@H+]2CCC(=O)C2)CC1 ZINC000044518777 345105538 /nfs/dbraw/zinc/10/55/38/345105538.db2.gz JUTGTWHSVWIPHX-UHFFFAOYSA-N 2 2 210.321 0.993 10 0 BCAELP Cc1c(CC2=C[C@H]([NH3+])C[NH2+]C2)cnn1C ZINC000675078770 537901628 /nfs/dbraw/zinc/90/16/28/537901628.db2.gz SHUMYYCVUOGCBE-NSHDSACASA-N 2 2 206.293 0.128 10 0 BCAELP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263262154 535007622 /nfs/dbraw/zinc/00/76/22/535007622.db2.gz RBINGXVPWKSHNF-VIFPVBQESA-N 2 2 249.305 0.440 10 0 BCAELP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263262154 535007626 /nfs/dbraw/zinc/00/76/26/535007626.db2.gz RBINGXVPWKSHNF-VIFPVBQESA-N 2 2 249.305 0.440 10 0 BCAELP CCOc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC000215625098 345848076 /nfs/dbraw/zinc/84/80/76/345848076.db2.gz FTVJIPHSVIBSCD-UHFFFAOYSA-N 2 2 207.277 0.890 10 0 BCAELP Cc1cccc(N(C)CCN2CC[NH2+]CC2)[nH+]1 ZINC000071151068 179115993 /nfs/dbraw/zinc/11/59/93/179115993.db2.gz HREIWCHLFRVWLZ-UHFFFAOYSA-N 2 2 234.347 0.731 10 0 BCAELP Cc1cc([NH3+])ccc1N[C@@H]1C[NH2+]C[C@@H]1O ZINC000206324984 346745609 /nfs/dbraw/zinc/74/56/09/346745609.db2.gz GZRYKLNSRFNOMH-MNOVXSKESA-N 2 2 207.277 0.322 10 0 BCAELP CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325890 347210268 /nfs/dbraw/zinc/21/02/68/347210268.db2.gz HCJFQQSXCRKWLQ-LPEHRKFASA-N 2 2 214.309 0.465 10 0 BCAELP CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325890 347210271 /nfs/dbraw/zinc/21/02/71/347210271.db2.gz HCJFQQSXCRKWLQ-LPEHRKFASA-N 2 2 214.309 0.465 10 0 BCAELP Cc1cc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc(N)[nH+]1 ZINC000669385068 538019499 /nfs/dbraw/zinc/01/94/99/538019499.db2.gz WHMRVVYPAUIWCY-VHSXEESVSA-N 3 2 206.293 0.376 10 0 BCAELP Cc1nc(N2CC[N@@H+](C)C[C@H]2C[NH3+])sc1C ZINC000250957541 349180983 /nfs/dbraw/zinc/18/09/83/349180983.db2.gz LRYIGTQKWOPYMZ-SNVBAGLBSA-N 2 2 240.376 0.839 10 0 BCAELP Cc1nc(N2CC[N@H+](C)C[C@H]2C[NH3+])sc1C ZINC000250957541 349180987 /nfs/dbraw/zinc/18/09/87/349180987.db2.gz LRYIGTQKWOPYMZ-SNVBAGLBSA-N 2 2 240.376 0.839 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217933842 535092208 /nfs/dbraw/zinc/09/22/08/535092208.db2.gz XDRPQBPSRQQVKQ-NSHDSACASA-N 2 2 248.392 0.480 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217933842 535092214 /nfs/dbraw/zinc/09/22/14/535092214.db2.gz XDRPQBPSRQQVKQ-NSHDSACASA-N 2 2 248.392 0.480 10 0 BCAELP Cc1[nH+]c[nH]c1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000054794633 180121471 /nfs/dbraw/zinc/12/14/71/180121471.db2.gz AMRAONVXAWPTHP-QMMMGPOBSA-N 2 2 210.281 0.284 10 0 BCAELP Cc1[nH+]c[nH]c1C[NH2+][C@@H]1CCCNC1=O ZINC000054797447 180122492 /nfs/dbraw/zinc/12/24/92/180122492.db2.gz ZEYXUHMGDVHINN-MRVPVSSYSA-N 2 2 208.265 0.086 10 0 BCAELP Cc1[nH]c(C[NH2+][C@@H]2CCCNC2=O)c[nH+]1 ZINC000054822575 180155877 /nfs/dbraw/zinc/15/58/77/180155877.db2.gz NQHBHNGRACYBIA-SECBINFHSA-N 2 2 208.265 0.086 10 0 BCAELP Cc1nc(N2CC[C@@](C)(C[NH3+])C2)cc[nH+]1 ZINC000235971912 180194143 /nfs/dbraw/zinc/19/41/43/180194143.db2.gz IKLOONYXJXCZAH-NSHDSACASA-N 2 2 206.293 0.960 10 0 BCAELP Cc1nccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)n1 ZINC000045007771 180183388 /nfs/dbraw/zinc/18/33/88/180183388.db2.gz LEFKEBISIKZPIU-SNVBAGLBSA-N 2 2 220.320 0.826 10 0 BCAELP Cc1nccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)n1 ZINC000045007771 180183389 /nfs/dbraw/zinc/18/33/89/180183389.db2.gz LEFKEBISIKZPIU-SNVBAGLBSA-N 2 2 220.320 0.826 10 0 BCAELP C[N@H+](C1CC1)[C@@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225515939 350364948 /nfs/dbraw/zinc/36/49/48/350364948.db2.gz ZERVHBFNAFVTAO-KOLCDFICSA-N 2 2 211.309 0.206 10 0 BCAELP C[N@@H+](C1CC1)[C@@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000225515939 350364952 /nfs/dbraw/zinc/36/49/52/350364952.db2.gz ZERVHBFNAFVTAO-KOLCDFICSA-N 2 2 211.309 0.206 10 0 BCAELP Cc1nn(CCn2cc[nH+]c2)c(C)c1C[NH3+] ZINC000036868368 180388756 /nfs/dbraw/zinc/38/87/56/180388756.db2.gz LFFXFJUBQPUEKP-UHFFFAOYSA-N 2 2 219.292 0.855 10 0 BCAELP NC(=O)c1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616607720 350802255 /nfs/dbraw/zinc/80/22/55/350802255.db2.gz LVMQNPLEURCZHJ-LBPRGKRZSA-N 2 2 233.315 0.881 10 0 BCAELP NC(=O)c1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616607720 350802259 /nfs/dbraw/zinc/80/22/59/350802259.db2.gz LVMQNPLEURCZHJ-LBPRGKRZSA-N 2 2 233.315 0.881 10 0 BCAELP [NH3+]CC[NH+]1CCC(c2ccncn2)CC1 ZINC000616619114 350926611 /nfs/dbraw/zinc/92/66/11/350926611.db2.gz DJXTZJULQDFGIH-UHFFFAOYSA-N 2 2 206.293 0.615 10 0 BCAELP Nc1cccc(C2CC[NH+](CCO)CC2)[nH+]1 ZINC000616619514 350927516 /nfs/dbraw/zinc/92/75/16/350927516.db2.gz KRPBHHSHGGZLEJ-UHFFFAOYSA-N 2 2 221.304 0.836 10 0 BCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512274 351067651 /nfs/dbraw/zinc/06/76/51/351067651.db2.gz WPDVDBUGULFCQJ-ZYHUDNBSSA-N 2 2 236.319 0.530 10 0 BCAELP C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000079521315 351071110 /nfs/dbraw/zinc/07/11/10/351071110.db2.gz XQICOGZFPACAOH-GFCCVEGCSA-N 2 2 234.303 0.367 10 0 BCAELP [NH3+]CCN1CCCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616628344 351097416 /nfs/dbraw/zinc/09/74/16/351097416.db2.gz JSAAYVGOIBYPDW-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CCN1CCCOC[C@H]1c1[nH]cc[nH+]1 ZINC000616644715 351161968 /nfs/dbraw/zinc/16/19/68/351161968.db2.gz GVEMXWINRALNNC-VIFPVBQESA-N 2 2 210.281 0.132 10 0 BCAELP Nc1cccc([C@@H]2COCCCN2CC[NH3+])[nH+]1 ZINC000616645562 351168706 /nfs/dbraw/zinc/16/87/06/351168706.db2.gz OWBOUISYTDLPNC-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP Nc1cccc([C@H]2COCCCN2CC[NH3+])[nH+]1 ZINC000616646162 351170547 /nfs/dbraw/zinc/17/05/47/351170547.db2.gz OWBOUISYTDLPNC-LLVKDONJSA-N 2 2 236.319 0.386 10 0 BCAELP Nc1[nH+]cccc1[C@@H]1CCN(CC[NH3+])CCO1 ZINC000616665590 351223468 /nfs/dbraw/zinc/22/34/68/351223468.db2.gz NGYVXAZDUVWBLY-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C1 ZINC000393507149 259426035 /nfs/dbraw/zinc/42/60/35/259426035.db2.gz IDFBXVXVFQZEAF-UWVGGRQHSA-N 2 2 200.326 0.735 10 0 BCAELP CC1(C)C[N@H+](CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000304364895 188076496 /nfs/dbraw/zinc/07/64/96/188076496.db2.gz ZFKBZPDQPYIHAW-JTQLQIEISA-N 2 2 248.392 0.480 10 0 BCAELP CC1(C)C[N@@H+](CCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000304364895 188076497 /nfs/dbraw/zinc/07/64/97/188076497.db2.gz ZFKBZPDQPYIHAW-JTQLQIEISA-N 2 2 248.392 0.480 10 0 BCAELP Cc1cc(N)c[nH+]c1NCC[NH+]1CCOCC1 ZINC000036241438 188112962 /nfs/dbraw/zinc/11/29/62/188112962.db2.gz WMMJTLPFVFKSSE-UHFFFAOYSA-N 2 2 236.319 0.716 10 0 BCAELP Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000020315799 188175891 /nfs/dbraw/zinc/17/58/91/188175891.db2.gz ZFXROVHLUZVRBK-NSHDSACASA-N 2 2 208.309 0.652 10 0 BCAELP Cc1nn(C)cc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000020315799 188175892 /nfs/dbraw/zinc/17/58/92/188175892.db2.gz ZFXROVHLUZVRBK-NSHDSACASA-N 2 2 208.309 0.652 10 0 BCAELP CC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000389201081 355849111 /nfs/dbraw/zinc/84/91/11/355849111.db2.gz YTCSUOSOEBHJAZ-OLZOCXBDSA-N 2 2 241.379 0.391 10 0 BCAELP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000389201081 355849112 /nfs/dbraw/zinc/84/91/12/355849112.db2.gz YTCSUOSOEBHJAZ-OLZOCXBDSA-N 2 2 241.379 0.391 10 0 BCAELP CC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000389201081 355849114 /nfs/dbraw/zinc/84/91/14/355849114.db2.gz YTCSUOSOEBHJAZ-OLZOCXBDSA-N 2 2 241.379 0.391 10 0 BCAELP CC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000389201081 355849115 /nfs/dbraw/zinc/84/91/15/355849115.db2.gz YTCSUOSOEBHJAZ-OLZOCXBDSA-N 2 2 241.379 0.391 10 0 BCAELP NC(=O)C[N@H+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042438620 181229862 /nfs/dbraw/zinc/22/98/62/181229862.db2.gz BISQCLCEARNDMO-WDEREUQCSA-N 2 2 225.336 0.596 10 0 BCAELP NC(=O)C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000042438620 181229863 /nfs/dbraw/zinc/22/98/63/181229863.db2.gz BISQCLCEARNDMO-WDEREUQCSA-N 2 2 225.336 0.596 10 0 BCAELP NC(=O)[C@H](C1CCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000050272544 181276961 /nfs/dbraw/zinc/27/69/61/181276961.db2.gz AEEDAIMLOFGPJI-NSHDSACASA-N 2 2 225.336 0.326 10 0 BCAELP NC(=O)[C@H](C1CCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000050272544 181276964 /nfs/dbraw/zinc/27/69/64/181276964.db2.gz AEEDAIMLOFGPJI-NSHDSACASA-N 2 2 225.336 0.326 10 0 BCAELP Cn1c(Cl)cnc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077487 538513505 /nfs/dbraw/zinc/51/35/05/538513505.db2.gz FNZOWSUVFKRHJZ-MRVPVSSYSA-N 2 2 226.711 0.473 10 0 BCAELP CC(C)n1nncc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675078443 538515405 /nfs/dbraw/zinc/51/54/05/538515405.db2.gz PTCUOUSUOZYEJL-SECBINFHSA-N 2 2 207.281 0.173 10 0 BCAELP COc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)cn1 ZINC000675078773 538516311 /nfs/dbraw/zinc/51/63/11/538516311.db2.gz SJCLDJPKFCOILH-JTQLQIEISA-N 2 2 205.261 0.404 10 0 BCAELP CC(C)n1nncc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675078447 538516799 /nfs/dbraw/zinc/51/67/99/538516799.db2.gz PTCUOUSUOZYEJL-VIFPVBQESA-N 2 2 207.281 0.173 10 0 BCAELP [NH3+][C@H]1C=C(c2cnc(C3CC3)o2)C[NH2+]C1 ZINC000675077398 538512292 /nfs/dbraw/zinc/51/22/92/538512292.db2.gz DJSKGOQBIZSINR-VIFPVBQESA-N 2 2 205.261 0.866 10 0 BCAELP [NH3+][C@@H]1C=C(c2c(F)cncc2F)C[NH2+]C1 ZINC000675077345 538512583 /nfs/dbraw/zinc/51/25/83/538512583.db2.gz CRTXGCYVAZNDAY-SSDOTTSWSA-N 2 2 211.215 0.674 10 0 BCAELP COc1ncc(C2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675077235 538512814 /nfs/dbraw/zinc/51/28/14/538512814.db2.gz BHTGTIVORLRPHR-ZETCQYMHSA-N 2 2 211.290 0.466 10 0 BCAELP COc1ccc[nH+]c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000160294166 357741560 /nfs/dbraw/zinc/74/15/60/357741560.db2.gz FQTLLCCBRUYJRF-AOOOYVTPSA-N 2 2 219.288 0.746 10 0 BCAELP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000235657354 357927340 /nfs/dbraw/zinc/92/73/40/357927340.db2.gz VZUUIDZGCKWCSA-VHSXEESVSA-N 2 2 222.292 0.079 10 0 BCAELP C[N@@H+]1CCN(c2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000226623143 358342869 /nfs/dbraw/zinc/34/28/69/358342869.db2.gz JIIVSNMPSLWCTE-JTQLQIEISA-N 2 2 224.283 0.300 10 0 BCAELP C[N@H+]1CCN(c2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000226623143 358342873 /nfs/dbraw/zinc/34/28/73/358342873.db2.gz JIIVSNMPSLWCTE-JTQLQIEISA-N 2 2 224.283 0.300 10 0 BCAELP C[C@H](C[C@H](C)[NH3+])Nc1[nH+]cnc2c1cnn2C ZINC000228267676 358372305 /nfs/dbraw/zinc/37/23/05/358372305.db2.gz CMSOSPXOCDXAHP-JGVFFNPUSA-N 2 2 234.307 0.901 10 0 BCAELP c1c[nH+]c(CN2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000247734412 359243493 /nfs/dbraw/zinc/24/34/93/359243493.db2.gz VHPZZQWKLZDXSR-JTQLQIEISA-N 2 2 206.293 0.690 10 0 BCAELP c1c[nH+]c(CN2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000247734412 359243496 /nfs/dbraw/zinc/24/34/96/359243496.db2.gz VHPZZQWKLZDXSR-JTQLQIEISA-N 2 2 206.293 0.690 10 0 BCAELP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCC[S@](=O)CC1 ZINC000306491599 360209056 /nfs/dbraw/zinc/20/90/56/360209056.db2.gz WFEZHAREGFXQHI-BHDSKKPTSA-N 2 2 218.366 0.424 10 0 BCAELP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCC[S@](=O)CC1 ZINC000306491599 360209058 /nfs/dbraw/zinc/20/90/58/360209058.db2.gz WFEZHAREGFXQHI-BHDSKKPTSA-N 2 2 218.366 0.424 10 0 BCAELP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CC[S@@](C)=O ZINC000306560119 360435151 /nfs/dbraw/zinc/43/51/51/360435151.db2.gz BANZJAVARPMESG-VYUIOLGVSA-N 2 2 204.339 0.177 10 0 BCAELP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CC[S@@](C)=O ZINC000306560119 360435153 /nfs/dbraw/zinc/43/51/53/360435153.db2.gz BANZJAVARPMESG-VYUIOLGVSA-N 2 2 204.339 0.177 10 0 BCAELP O[C@H](C[NH2+]CC1(F)CC1)C[NH+]1CCCCC1 ZINC000309577239 491152063 /nfs/dbraw/zinc/15/20/63/491152063.db2.gz PCTSPERDDDNQAE-LLVKDONJSA-N 2 2 230.327 0.925 10 0 BCAELP [NH3+]C1CCC([NH2+][C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000051692753 181342474 /nfs/dbraw/zinc/34/24/74/181342474.db2.gz IDNNFQYLFMYWOZ-WXRRBKDZSA-N 3 2 223.364 0.940 10 0 BCAELP CCOCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630356052 364077061 /nfs/dbraw/zinc/07/70/61/364077061.db2.gz NFYHJFRSBNUYSA-MNOVXSKESA-N 2 2 216.325 0.461 10 0 BCAELP CCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630356052 364077066 /nfs/dbraw/zinc/07/70/66/364077066.db2.gz NFYHJFRSBNUYSA-MNOVXSKESA-N 2 2 216.325 0.461 10 0 BCAELP COCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630358611 364078617 /nfs/dbraw/zinc/07/86/17/364078617.db2.gz AYBQQCNJDPWPOI-VHSXEESVSA-N 2 2 202.298 0.071 10 0 BCAELP COCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630358611 364078621 /nfs/dbraw/zinc/07/86/21/364078621.db2.gz AYBQQCNJDPWPOI-VHSXEESVSA-N 2 2 202.298 0.071 10 0 BCAELP CC[C@]([NH3+])(CCCn1cc[nH+]c1)C(N)=O ZINC000725256038 541332895 /nfs/dbraw/zinc/33/28/95/541332895.db2.gz QJIRHDSZJRAXSN-JTQLQIEISA-N 2 2 210.281 0.256 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630370319 364088001 /nfs/dbraw/zinc/08/80/01/364088001.db2.gz YZBZNRBQBINOSO-AVGNSLFASA-N 2 2 242.363 0.994 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630370319 364088002 /nfs/dbraw/zinc/08/80/02/364088002.db2.gz YZBZNRBQBINOSO-AVGNSLFASA-N 2 2 242.363 0.994 10 0 BCAELP [NH3+]CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037013457 181355524 /nfs/dbraw/zinc/35/55/24/181355524.db2.gz IJRPEQBFNWUQSQ-UHFFFAOYSA-N 2 2 216.244 0.770 10 0 BCAELP C[NH2+]CCOCCN(C)c1cc(C)[nH+]cn1 ZINC000630530342 364219054 /nfs/dbraw/zinc/21/90/54/364219054.db2.gz JOBLSEXBSAGKFQ-UHFFFAOYSA-N 2 2 224.308 0.457 10 0 BCAELP Cc1nc(N2C[C@H](C)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000630552387 364246505 /nfs/dbraw/zinc/24/65/05/364246505.db2.gz FAIUQBZKGXAFEQ-WPRPVWTQSA-N 2 2 206.293 0.816 10 0 BCAELP Cc1cc(N2C[C@H](C)[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000630575022 364273866 /nfs/dbraw/zinc/27/38/66/364273866.db2.gz WSIDHDODASSITC-WPRPVWTQSA-N 2 2 206.293 0.816 10 0 BCAELP [NH3+]CCC(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000037045769 181369204 /nfs/dbraw/zinc/36/92/04/181369204.db2.gz CQFBBYHOWJVWFK-UWVGGRQHSA-N 2 2 222.292 0.442 10 0 BCAELP [NH3+]CCN1CC[NH+](Cc2ccccc2F)CC1 ZINC000019933491 181391521 /nfs/dbraw/zinc/39/15/21/181391521.db2.gz IEFLXTMIRICCCV-UHFFFAOYSA-N 2 2 237.322 0.902 10 0 BCAELP CCC[NH+](CCC)[C@@H]1C[NH2+]CC[C@@H]1O ZINC000675060623 541464087 /nfs/dbraw/zinc/46/40/87/541464087.db2.gz JUXWMLDGMISOHT-MNOVXSKESA-N 2 2 200.326 0.831 10 0 BCAELP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000383747809 367651456 /nfs/dbraw/zinc/65/14/56/367651456.db2.gz DIVQHAMZLPTZDP-VXGBXAGGSA-N 2 2 243.395 0.229 10 0 BCAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000383747809 367651457 /nfs/dbraw/zinc/65/14/57/367651457.db2.gz DIVQHAMZLPTZDP-VXGBXAGGSA-N 2 2 243.395 0.229 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492980 367981498 /nfs/dbraw/zinc/98/14/98/367981498.db2.gz URLAFSQEUDZZST-RWMBFGLXSA-N 2 2 241.379 0.437 10 0 BCAELP [NH3+][C@@H]1CC[N@H+](C[C@H]2CSCCS2)C1 ZINC000253039207 368318756 /nfs/dbraw/zinc/31/87/56/368318756.db2.gz ZSWFRZWHBHBUFC-BDAKNGLRSA-N 2 2 218.391 0.868 10 0 BCAELP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CSCCS2)C1 ZINC000253039207 368318761 /nfs/dbraw/zinc/31/87/61/368318761.db2.gz ZSWFRZWHBHBUFC-BDAKNGLRSA-N 2 2 218.391 0.868 10 0 BCAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000313254378 370574398 /nfs/dbraw/zinc/57/43/98/370574398.db2.gz SGKMXFTXMMYMKU-VXGBXAGGSA-N 2 2 223.320 0.856 10 0 BCAELP CCCn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838055 372630885 /nfs/dbraw/zinc/63/08/85/372630885.db2.gz ZGOSFKPLWIZMAK-MNOVXSKESA-N 2 2 237.351 0.715 10 0 BCAELP CCCn1ncnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838055 372630889 /nfs/dbraw/zinc/63/08/89/372630889.db2.gz ZGOSFKPLWIZMAK-MNOVXSKESA-N 2 2 237.351 0.715 10 0 BCAELP O=C(C[C@H]1CCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254614 182027506 /nfs/dbraw/zinc/02/75/06/182027506.db2.gz SCPGVAOHPZJIBZ-SNVBAGLBSA-N 2 2 234.303 0.367 10 0 BCAELP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000125145060 182211262 /nfs/dbraw/zinc/21/12/62/182211262.db2.gz WWHIGOXDTKDFAJ-VIFPVBQESA-N 2 2 222.292 0.068 10 0 BCAELP OCCOCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104418662 183081477 /nfs/dbraw/zinc/08/14/77/183081477.db2.gz WMADBZWYXZEXHC-CYBMUJFWSA-N 2 2 242.363 0.602 10 0 BCAELP OCCOCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000104418662 183081479 /nfs/dbraw/zinc/08/14/79/183081479.db2.gz WMADBZWYXZEXHC-CYBMUJFWSA-N 2 2 242.363 0.602 10 0 BCAELP O[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541380 183189318 /nfs/dbraw/zinc/18/93/18/183189318.db2.gz LKAAGLVUEUOHIM-WDEREUQCSA-N 2 2 209.293 0.776 10 0 BCAELP CCC[N@H+]([C@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC000037469594 169091245 /nfs/dbraw/zinc/09/12/45/169091245.db2.gz WWDCUENCPAGGRV-NSHDSACASA-N 2 2 226.320 0.766 10 0 BCAELP CCC[N@@H+]([C@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC000037469594 169091247 /nfs/dbraw/zinc/09/12/47/169091247.db2.gz WWDCUENCPAGGRV-NSHDSACASA-N 2 2 226.320 0.766 10 0 BCAELP c1c[nH]c(C[NH2+]CCC[NH+]2CCOCC2)c1 ZINC000048408679 183325016 /nfs/dbraw/zinc/32/50/16/183325016.db2.gz LNUIPOVWQMDVLE-UHFFFAOYSA-N 2 2 223.320 0.827 10 0 BCAELP CCC[NH2+]C[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188670 169263733 /nfs/dbraw/zinc/26/37/33/169263733.db2.gz DNYXIQPZWWHFQI-OLZOCXBDSA-N 3 2 243.395 0.230 10 0 BCAELP CCC[NH2+]C[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188670 169263736 /nfs/dbraw/zinc/26/37/36/169263736.db2.gz DNYXIQPZWWHFQI-OLZOCXBDSA-N 3 2 243.395 0.230 10 0 BCAELP CCC[NH2+]C[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188670 169263737 /nfs/dbraw/zinc/26/37/37/169263737.db2.gz DNYXIQPZWWHFQI-OLZOCXBDSA-N 3 2 243.395 0.230 10 0 BCAELP CCC[NH2+]C[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188670 169263739 /nfs/dbraw/zinc/26/37/39/169263739.db2.gz DNYXIQPZWWHFQI-OLZOCXBDSA-N 3 2 243.395 0.230 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048147 384284410 /nfs/dbraw/zinc/28/44/10/384284410.db2.gz HWMHSIKBXHHSDJ-DTWKUNHWSA-N 2 2 200.282 0.219 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048147 384284414 /nfs/dbraw/zinc/28/44/14/384284414.db2.gz HWMHSIKBXHHSDJ-DTWKUNHWSA-N 2 2 200.282 0.219 10 0 BCAELP COc1nccnc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000095071605 384340664 /nfs/dbraw/zinc/34/06/64/384340664.db2.gz QQPCQWCMXPWYCP-SECBINFHSA-N 2 2 222.292 0.266 10 0 BCAELP COc1nccnc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000095071605 384340672 /nfs/dbraw/zinc/34/06/72/384340672.db2.gz QQPCQWCMXPWYCP-SECBINFHSA-N 2 2 222.292 0.266 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335589003 384350098 /nfs/dbraw/zinc/35/00/98/384350098.db2.gz KFADBFZWVGCJNT-JQWIXIFHSA-N 2 2 223.320 0.894 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000335589003 384350103 /nfs/dbraw/zinc/35/01/03/384350103.db2.gz KFADBFZWVGCJNT-JQWIXIFHSA-N 2 2 223.320 0.894 10 0 BCAELP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068395 384329996 /nfs/dbraw/zinc/32/99/96/384329996.db2.gz MVYNNZSHJREIMY-ZJUUUORDSA-N 2 2 206.293 0.737 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+](CC(=O)c2ccc[nH]2)C1 ZINC000050250191 384612009 /nfs/dbraw/zinc/61/20/09/384612009.db2.gz LAOAVTQZZDKSGU-SECBINFHSA-N 2 2 207.277 0.478 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+](CC(=O)c2ccc[nH]2)C1 ZINC000050250191 384612013 /nfs/dbraw/zinc/61/20/13/384612013.db2.gz LAOAVTQZZDKSGU-SECBINFHSA-N 2 2 207.277 0.478 10 0 BCAELP Cc1cnn(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000309798183 384838355 /nfs/dbraw/zinc/83/83/55/384838355.db2.gz QQDPWWQFPLJFKF-NWDGAFQWSA-N 2 2 222.336 0.731 10 0 BCAELP Cc1cnn(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000309798183 384838363 /nfs/dbraw/zinc/83/83/63/384838363.db2.gz QQDPWWQFPLJFKF-NWDGAFQWSA-N 2 2 222.336 0.731 10 0 BCAELP CO[C@@H]1C[C@H](CO)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000310140549 384853501 /nfs/dbraw/zinc/85/35/01/384853501.db2.gz MXPXWRUJIKSCMH-VXGBXAGGSA-N 2 2 239.319 0.355 10 0 BCAELP CO[C@@H]1C[C@H](CO)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000310140549 384853507 /nfs/dbraw/zinc/85/35/07/384853507.db2.gz MXPXWRUJIKSCMH-VXGBXAGGSA-N 2 2 239.319 0.355 10 0 BCAELP CC[N@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000058041489 384979885 /nfs/dbraw/zinc/97/98/85/384979885.db2.gz UYSQIPDQTNSPFU-UWVGGRQHSA-N 2 2 243.351 0.885 10 0 BCAELP CC[N@@H+](C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000058041489 384979892 /nfs/dbraw/zinc/97/98/92/384979892.db2.gz UYSQIPDQTNSPFU-UWVGGRQHSA-N 2 2 243.351 0.885 10 0 BCAELP Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000310095045 386095867 /nfs/dbraw/zinc/09/58/67/386095867.db2.gz HQVHIHLWJXYQQH-APPZFPTMSA-N 2 2 236.323 0.149 10 0 BCAELP Cc1noc(CCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000647987665 386277402 /nfs/dbraw/zinc/27/74/02/386277402.db2.gz PCIOPABKMXXYSZ-WCBMZHEXSA-N 2 2 224.308 0.590 10 0 BCAELP Cc1noc(CCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000647987665 386277407 /nfs/dbraw/zinc/27/74/07/386277407.db2.gz PCIOPABKMXXYSZ-WCBMZHEXSA-N 2 2 224.308 0.590 10 0 BCAELP O=C([C@@H]1CCC[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000062254710 386507650 /nfs/dbraw/zinc/50/76/50/386507650.db2.gz FMEXBDOXULQGRI-SNVBAGLBSA-N 2 2 234.303 0.225 10 0 BCAELP CC(C)[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254722 386507884 /nfs/dbraw/zinc/50/78/84/386507884.db2.gz KBBDHMGQHZSYMZ-SNVBAGLBSA-N 2 2 222.292 0.209 10 0 BCAELP CO[C@@H]1C[C@@H](CO)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000284620902 387209078 /nfs/dbraw/zinc/20/90/78/387209078.db2.gz MXPXWRUJIKSCMH-NWDGAFQWSA-N 2 2 239.319 0.355 10 0 BCAELP CO[C@@H]1C[C@@H](CO)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000284620902 387209083 /nfs/dbraw/zinc/20/90/83/387209083.db2.gz MXPXWRUJIKSCMH-NWDGAFQWSA-N 2 2 239.319 0.355 10 0 BCAELP C[C@@H]1C[NH2+][C@](C)([C@@H]2C[NH2+]CCO2)S1 ZINC000575516830 387425011 /nfs/dbraw/zinc/42/50/11/387425011.db2.gz DLCWDDSELWVQPL-VGMNWLOBSA-N 2 2 202.323 0.416 10 0 BCAELP Cc1c(C[NH2+]CCC[NH+]2CCC2)cnn1C ZINC000515500083 387391033 /nfs/dbraw/zinc/39/10/33/387391033.db2.gz POCUGLDGPQZSMH-UHFFFAOYSA-N 2 2 222.336 0.914 10 0 BCAELP Cc1[nH+]cc(C[NH2+]CC2CC(O)C2)n1C ZINC000527816421 387734774 /nfs/dbraw/zinc/73/47/74/387734774.db2.gz NIKTZEPVTQQARS-UHFFFAOYSA-N 2 2 209.293 0.589 10 0 BCAELP CC1(C)C[NH2+][C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000646043911 388130549 /nfs/dbraw/zinc/13/05/49/388130549.db2.gz RJWDMALPZNIVQW-JTQLQIEISA-N 2 2 234.303 0.223 10 0 BCAELP COC[C@H]1CC[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000293551330 388389313 /nfs/dbraw/zinc/38/93/13/388389313.db2.gz LERXNVXCBAWEJA-SNVBAGLBSA-N 2 2 207.277 0.885 10 0 BCAELP COC[C@H]1CC[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000293551330 388389314 /nfs/dbraw/zinc/38/93/14/388389314.db2.gz LERXNVXCBAWEJA-SNVBAGLBSA-N 2 2 207.277 0.885 10 0 BCAELP C[NH+](C)[C@H](CNC1=[NH+]CCN1)c1ccsc1 ZINC000069350328 388414514 /nfs/dbraw/zinc/41/45/14/388414514.db2.gz BFESMADIZDAVLU-SNVBAGLBSA-N 2 2 238.360 0.900 10 0 BCAELP CC(C)C1([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000339506110 388484148 /nfs/dbraw/zinc/48/41/48/388484148.db2.gz BWUUOQXXGYSYPS-UHFFFAOYSA-N 2 2 239.363 0.539 10 0 BCAELP COC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226344899 388716088 /nfs/dbraw/zinc/71/60/88/388716088.db2.gz DAIZKMVHNKJLOH-UWVGGRQHSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226344899 388716090 /nfs/dbraw/zinc/71/60/90/388716090.db2.gz DAIZKMVHNKJLOH-UWVGGRQHSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070177985 388728860 /nfs/dbraw/zinc/72/88/60/388728860.db2.gz DAIZKMVHNKJLOH-NXEZZACHSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070177985 388728862 /nfs/dbraw/zinc/72/88/62/388728862.db2.gz DAIZKMVHNKJLOH-NXEZZACHSA-N 2 2 214.309 0.609 10 0 BCAELP CCc1cc(N)nc(N2CC[NH+](C)CC2)[nH+]1 ZINC000050846325 132359500 /nfs/dbraw/zinc/35/95/00/132359500.db2.gz MSXHQIXARZPCJS-UHFFFAOYSA-N 2 2 221.308 0.373 10 0 BCAELP Cc1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000057328693 132300935 /nfs/dbraw/zinc/30/09/35/132300935.db2.gz KPXOVRBSYVTPMJ-UHFFFAOYSA-N 2 2 218.304 0.683 10 0 BCAELP Cc1ccc(N2CCN(CC[NH3+])CC2)[nH+]c1 ZINC000037039476 132343390 /nfs/dbraw/zinc/34/33/90/132343390.db2.gz OVCLAYWIWZVETL-UHFFFAOYSA-N 2 2 220.320 0.471 10 0 BCAELP CCNc1[nH+]cnc(N2CC[NH+](C)CC2)c1N ZINC000040707226 132348266 /nfs/dbraw/zinc/34/82/66/132348266.db2.gz QEKPUAVFHDWBTK-UHFFFAOYSA-N 2 2 236.323 0.242 10 0 BCAELP C[C@H](C[NH3+])C[NH+]1CCN(c2ncccn2)CC1 ZINC000057402537 132365699 /nfs/dbraw/zinc/36/56/99/132365699.db2.gz QSPQOWWJTSBXEZ-LLVKDONJSA-N 2 2 235.335 0.193 10 0 BCAELP [NH3+]Cc1ccc(N2CCn3cc[nH+]c3C2)nn1 ZINC000062324446 132387352 /nfs/dbraw/zinc/38/73/52/132387352.db2.gz KPWTZIRTUSWZBO-UHFFFAOYSA-N 2 2 230.275 0.152 10 0 BCAELP NC(=[NH2+])c1ccc(N2CCn3cc[nH+]c3C2)nc1 ZINC000062252596 132387623 /nfs/dbraw/zinc/38/76/23/132387623.db2.gz QMGUPZFYHMHGKB-UHFFFAOYSA-N 2 2 242.286 0.582 10 0 BCAELP [NH3+]C[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019274599 132451112 /nfs/dbraw/zinc/45/11/12/132451112.db2.gz ICEDNRZKRXEBEA-ZDUSSCGKSA-N 2 2 235.331 0.128 10 0 BCAELP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000235657317 134596884 /nfs/dbraw/zinc/59/68/84/134596884.db2.gz VZUUIDZGCKWCSA-UWVGGRQHSA-N 2 2 222.292 0.079 10 0 BCAELP CC(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252971734 135118383 /nfs/dbraw/zinc/11/83/83/135118383.db2.gz YNMOJHOWRJGDKN-UPJWGTAASA-N 2 2 244.379 0.750 10 0 BCAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253199145 135123952 /nfs/dbraw/zinc/12/39/52/135123952.db2.gz SQIMQDQIWXQEMT-GHMZBOCLSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000253199145 135123953 /nfs/dbraw/zinc/12/39/53/135123953.db2.gz SQIMQDQIWXQEMT-GHMZBOCLSA-N 2 2 200.326 0.687 10 0 BCAELP Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000257664640 135138153 /nfs/dbraw/zinc/13/81/53/135138153.db2.gz CNYIQZOTROPQAR-LBPRGKRZSA-N 2 2 218.304 0.975 10 0 BCAELP Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000257664637 135138556 /nfs/dbraw/zinc/13/85/56/135138556.db2.gz CNYIQZOTROPQAR-GFCCVEGCSA-N 2 2 218.304 0.975 10 0 BCAELP Cc1cc[nH+]c(N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000257691233 135139144 /nfs/dbraw/zinc/13/91/44/135139144.db2.gz JFJZAFPGWVPGDR-ZDUSSCGKSA-N 2 2 246.358 0.874 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261532387 135162753 /nfs/dbraw/zinc/16/27/53/135162753.db2.gz ARLCNKLEZLEILW-QPUJVOFHSA-N 2 2 222.336 0.816 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261532387 135162754 /nfs/dbraw/zinc/16/27/54/135162754.db2.gz ARLCNKLEZLEILW-QPUJVOFHSA-N 2 2 222.336 0.816 10 0 BCAELP C[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261535487 135169953 /nfs/dbraw/zinc/16/99/53/135169953.db2.gz ZOYDRKAZDXQDCG-JQWIXIFHSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261535487 135169954 /nfs/dbraw/zinc/16/99/54/135169954.db2.gz ZOYDRKAZDXQDCG-JQWIXIFHSA-N 2 2 222.336 0.979 10 0 BCAELP COC[C@]1(CNc2cc[nH+]c(C)n2)CCC[NH2+]1 ZINC000261545154 135186735 /nfs/dbraw/zinc/18/67/35/135186735.db2.gz FRUHFNAGKYVAQH-GFCCVEGCSA-N 2 2 236.319 0.966 10 0 BCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261552976 135192451 /nfs/dbraw/zinc/19/24/51/135192451.db2.gz NNNWXYQQZAKUCW-NSHDSACASA-N 2 2 241.379 0.818 10 0 BCAELP CC(C)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261552976 135192452 /nfs/dbraw/zinc/19/24/52/135192452.db2.gz NNNWXYQQZAKUCW-NSHDSACASA-N 2 2 241.379 0.818 10 0 BCAELP OC[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261556564 135196819 /nfs/dbraw/zinc/19/68/19/135196819.db2.gz WCGJPBDKLJHWPE-VWYCJHECSA-N 2 2 216.300 0.391 10 0 BCAELP OC[C@@H]1C[C@H](F)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261556564 135196820 /nfs/dbraw/zinc/19/68/20/135196820.db2.gz WCGJPBDKLJHWPE-VWYCJHECSA-N 2 2 216.300 0.391 10 0 BCAELP OC[C@@H]1C[C@@H](F)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261556561 135197267 /nfs/dbraw/zinc/19/72/67/135197267.db2.gz WCGJPBDKLJHWPE-AXFHLTTASA-N 2 2 216.300 0.391 10 0 BCAELP OC[C@@H]1C[C@@H](F)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261556561 135197268 /nfs/dbraw/zinc/19/72/68/135197268.db2.gz WCGJPBDKLJHWPE-AXFHLTTASA-N 2 2 216.300 0.391 10 0 BCAELP Cn1cc[nH+]c1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261561509 135202470 /nfs/dbraw/zinc/20/24/70/135202470.db2.gz AQOBSESGAZNFCU-JTQLQIEISA-N 2 2 222.336 0.979 10 0 BCAELP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562324 135203919 /nfs/dbraw/zinc/20/39/19/135203919.db2.gz WFCZDPQBAMDUQK-MNOVXSKESA-N 2 2 241.379 0.960 10 0 BCAELP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261562324 135203920 /nfs/dbraw/zinc/20/39/20/135203920.db2.gz WFCZDPQBAMDUQK-MNOVXSKESA-N 2 2 241.379 0.960 10 0 BCAELP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261583546 135224095 /nfs/dbraw/zinc/22/40/95/135224095.db2.gz PCWQDMPOHSKHAD-RDDDGLTNSA-N 2 2 208.309 0.806 10 0 BCAELP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261583546 135224096 /nfs/dbraw/zinc/22/40/96/135224096.db2.gz PCWQDMPOHSKHAD-RDDDGLTNSA-N 2 2 208.309 0.806 10 0 BCAELP Cn1nccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261584554 135225749 /nfs/dbraw/zinc/22/57/49/135225749.db2.gz PYGJFRMCQHWHST-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP Cn1nccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261584554 135225751 /nfs/dbraw/zinc/22/57/51/135225751.db2.gz PYGJFRMCQHWHST-NSHDSACASA-N 2 2 222.336 0.979 10 0 BCAELP CN(C)c1nccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261804741 135254540 /nfs/dbraw/zinc/25/45/40/135254540.db2.gz WGIUPLJEOMCLMD-CYBMUJFWSA-N 2 2 249.362 0.713 10 0 BCAELP CN(C)c1nccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261804741 135254542 /nfs/dbraw/zinc/25/45/42/135254542.db2.gz WGIUPLJEOMCLMD-CYBMUJFWSA-N 2 2 249.362 0.713 10 0 BCAELP Cn1nncc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261837709 135256510 /nfs/dbraw/zinc/25/65/10/135256510.db2.gz ZLYRVHDIBAYWDL-SNVBAGLBSA-N 2 2 223.324 0.374 10 0 BCAELP Cn1nncc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261837709 135256512 /nfs/dbraw/zinc/25/65/12/135256512.db2.gz ZLYRVHDIBAYWDL-SNVBAGLBSA-N 2 2 223.324 0.374 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261973056 135267783 /nfs/dbraw/zinc/26/77/83/135267783.db2.gz DVPXIPGVGMBWSJ-GXSJLCMTSA-N 2 2 237.351 0.776 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261973056 135267785 /nfs/dbraw/zinc/26/77/85/135267785.db2.gz DVPXIPGVGMBWSJ-GXSJLCMTSA-N 2 2 237.351 0.776 10 0 BCAELP CS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261976367 135268713 /nfs/dbraw/zinc/26/87/13/135268713.db2.gz QUEZMMUCUORPDB-QWRGUYRKSA-N 2 2 246.376 0.105 10 0 BCAELP CS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261976367 135268714 /nfs/dbraw/zinc/26/87/14/135268714.db2.gz QUEZMMUCUORPDB-QWRGUYRKSA-N 2 2 246.376 0.105 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000262043095 135275800 /nfs/dbraw/zinc/27/58/00/135275800.db2.gz YPPYIQCWGOVHOB-QWHCGFSZSA-N 2 2 239.363 0.002 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000262043095 135275801 /nfs/dbraw/zinc/27/58/01/135275801.db2.gz YPPYIQCWGOVHOB-QWHCGFSZSA-N 2 2 239.363 0.002 10 0 BCAELP Cc1nc(C[C@H]2CCC[N@H+](CC[NH3+])C2)no1 ZINC000262735210 135315177 /nfs/dbraw/zinc/31/51/77/135315177.db2.gz CBXPSXKAPSIHDW-SNVBAGLBSA-N 2 2 224.308 0.591 10 0 BCAELP Cc1nc(C[C@H]2CCC[N@@H+](CC[NH3+])C2)no1 ZINC000262735210 135315178 /nfs/dbraw/zinc/31/51/78/135315178.db2.gz CBXPSXKAPSIHDW-SNVBAGLBSA-N 2 2 224.308 0.591 10 0 BCAELP Cc1nc(C)n(C[C@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000262934905 135324260 /nfs/dbraw/zinc/32/42/60/135324260.db2.gz IFPBFFZWHWNSGG-LBPRGKRZSA-N 2 2 237.351 0.566 10 0 BCAELP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000262934905 135324262 /nfs/dbraw/zinc/32/42/62/135324262.db2.gz IFPBFFZWHWNSGG-LBPRGKRZSA-N 2 2 237.351 0.566 10 0 BCAELP C[C@]([NH3+])(C(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000080626232 135383446 /nfs/dbraw/zinc/38/34/46/135383446.db2.gz XNWIBMYDEFJVSQ-CYBMUJFWSA-N 2 2 244.298 0.900 10 0 BCAELP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649588399 397979440 /nfs/dbraw/zinc/97/94/40/397979440.db2.gz MHBOJQMOTCNZNU-FRRDWIJNSA-N 2 2 242.363 0.864 10 0 BCAELP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649588399 397979444 /nfs/dbraw/zinc/97/94/44/397979444.db2.gz MHBOJQMOTCNZNU-FRRDWIJNSA-N 2 2 242.363 0.864 10 0 BCAELP CC(C)NC(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000037248978 167057833 /nfs/dbraw/zinc/05/78/33/167057833.db2.gz YVCPVCJPANKIHU-UHFFFAOYSA-N 2 2 213.325 0.195 10 0 BCAELP CC(C)NC(=O)C[NH2+]CCC[NH+](C)C ZINC000020054086 167058481 /nfs/dbraw/zinc/05/84/81/167058481.db2.gz PHPOOEFKSSZSEL-UHFFFAOYSA-N 2 2 201.314 0.052 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422237 167316909 /nfs/dbraw/zinc/31/69/09/167316909.db2.gz GIXQTGFVOMJVBB-QWRGUYRKSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422237 167316912 /nfs/dbraw/zinc/31/69/12/167316912.db2.gz GIXQTGFVOMJVBB-QWRGUYRKSA-N 2 2 248.392 0.479 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000393000357 410286581 /nfs/dbraw/zinc/28/65/81/410286581.db2.gz SJNRBQNVHAEARF-DCAQKATOSA-N 2 2 225.336 0.337 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000393000357 410286587 /nfs/dbraw/zinc/28/65/87/410286587.db2.gz SJNRBQNVHAEARF-DCAQKATOSA-N 2 2 225.336 0.337 10 0 BCAELP Cc1nc(NCCC2(C[NH3+])CC2)cc[nH+]1 ZINC000395895627 410867033 /nfs/dbraw/zinc/86/70/33/410867033.db2.gz JKOTWBIHSQUPMM-UHFFFAOYSA-N 2 2 206.293 0.748 10 0 BCAELP CC(C)[NH2+]CC[NH2+]CCCn1cc[nH+]c1 ZINC000049474768 167106551 /nfs/dbraw/zinc/10/65/51/167106551.db2.gz VBJBKMWAGXZHBR-UHFFFAOYSA-N 3 2 210.325 0.861 10 0 BCAELP CC(C)[NH2+]CC[NH2+]CCCn1ccnc1 ZINC000049474768 167106555 /nfs/dbraw/zinc/10/65/55/167106555.db2.gz VBJBKMWAGXZHBR-UHFFFAOYSA-N 2 2 210.325 0.861 10 0 BCAELP COc1ccc[nH+]c1N1CC[C@@H](C[NH3+])C1 ZINC000107203722 411132803 /nfs/dbraw/zinc/13/28/03/411132803.db2.gz PZQVKYHNPIGYCR-VIFPVBQESA-N 2 2 207.277 0.875 10 0 BCAELP Nc1cc([C@H]2CCOCCN2CC[NH3+])cc[nH+]1 ZINC000616658532 411287518 /nfs/dbraw/zinc/28/75/18/411287518.db2.gz UVSQJCTXLPQZNC-LLVKDONJSA-N 2 2 236.319 0.386 10 0 BCAELP CC[NH2+]C(C)(C)C(=O)N(C)Cc1[nH+]ccn1C ZINC000061296419 170106097 /nfs/dbraw/zinc/10/60/97/170106097.db2.gz AOJLFYKNCHZRHL-UHFFFAOYSA-N 2 2 238.335 0.767 10 0 BCAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(N)=O ZINC000054627028 170109366 /nfs/dbraw/zinc/10/93/66/170109366.db2.gz PITUQFVQKOFSIV-PBINXNQUSA-N 2 2 211.309 0.077 10 0 BCAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(N)=O ZINC000054627028 170109368 /nfs/dbraw/zinc/10/93/68/170109368.db2.gz PITUQFVQKOFSIV-PBINXNQUSA-N 2 2 211.309 0.077 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@H](C)C(=O)NC(C)C)CC1 ZINC000037536997 170109735 /nfs/dbraw/zinc/10/97/35/170109735.db2.gz YCGLLUPPJIXGNN-LLVKDONJSA-N 2 2 241.379 0.973 10 0 BCAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC ZINC000054601949 170109916 /nfs/dbraw/zinc/10/99/16/170109916.db2.gz SDLFBQALGQVNQD-YOGCLGLASA-N 2 2 239.363 0.727 10 0 BCAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC000054601949 170109917 /nfs/dbraw/zinc/10/99/17/170109917.db2.gz SDLFBQALGQVNQD-YOGCLGLASA-N 2 2 239.363 0.727 10 0 BCAELP CC[NH2+]C[C@@H](O)C[N@H+](CC)Cc1ccncc1 ZINC000042515612 170118730 /nfs/dbraw/zinc/11/87/30/170118730.db2.gz CEWCDIAAEUIIDG-CYBMUJFWSA-N 2 2 237.347 0.874 10 0 BCAELP CC[NH2+]C[C@@H](O)C[N@@H+](CC)Cc1ccncc1 ZINC000042515612 170118731 /nfs/dbraw/zinc/11/87/31/170118731.db2.gz CEWCDIAAEUIIDG-CYBMUJFWSA-N 2 2 237.347 0.874 10 0 BCAELP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000104417302 170140979 /nfs/dbraw/zinc/14/09/79/170140979.db2.gz ZTQZGJDIVDNJAI-RYUDHWBXSA-N 2 2 241.379 0.785 10 0 BCAELP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000104417302 170140980 /nfs/dbraw/zinc/14/09/80/170140980.db2.gz ZTQZGJDIVDNJAI-RYUDHWBXSA-N 2 2 241.379 0.785 10 0 BCAELP CCOC(=O)CC[NH2+]CCCn1cc[nH+]c1 ZINC000044288519 170209264 /nfs/dbraw/zinc/20/92/64/170209264.db2.gz XRYQSHFICQLFKT-UHFFFAOYSA-N 2 2 225.292 0.816 10 0 BCAELP CCOC(=O)CC[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000036671256 170209896 /nfs/dbraw/zinc/20/98/96/170209896.db2.gz PBSGCJNLOYAYJI-LLVKDONJSA-N 2 2 226.320 0.623 10 0 BCAELP CCOC(=O)CC[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000036671257 170210237 /nfs/dbraw/zinc/21/02/37/170210237.db2.gz PBSGCJNLOYAYJI-NSHDSACASA-N 2 2 226.320 0.623 10 0 BCAELP CCOC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750353 170222568 /nfs/dbraw/zinc/22/25/68/170222568.db2.gz BDRDBSUKZIFBBY-PBINXNQUSA-N 2 2 212.293 0.504 10 0 BCAELP CCOC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750353 170222569 /nfs/dbraw/zinc/22/25/69/170222569.db2.gz BDRDBSUKZIFBBY-PBINXNQUSA-N 2 2 212.293 0.504 10 0 BCAELP CCOC(=O)[C@]([NH3+])(CC)Cc1c[nH+]c[nH]1 ZINC000169318637 170285636 /nfs/dbraw/zinc/28/56/36/170285636.db2.gz MJPSAKZJDVHCFS-JTQLQIEISA-N 2 2 211.265 0.623 10 0 BCAELP C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C[N@@H+]1C1CC1 ZINC000657813149 411604313 /nfs/dbraw/zinc/60/43/13/411604313.db2.gz RGRYAMOYZRPHGJ-YYJSSNLHSA-N 2 2 224.348 0.972 10 0 BCAELP C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C[N@H+]1C1CC1 ZINC000657813149 411604314 /nfs/dbraw/zinc/60/43/14/411604314.db2.gz RGRYAMOYZRPHGJ-YYJSSNLHSA-N 2 2 224.348 0.972 10 0 BCAELP COC(=O)N1CC[NH2+]C[C@@H]1c1cc[nH+]c(N)c1 ZINC000616636407 411909924 /nfs/dbraw/zinc/90/99/24/411909924.db2.gz MLZQURKHURSKFX-SECBINFHSA-N 2 2 236.275 0.377 10 0 BCAELP Nc1cc([C@@H]2C[N@H+](CCO)CCO2)cc[nH+]1 ZINC000616649467 411947440 /nfs/dbraw/zinc/94/74/40/411947440.db2.gz UXCXJDDNWFOMGS-JTQLQIEISA-N 2 2 223.276 0.029 10 0 BCAELP Nc1cc([C@@H]2C[N@@H+](CCO)CCO2)cc[nH+]1 ZINC000616649467 411947444 /nfs/dbraw/zinc/94/74/44/411947444.db2.gz UXCXJDDNWFOMGS-JTQLQIEISA-N 2 2 223.276 0.029 10 0 BCAELP CC[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052177071 171094346 /nfs/dbraw/zinc/09/43/46/171094346.db2.gz RVAUDNNJRBFVDH-OLZOCXBDSA-N 2 2 242.363 0.851 10 0 BCAELP CC[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCOCC2)CCO1 ZINC000052177071 171094347 /nfs/dbraw/zinc/09/43/47/171094347.db2.gz RVAUDNNJRBFVDH-OLZOCXBDSA-N 2 2 242.363 0.851 10 0 BCAELP CC[C@H](C)[C@H](C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000041050124 171382736 /nfs/dbraw/zinc/38/27/36/171382736.db2.gz CKOVZYLPOMOHPP-VHSXEESVSA-N 2 2 213.325 0.182 10 0 BCAELP CC[C@H](C)[C@H](C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000041050124 171382738 /nfs/dbraw/zinc/38/27/38/171382738.db2.gz CKOVZYLPOMOHPP-VHSXEESVSA-N 2 2 213.325 0.182 10 0 BCAELP CCn1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nn1 ZINC000665245904 412191669 /nfs/dbraw/zinc/19/16/69/412191669.db2.gz UNDKYUYHQOWSSI-QWRGUYRKSA-N 2 2 237.351 0.776 10 0 BCAELP CCn1c(C)nnc1[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000042029937 172142070 /nfs/dbraw/zinc/14/20/70/172142070.db2.gz XCOLFUIEOCYJNP-SECBINFHSA-N 2 2 220.280 0.572 10 0 BCAELP CCn1c(C)nnc1[C@H]([NH3+])Cc1c[nH]c[nH+]1 ZINC000042029937 172142073 /nfs/dbraw/zinc/14/20/73/172142073.db2.gz XCOLFUIEOCYJNP-SECBINFHSA-N 2 2 220.280 0.572 10 0 BCAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C(C)(C)CO ZINC000054240426 173010791 /nfs/dbraw/zinc/01/07/91/173010791.db2.gz KJLRIBCXJQBOQV-JTQLQIEISA-N 2 2 200.326 0.831 10 0 BCAELP C[N@H+]1CCCC[C@H]1C[NH2+]C(C)(C)CO ZINC000054240426 173010792 /nfs/dbraw/zinc/01/07/92/173010792.db2.gz KJLRIBCXJQBOQV-JTQLQIEISA-N 2 2 200.326 0.831 10 0 BCAELP C[N@@H+]1CCC[C@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000044537328 173040382 /nfs/dbraw/zinc/04/03/82/173040382.db2.gz GWJFKNRKQMIWHU-NSHDSACASA-N 3 2 211.353 0.751 10 0 BCAELP C[N@H+]1CCC[C@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000044537328 173040384 /nfs/dbraw/zinc/04/03/84/173040384.db2.gz GWJFKNRKQMIWHU-NSHDSACASA-N 3 2 211.353 0.751 10 0 BCAELP C[NH+]1CCN(c2nc(C[NH2+]C3CC3)c[nH]2)CC1 ZINC000062821458 173094709 /nfs/dbraw/zinc/09/47/09/173094709.db2.gz SNDIVWFQNZWPBN-UHFFFAOYSA-N 2 2 235.335 0.414 10 0 BCAELP C[NH+]1CCN(c2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000032500375 173095917 /nfs/dbraw/zinc/09/59/17/173095917.db2.gz DEHTZQXUGULDPE-UHFFFAOYSA-N 2 2 231.303 0.897 10 0 BCAELP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000061988956 173123884 /nfs/dbraw/zinc/12/38/84/173123884.db2.gz ZEVXBOGNQHSIAG-GFCCVEGCSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000061988956 173123886 /nfs/dbraw/zinc/12/38/86/173123886.db2.gz ZEVXBOGNQHSIAG-GFCCVEGCSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@@H+]1CC[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000061984762 173124788 /nfs/dbraw/zinc/12/47/88/173124788.db2.gz JJARRXSYHLABGV-LLVKDONJSA-N 2 2 245.330 0.566 10 0 BCAELP C[N@H+]1CC[C@@H]([NH2+]CCc2nnc3ccccn32)C1 ZINC000061984762 173124790 /nfs/dbraw/zinc/12/47/90/173124790.db2.gz JJARRXSYHLABGV-LLVKDONJSA-N 2 2 245.330 0.566 10 0 BCAELP C[NH2+]C(C)(C)C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254510 173318603 /nfs/dbraw/zinc/31/86/03/173318603.db2.gz KAXYGHZKHQQRPU-UHFFFAOYSA-N 2 2 222.292 0.223 10 0 BCAELP C[NH2+]C(C)(C)C[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000061319788 173319304 /nfs/dbraw/zinc/31/93/04/173319304.db2.gz IYEZKQTWIZQARH-JTQLQIEISA-N 2 2 234.365 0.151 10 0 BCAELP C[NH2+]C1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000037469301 173323114 /nfs/dbraw/zinc/32/31/14/173323114.db2.gz CKJJGDCZJRJRRP-UHFFFAOYSA-N 2 2 227.352 0.537 10 0 BCAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000054627988 173323920 /nfs/dbraw/zinc/32/39/20/173323920.db2.gz ITMCDHBJAIEVSQ-FGWVZKOKSA-N 2 2 225.336 0.289 10 0 BCAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000054627988 173323921 /nfs/dbraw/zinc/32/39/21/173323921.db2.gz ITMCDHBJAIEVSQ-FGWVZKOKSA-N 2 2 225.336 0.289 10 0 BCAELP C[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000037802837 173326126 /nfs/dbraw/zinc/32/61/26/173326126.db2.gz SISKFRTWNVRMKH-UHFFFAOYSA-N 2 2 237.303 0.143 10 0 BCAELP C[NH2+]CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000193132259 173326385 /nfs/dbraw/zinc/32/63/85/173326385.db2.gz KLSCCLMTZFRIFL-SNVBAGLBSA-N 2 2 222.292 0.094 10 0 BCAELP C[NH2+]CC(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037045831 173331210 /nfs/dbraw/zinc/33/12/10/173331210.db2.gz VXMVXISCNPEJSI-NXEZZACHSA-N 2 2 222.292 0.312 10 0 BCAELP C[NH2+]C[C@@H]1C[N@H+](CCC(C)C)CCO1 ZINC000071508095 173371867 /nfs/dbraw/zinc/37/18/67/173371867.db2.gz NYEWWVRTAGCWBB-LLVKDONJSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@@H]1C[N@@H+](CCC(C)C)CCO1 ZINC000071508095 173371870 /nfs/dbraw/zinc/37/18/70/173371870.db2.gz NYEWWVRTAGCWBB-LLVKDONJSA-N 2 2 200.326 0.953 10 0 BCAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CC[C@@H](C)O ZINC000134118979 173378138 /nfs/dbraw/zinc/37/81/38/173378138.db2.gz LXUJQOCAZGQSBH-GHMZBOCLSA-N 2 2 200.326 0.831 10 0 BCAELP C[NH2+]C[C@H]1CCCC[N@H+]1CC[C@@H](C)O ZINC000134118979 173378140 /nfs/dbraw/zinc/37/81/40/173378140.db2.gz LXUJQOCAZGQSBH-GHMZBOCLSA-N 2 2 200.326 0.831 10 0 BCAELP C[NH2+]C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000053031031 173380952 /nfs/dbraw/zinc/38/09/52/173380952.db2.gz BUSIORGFWUTGIP-LLVKDONJSA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+]C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000053031031 173380953 /nfs/dbraw/zinc/38/09/53/173380953.db2.gz BUSIORGFWUTGIP-LLVKDONJSA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+]Cc1c(NC(C)=O)[o+]nn1C(C)C ZINC000083251478 173384805 /nfs/dbraw/zinc/38/48/05/173384805.db2.gz JQCNDINRTKAXNO-UHFFFAOYSA-O 2 2 213.261 0.221 10 0 BCAELP C[NH2+]Cc1cc(C[NH+]2CCSCC2)on1 ZINC000052425571 173387576 /nfs/dbraw/zinc/38/75/76/173387576.db2.gz HFYBSNOOEHITDF-UHFFFAOYSA-N 2 2 227.333 0.943 10 0 BCAELP COCCC[NH2+]CC[N@H+](C)C[C@H]1CCCOC1 ZINC000104191535 174246641 /nfs/dbraw/zinc/24/66/41/174246641.db2.gz NVKWRYINKTYBFF-CYBMUJFWSA-N 2 2 244.379 0.971 10 0 BCAELP COCCC[NH2+]CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000104191535 174246643 /nfs/dbraw/zinc/24/66/43/174246643.db2.gz NVKWRYINKTYBFF-CYBMUJFWSA-N 2 2 244.379 0.971 10 0 BCAELP COCC[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000053650314 174334628 /nfs/dbraw/zinc/33/46/28/174334628.db2.gz SDPGBVPXRYIXOE-NSHDSACASA-N 2 2 216.325 0.333 10 0 BCAELP COCC[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000053650314 174334630 /nfs/dbraw/zinc/33/46/30/174334630.db2.gz SDPGBVPXRYIXOE-NSHDSACASA-N 2 2 216.325 0.333 10 0 BCAELP COCCOCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000226971965 174354436 /nfs/dbraw/zinc/35/44/36/174354436.db2.gz VBGIBCQFXMHHJC-VXGBXAGGSA-N 2 2 230.352 0.709 10 0 BCAELP COCCOCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000226971965 174354437 /nfs/dbraw/zinc/35/44/37/174354437.db2.gz VBGIBCQFXMHHJC-VXGBXAGGSA-N 2 2 230.352 0.709 10 0 BCAELP COc1cc(OC)c([C@@H]([NH3+])C[NH3+])cc1OC ZINC000035677075 175007943 /nfs/dbraw/zinc/00/79/43/175007943.db2.gz HWQFWIQNXIJJNJ-QMMMGPOBSA-N 2 2 226.276 0.671 10 0 BCAELP COc1cc([C@@H]([NH3+])C[NH3+])c(Cl)cc1N ZINC000072200916 175013969 /nfs/dbraw/zinc/01/39/69/175013969.db2.gz GGZGRKITTKFGLA-QMMMGPOBSA-N 2 2 215.684 0.889 10 0 BCAELP COc1cccc(C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000037894661 175266008 /nfs/dbraw/zinc/26/60/08/175266008.db2.gz YTJBLKNQQBRRIQ-LBPRGKRZSA-N 2 2 238.331 0.707 10 0 BCAELP COc1ccccc1OC[C@H](C[NH3+])[NH+](C)C ZINC000020400014 175342009 /nfs/dbraw/zinc/34/20/09/175342009.db2.gz WAQJLOSGYDFJSN-JTQLQIEISA-N 2 2 224.304 0.963 10 0 BCAELP C[C@@H](c1cnn(C)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000044500909 176037331 /nfs/dbraw/zinc/03/73/31/176037331.db2.gz DPRFQVLPOUKIBQ-JTQLQIEISA-N 2 2 208.309 0.776 10 0 BCAELP C[C@@H](c1cnn(C)c1)[N@H+]1CCC[NH2+]CC1 ZINC000044500909 176037332 /nfs/dbraw/zinc/03/73/32/176037332.db2.gz DPRFQVLPOUKIBQ-JTQLQIEISA-N 2 2 208.309 0.776 10 0 BCAELP C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000104129125 176046839 /nfs/dbraw/zinc/04/68/39/176046839.db2.gz LQKDDDIBWJWTIY-SNVBAGLBSA-N 2 2 233.315 0.466 10 0 BCAELP C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000104129125 176046840 /nfs/dbraw/zinc/04/68/40/176046840.db2.gz LQKDDDIBWJWTIY-SNVBAGLBSA-N 2 2 233.315 0.466 10 0 BCAELP C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235352244 176302625 /nfs/dbraw/zinc/30/26/25/176302625.db2.gz WQPJNAYVUIDYOD-SKDRFNHKSA-N 2 2 233.315 0.565 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235352244 176302627 /nfs/dbraw/zinc/30/26/27/176302627.db2.gz WQPJNAYVUIDYOD-SKDRFNHKSA-N 2 2 233.315 0.565 10 0 BCAELP C[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000271563842 176312658 /nfs/dbraw/zinc/31/26/58/176312658.db2.gz NTAIFVHYYZPQTO-ZJUUUORDSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@@H]1COCC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052475863 176337545 /nfs/dbraw/zinc/33/75/45/176337545.db2.gz WJUYAFGFCRHDBG-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1COCC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052475863 176337547 /nfs/dbraw/zinc/33/75/47/176337547.db2.gz WJUYAFGFCRHDBG-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235615992 177167053 /nfs/dbraw/zinc/16/70/53/177167053.db2.gz ZOYDRKAZDXQDCG-CMPLNLGQSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235615992 177167054 /nfs/dbraw/zinc/16/70/54/177167054.db2.gz ZOYDRKAZDXQDCG-CMPLNLGQSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CCOCC1 ZINC000052177051 177293812 /nfs/dbraw/zinc/29/38/12/177293812.db2.gz FMEYLOBCSVRTPD-JQWIXIFHSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CCOCC1 ZINC000052177051 177293813 /nfs/dbraw/zinc/29/38/13/177293813.db2.gz FMEYLOBCSVRTPD-JQWIXIFHSA-N 2 2 228.336 0.461 10 0 BCAELP C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309817391 177393731 /nfs/dbraw/zinc/39/37/31/177393731.db2.gz VNRRZQMKWIWNPD-ZJUUUORDSA-N 2 2 222.292 0.140 10 0 BCAELP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1[NH3+] ZINC000314925467 487670357 /nfs/dbraw/zinc/67/03/57/487670357.db2.gz QBBBQMYRKUNPEO-PWSUYJOCSA-N 3 2 222.336 0.632 10 0 BCAELP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1[NH3+] ZINC000314925467 487670358 /nfs/dbraw/zinc/67/03/58/487670358.db2.gz QBBBQMYRKUNPEO-PWSUYJOCSA-N 3 2 222.336 0.632 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000089460286 487822418 /nfs/dbraw/zinc/82/24/18/487822418.db2.gz ZDWMLPKRQGQDAX-QWRGUYRKSA-N 2 2 236.319 0.374 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000080530549 487911435 /nfs/dbraw/zinc/91/14/35/487911435.db2.gz OYHJZXBDKOTKSI-VHSXEESVSA-N 2 2 236.319 0.886 10 0 BCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157933360 487930334 /nfs/dbraw/zinc/93/03/34/487930334.db2.gz TVAPQMIQMAWTTD-NXEZZACHSA-N 2 2 236.319 0.443 10 0 BCAELP C[C@@H](O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000235303810 487940379 /nfs/dbraw/zinc/94/03/79/487940379.db2.gz RHSMZNAEMATHNN-ZYHUDNBSSA-N 2 2 228.336 0.068 10 0 BCAELP Cc1cc(NC[C@H]2COCC[NH2+]2)nc(C)[nH+]1 ZINC000235827336 488023361 /nfs/dbraw/zinc/02/33/61/488023361.db2.gz XSKAGHSNJRPVOY-JTQLQIEISA-N 2 2 222.292 0.494 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000084311250 488044672 /nfs/dbraw/zinc/04/46/72/488044672.db2.gz VHZXENLFCLGPAK-DTWKUNHWSA-N 2 2 222.292 0.401 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC000128997619 488062749 /nfs/dbraw/zinc/06/27/49/488062749.db2.gz WUYWBFMJXFHQNF-JTQLQIEISA-N 2 2 224.308 0.373 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1[nH+]ccn1C ZINC000148573721 488104132 /nfs/dbraw/zinc/10/41/32/488104132.db2.gz INZOFGOSKRXQQT-JTQLQIEISA-N 2 2 238.335 0.752 10 0 BCAELP NC(=O)[C@@H]1CC[N@@H+]1CC1(C[NH3+])CCCC1 ZINC000757150623 582534791 /nfs/dbraw/zinc/53/47/91/582534791.db2.gz WMWPVGHRYGGIKI-VIFPVBQESA-N 2 2 211.309 0.065 10 0 BCAELP NC(=O)[C@@H]1CC[N@H+]1CC1(C[NH3+])CCCC1 ZINC000757150623 582534793 /nfs/dbraw/zinc/53/47/93/582534793.db2.gz WMWPVGHRYGGIKI-VIFPVBQESA-N 2 2 211.309 0.065 10 0 BCAELP COC[C@H]1CCOC2(CC[NH2+]CC2)[NH2+]1 ZINC000757153695 582538178 /nfs/dbraw/zinc/53/81/78/582538178.db2.gz YRHBHHJFDNNGAQ-SECBINFHSA-N 2 2 200.282 0.091 10 0 BCAELP COCCCOCC[N@@H+]1CC[C@@H]1C[NH3+] ZINC000757155896 582540023 /nfs/dbraw/zinc/54/00/23/582540023.db2.gz IWHFDMITFKPDPZ-SNVBAGLBSA-N 2 2 202.298 0.073 10 0 BCAELP COCCCOCC[N@H+]1CC[C@@H]1C[NH3+] ZINC000757155896 582540025 /nfs/dbraw/zinc/54/00/25/582540025.db2.gz IWHFDMITFKPDPZ-SNVBAGLBSA-N 2 2 202.298 0.073 10 0 BCAELP C[C@H](C[C@@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]1C(N)=O ZINC000757163169 582545373 /nfs/dbraw/zinc/54/53/73/582545373.db2.gz YTXCTOUBARVPIK-KXUCPTDWSA-N 2 2 211.309 0.077 10 0 BCAELP C[C@H](C[C@@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]1C(N)=O ZINC000757163169 582545374 /nfs/dbraw/zinc/54/53/74/582545374.db2.gz YTXCTOUBARVPIK-KXUCPTDWSA-N 2 2 211.309 0.077 10 0 BCAELP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261588232 535629630 /nfs/dbraw/zinc/62/96/30/535629630.db2.gz SEVVUFCNTLAJFR-DCAQKATOSA-N 2 2 246.376 0.090 10 0 BCAELP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261588232 535629632 /nfs/dbraw/zinc/62/96/32/535629632.db2.gz SEVVUFCNTLAJFR-DCAQKATOSA-N 2 2 246.376 0.090 10 0 BCAELP [NH3+]C[C@@H]1CCN1c1cccc2[nH+]ccn21 ZINC000757145447 582528137 /nfs/dbraw/zinc/52/81/37/582528137.db2.gz LLBLWSAURYITHP-VIFPVBQESA-N 2 2 202.261 0.872 10 0 BCAELP [NH3+][C@@H]1C[NH2+]C[C@H](c2ccc(C=O)s2)C1 ZINC000757218599 582561894 /nfs/dbraw/zinc/56/18/94/582561894.db2.gz VELHQQLEUVCRTM-SFYZADRCSA-N 2 2 210.302 0.965 10 0 BCAELP CCOC(=O)[C@](C)(Cn1cc[nH+]c1)[NH2+]C ZINC000045432187 582878150 /nfs/dbraw/zinc/87/81/50/582878150.db2.gz ZRMAWYRYDDIXKH-JTQLQIEISA-N 2 2 211.265 0.424 10 0 BCAELP CCCNC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491419 583801290 /nfs/dbraw/zinc/80/12/90/583801290.db2.gz WUMWKQIPWLNYHH-UHFFFAOYSA-N 2 2 228.340 0.119 10 0 BCAELP CCN1CCO[C@H](C[NH3+])[C@@H]1c1[nH+]ccn1C ZINC000385382560 585037166 /nfs/dbraw/zinc/03/71/66/585037166.db2.gz SKBREXSZSGLXRL-NXEZZACHSA-N 2 2 224.308 0.141 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+]1CCCO[C@@H]1CCOC1 ZINC000757152132 586429559 /nfs/dbraw/zinc/42/95/59/586429559.db2.gz YVHILPJBOWYKML-WDEREUQCSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+]1CCCO[C@@H]1CCOC1 ZINC000757152132 586429560 /nfs/dbraw/zinc/42/95/60/586429560.db2.gz YVHILPJBOWYKML-WDEREUQCSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]Cc1ccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])cc1 ZINC000757216539 586441053 /nfs/dbraw/zinc/44/10/53/586441053.db2.gz QGNAMZHSMPCNPH-NEPJUHHUSA-N 3 2 205.305 0.897 10 0 BCAELP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)nc(N)[nH+]1 ZINC000110489904 588674509 /nfs/dbraw/zinc/67/45/09/588674509.db2.gz NZIABAXFWKHADQ-SECBINFHSA-N 2 2 237.307 0.110 10 0 BCAELP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc(N)[nH+]1 ZINC000110489904 588674510 /nfs/dbraw/zinc/67/45/10/588674510.db2.gz NZIABAXFWKHADQ-SECBINFHSA-N 2 2 237.307 0.110 10 0 BCAELP C[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1[NH3+] ZINC000313559169 634483803 /nfs/dbraw/zinc/48/38/03/634483803.db2.gz NYXWZJDTZIXGLH-CYZMBNFOSA-N 2 2 220.316 0.999 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1[NH3+] ZINC000313559169 634483808 /nfs/dbraw/zinc/48/38/08/634483808.db2.gz NYXWZJDTZIXGLH-CYZMBNFOSA-N 2 2 220.316 0.999 10 0 BCAELP C[C@@H](C[NH3+])CNc1cc(N(C)C)nc[nH+]1 ZINC000258764152 635197399 /nfs/dbraw/zinc/19/73/99/635197399.db2.gz YBPAJBVKPYBGKS-QMMMGPOBSA-N 2 2 209.297 0.549 10 0 BCAELP C[C@@H](C[NH3+])CNc1cc(N(C)C)[nH+]cn1 ZINC000258764152 635197401 /nfs/dbraw/zinc/19/74/01/635197401.db2.gz YBPAJBVKPYBGKS-QMMMGPOBSA-N 2 2 209.297 0.549 10 0 BCAELP Cc1nonc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309275817 632875551 /nfs/dbraw/zinc/87/55/51/632875551.db2.gz DSYPASMOSYZHSQ-AEJSXWLSSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1nonc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309275817 632875554 /nfs/dbraw/zinc/87/55/54/632875554.db2.gz DSYPASMOSYZHSQ-AEJSXWLSSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1nnc(NCC[NH+]2CCC([NH3+])CC2)s1 ZINC000321395610 636641532 /nfs/dbraw/zinc/64/15/32/636641532.db2.gz RNGFKZLAGUKEJZ-UHFFFAOYSA-N 2 2 241.364 0.682 10 0 BCAELP C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]1([NH3+])CC(N)=O ZINC000211633892 636710328 /nfs/dbraw/zinc/71/03/28/636710328.db2.gz YUUOWUSRZOHSIA-SMDDNHRTSA-N 2 2 247.342 0.854 10 0 BCAELP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1([NH3+])CC(N)=O ZINC000211633892 636710333 /nfs/dbraw/zinc/71/03/33/636710333.db2.gz YUUOWUSRZOHSIA-SMDDNHRTSA-N 2 2 247.342 0.854 10 0 BCAELP C[NH2+][C@@](C)(CCCCn1cc[nH+]c1)C(N)=O ZINC000045431694 640557587 /nfs/dbraw/zinc/55/75/87/640557587.db2.gz STAVYHGKGLTSGE-NSHDSACASA-N 2 2 224.308 0.517 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000227882977 640852677 /nfs/dbraw/zinc/85/26/77/640852677.db2.gz RXOZMCCJNJQQKN-LBPRGKRZSA-N 2 2 230.352 0.459 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000227882977 640852680 /nfs/dbraw/zinc/85/26/80/640852680.db2.gz RXOZMCCJNJQQKN-LBPRGKRZSA-N 2 2 230.352 0.459 10 0 BCAELP CCOC(=O)[C@H]([NH3+])CCn1c[nH+]c(C)c1C ZINC000062538709 641056344 /nfs/dbraw/zinc/05/63/44/641056344.db2.gz KAUZASOZXYALKP-SNVBAGLBSA-N 2 2 225.292 0.780 10 0 BCAELP Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@H]1C[NH3+] ZINC000089092141 641426812 /nfs/dbraw/zinc/42/68/12/641426812.db2.gz LGWIEUUHYDHDEL-WPRPVWTQSA-N 2 2 246.318 0.903 10 0 BCAELP CCCc1[nH+]ccn1C[C@@](C)([NH3+])C(=O)OC ZINC000069964574 642945150 /nfs/dbraw/zinc/94/51/50/642945150.db2.gz UOZCEQDGSXRFSS-LLVKDONJSA-N 2 2 225.292 0.726 10 0 BCAELP CCOC(=O)[C@]1([NH3+])CC[C@@H](n2cc[nH+]c2)C1 ZINC000086626616 643636746 /nfs/dbraw/zinc/63/67/46/643636746.db2.gz QWSPGTLLRSYGDJ-KOLCDFICSA-N 2 2 223.276 0.869 10 0 BCAELP NC(=O)[C@]1([NH3+])CCC[C@@H]1CCn1cc[nH+]c1 ZINC000086547936 644148874 /nfs/dbraw/zinc/14/88/74/644148874.db2.gz DAUUCBGDDDJHMM-KOLCDFICSA-N 2 2 222.292 0.256 10 0 BCAELP c1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[NH2+]C1)O2 ZINC000086728895 644170339 /nfs/dbraw/zinc/17/03/39/644170339.db2.gz NVMZPDKQCOIPER-NWDGAFQWSA-N 2 2 218.300 0.942 10 0 BCAELP COCC1CC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000713962542 712475168 /nfs/dbraw/zinc/47/51/68/712475168.db2.gz YSIPAXXAVMQKBK-IKWCTNDRSA-N 2 2 242.363 0.768 10 0 BCAELP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cn(C)nn1 ZINC000720604333 712857992 /nfs/dbraw/zinc/85/79/92/712857992.db2.gz ZQONNFWRMXPSMM-GUBZILKMSA-N 2 2 223.324 0.464 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746054 712863386 /nfs/dbraw/zinc/86/33/86/712863386.db2.gz FMBHILQLADHVNY-WDEREUQCSA-N 2 2 230.352 0.441 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746054 712863389 /nfs/dbraw/zinc/86/33/89/712863389.db2.gz FMBHILQLADHVNY-WDEREUQCSA-N 2 2 230.352 0.441 10 0 BCAELP C[C@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460972 712901033 /nfs/dbraw/zinc/90/10/33/712901033.db2.gz FIYFENZWHOXDAB-RYUDHWBXSA-N 2 2 244.404 0.880 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CCS1 ZINC000380460972 712901034 /nfs/dbraw/zinc/90/10/34/712901034.db2.gz FIYFENZWHOXDAB-RYUDHWBXSA-N 2 2 244.404 0.880 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000380555247 712901679 /nfs/dbraw/zinc/90/16/79/712901679.db2.gz KRQXFRUZVKZROV-TUAOUCFPSA-N 2 2 230.352 0.586 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000380555247 712901680 /nfs/dbraw/zinc/90/16/80/712901680.db2.gz KRQXFRUZVKZROV-TUAOUCFPSA-N 2 2 230.352 0.586 10 0 BCAELP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)CS(C)(=O)=O ZINC000723882967 711543377 /nfs/dbraw/zinc/54/33/77/711543377.db2.gz NPBOPLNMSXWRTG-VIFPVBQESA-N 2 2 234.365 0.009 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702653143 712058595 /nfs/dbraw/zinc/05/85/95/712058595.db2.gz GGYORGGTIVBHBO-GMTAPVOTSA-N 2 2 216.325 0.194 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000702653143 712058597 /nfs/dbraw/zinc/05/85/97/712058597.db2.gz GGYORGGTIVBHBO-GMTAPVOTSA-N 2 2 216.325 0.194 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702653146 712058826 /nfs/dbraw/zinc/05/88/26/712058826.db2.gz GGYORGGTIVBHBO-OUAUKWLOSA-N 2 2 216.325 0.194 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000702653146 712058827 /nfs/dbraw/zinc/05/88/27/712058827.db2.gz GGYORGGTIVBHBO-OUAUKWLOSA-N 2 2 216.325 0.194 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715065874 712505073 /nfs/dbraw/zinc/50/50/73/712505073.db2.gz BUCLJQLCUQVRLT-OCAPTIKFSA-N 2 2 232.291 0.513 10 0 BCAELP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cn(C)nn1 ZINC000720582717 712854777 /nfs/dbraw/zinc/85/47/77/712854777.db2.gz IXBVSSJTGXGBCG-NXEZZACHSA-N 2 2 223.324 0.465 10 0 BCAELP COC(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720765931 712864149 /nfs/dbraw/zinc/86/41/49/712864149.db2.gz DLWPWEBDOPBFIM-QMMMGPOBSA-N 2 2 200.282 0.219 10 0 BCAELP COC(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720765931 712864151 /nfs/dbraw/zinc/86/41/51/712864151.db2.gz DLWPWEBDOPBFIM-QMMMGPOBSA-N 2 2 200.282 0.219 10 0 BCAELP C[NH2+]CC[N@H+](C[C@H](O)COC(C)C)C(C)C ZINC000720762115 712864262 /nfs/dbraw/zinc/86/42/62/712864262.db2.gz YSZZHVMHPWWZIW-LBPRGKRZSA-N 2 2 232.368 0.702 10 0 BCAELP C[NH2+]CC[N@@H+](C[C@H](O)COC(C)C)C(C)C ZINC000720762115 712864263 /nfs/dbraw/zinc/86/42/63/712864263.db2.gz YSZZHVMHPWWZIW-LBPRGKRZSA-N 2 2 232.368 0.702 10 0 BCAELP CC(C)N1CC[C@H]([NH3+])[C@@]12C[NH+]1CCC2CC1 ZINC000685955216 538900763 /nfs/dbraw/zinc/90/07/63/538900763.db2.gz WITDNCHBQACLQS-STQMWFEESA-N 2 2 223.364 0.892 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@@H](Nc2ccccn2)C1 ZINC000616612028 349468080 /nfs/dbraw/zinc/46/80/80/349468080.db2.gz MBJIXKDQBHMFSE-SNVBAGLBSA-N 2 2 206.293 0.527 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@@H](Nc2ccccn2)C1 ZINC000616612028 349468081 /nfs/dbraw/zinc/46/80/81/349468081.db2.gz MBJIXKDQBHMFSE-SNVBAGLBSA-N 2 2 206.293 0.527 10 0 BCAELP CCC[NH+](CCC)[C@H]1C[NH2+]CC[C@@H]1O ZINC000536954164 398198033 /nfs/dbraw/zinc/19/80/33/398198033.db2.gz JUXWMLDGMISOHT-QWRGUYRKSA-N 2 2 200.326 0.831 10 0 BCAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000616612658 349575026 /nfs/dbraw/zinc/57/50/26/349575026.db2.gz QKEBGTQUJROFNO-AWEZNQCLSA-N 2 2 234.343 0.969 10 0 BCAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc(CCO)cc2)C1 ZINC000616612658 349575028 /nfs/dbraw/zinc/57/50/28/349575028.db2.gz QKEBGTQUJROFNO-AWEZNQCLSA-N 2 2 234.343 0.969 10 0 BCAELP Nc1cccc([C@H]2CC[N@H+](CC[NH3+])C2)n1 ZINC000616612729 349586848 /nfs/dbraw/zinc/58/68/48/349586848.db2.gz RANQKZSXNKHDMH-VIFPVBQESA-N 2 2 206.293 0.412 10 0 BCAELP Nc1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)n1 ZINC000616612729 349586850 /nfs/dbraw/zinc/58/68/50/349586850.db2.gz RANQKZSXNKHDMH-VIFPVBQESA-N 2 2 206.293 0.412 10 0 BCAELP C[C@@H](CNC(=O)OC(C)(C)C)[C@H]([NH3+])C[NH3+] ZINC000306651587 361856110 /nfs/dbraw/zinc/85/61/10/361856110.db2.gz GGLZNOJSKKDWLF-JGVFFNPUSA-N 2 2 217.313 0.433 10 0 BCAELP Cc1cc(N2CC[NH+](C)CC2)[nH+]cc1N ZINC000036250878 343143118 /nfs/dbraw/zinc/14/31/18/343143118.db2.gz SVAFFLIUWPDVDW-UHFFFAOYSA-N 2 2 206.293 0.724 10 0 BCAELP CCc1cc(N2CCN(C)C[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000122792068 343160795 /nfs/dbraw/zinc/16/07/95/343160795.db2.gz NRXQUBRWDHZFTM-LBPRGKRZSA-N 2 2 249.362 0.427 10 0 BCAELP Nc1ccc(NC(=O)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000237859530 343214141 /nfs/dbraw/zinc/21/41/41/343214141.db2.gz UBMIWIJTHUDPLD-ZETCQYMHSA-N 2 2 206.249 0.212 10 0 BCAELP CC(C)n1cc[nH+]c1Cn1cc(CCC[NH3+])nn1 ZINC000641050857 362164736 /nfs/dbraw/zinc/16/47/36/362164736.db2.gz GFFVZUXVUJYSHY-UHFFFAOYSA-N 2 2 248.334 0.995 10 0 BCAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CC1)OCCO2 ZINC000043822794 343485467 /nfs/dbraw/zinc/48/54/67/343485467.db2.gz ZQFVRGNIQXCWBB-NWDGAFQWSA-N 2 2 240.347 0.964 10 0 BCAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CC1)OCCO2 ZINC000043822794 343485468 /nfs/dbraw/zinc/48/54/68/343485468.db2.gz ZQFVRGNIQXCWBB-NWDGAFQWSA-N 2 2 240.347 0.964 10 0 BCAELP C[NH+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000082943704 343472447 /nfs/dbraw/zinc/47/24/47/343472447.db2.gz FLRXZNLSQCUWQQ-DCAQKATOSA-N 2 2 212.337 0.951 10 0 BCAELP CCN1CCO[C@@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000385382561 537798449 /nfs/dbraw/zinc/79/84/49/537798449.db2.gz SKBREXSZSGLXRL-UWVGGRQHSA-N 2 2 224.308 0.141 10 0 BCAELP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641360658 362376284 /nfs/dbraw/zinc/37/62/84/362376284.db2.gz QHVRZDITPUTLLJ-JTQLQIEISA-N 2 2 239.294 0.775 10 0 BCAELP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2F)C1 ZINC000641360658 362376291 /nfs/dbraw/zinc/37/62/91/362376291.db2.gz QHVRZDITPUTLLJ-JTQLQIEISA-N 2 2 239.294 0.775 10 0 BCAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCOC2)CCS1 ZINC000220947529 344645647 /nfs/dbraw/zinc/64/56/47/344645647.db2.gz JYLSGWPNJQYMOC-NXEZZACHSA-N 2 2 216.350 0.542 10 0 BCAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCOC2)CCS1 ZINC000220947529 344645650 /nfs/dbraw/zinc/64/56/50/344645650.db2.gz JYLSGWPNJQYMOC-NXEZZACHSA-N 2 2 216.350 0.542 10 0 BCAELP C[NH2+][C@H](Cn1cc(C)[nH+]c1C)C(=O)OC ZINC000715150464 537865449 /nfs/dbraw/zinc/86/54/49/537865449.db2.gz GKVOAXCPTJCZBL-SECBINFHSA-N 2 2 211.265 0.261 10 0 BCAELP C[NH+](C)CC[C@]1(C)[NH2+]CCc2nc[nH]c21 ZINC000715206750 537869292 /nfs/dbraw/zinc/86/92/92/537869292.db2.gz DOYYROXRUKRAFN-NSHDSACASA-N 2 2 208.309 0.722 10 0 BCAELP COc1ncccc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077756 537896038 /nfs/dbraw/zinc/89/60/38/537896038.db2.gz ICDTZDMINXQTPY-VIFPVBQESA-N 2 2 205.261 0.404 10 0 BCAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000118237369 537924860 /nfs/dbraw/zinc/92/48/60/537924860.db2.gz WBYKRESBRFTKBV-NEPJUHHUSA-N 2 2 206.289 0.581 10 0 BCAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000118237369 537924869 /nfs/dbraw/zinc/92/48/69/537924869.db2.gz WBYKRESBRFTKBV-NEPJUHHUSA-N 2 2 206.289 0.581 10 0 BCAELP CCC[N@H+](CC)C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378599 537968013 /nfs/dbraw/zinc/96/80/13/537968013.db2.gz IRCIXNSEHVHWTL-VXGBXAGGSA-N 3 2 213.369 0.903 10 0 BCAELP CCC[N@@H+](CC)C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378599 537968021 /nfs/dbraw/zinc/96/80/21/537968021.db2.gz IRCIXNSEHVHWTL-VXGBXAGGSA-N 3 2 213.369 0.903 10 0 BCAELP OCC[N@@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000381859862 346655480 /nfs/dbraw/zinc/65/54/80/346655480.db2.gz VYTLMBQANNLSRQ-LBPRGKRZSA-N 2 2 244.404 0.928 10 0 BCAELP OCC[N@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000381859862 346655481 /nfs/dbraw/zinc/65/54/81/346655481.db2.gz VYTLMBQANNLSRQ-LBPRGKRZSA-N 2 2 244.404 0.928 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000307948919 346731490 /nfs/dbraw/zinc/73/14/90/346731490.db2.gz PMWMSTVVDGRBKJ-BDAKNGLRSA-N 2 2 240.269 0.984 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000307948919 346731492 /nfs/dbraw/zinc/73/14/92/346731492.db2.gz PMWMSTVVDGRBKJ-BDAKNGLRSA-N 2 2 240.269 0.984 10 0 BCAELP Cc1cc([NH3+])ccc1N[C@H]1C[NH2+]C[C@H]1O ZINC000206325088 346745110 /nfs/dbraw/zinc/74/51/10/346745110.db2.gz GZRYKLNSRFNOMH-WDEREUQCSA-N 2 2 207.277 0.322 10 0 BCAELP [NH3+]Cc1nc(C[NH+]2CCCCCC2)no1 ZINC000016944051 347216059 /nfs/dbraw/zinc/21/60/59/347216059.db2.gz RYYVPMKSJMRIQW-UHFFFAOYSA-N 2 2 210.281 0.904 10 0 BCAELP C[N@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCSC1 ZINC000250492853 362806244 /nfs/dbraw/zinc/80/62/44/362806244.db2.gz YLEZZEGXKCKGNP-VHSXEESVSA-N 2 2 216.350 0.412 10 0 BCAELP C[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCSC1 ZINC000250492853 362806250 /nfs/dbraw/zinc/80/62/50/362806250.db2.gz YLEZZEGXKCKGNP-VHSXEESVSA-N 2 2 216.350 0.412 10 0 BCAELP C[C@@H]1C[N@H+](C[C@H]2CC[NH+](C)C2)CCC1=O ZINC000251785695 362918247 /nfs/dbraw/zinc/91/82/47/362918247.db2.gz NECNCRLVFAYQFW-MNOVXSKESA-N 2 2 210.321 0.849 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@H]2CC[NH+](C)C2)CCC1=O ZINC000251785695 362918252 /nfs/dbraw/zinc/91/82/52/362918252.db2.gz NECNCRLVFAYQFW-MNOVXSKESA-N 2 2 210.321 0.849 10 0 BCAELP C[C@@H]1C[NH+](C[C@H]2CC[N@H+](C)C2)CCC1=O ZINC000251785695 362918256 /nfs/dbraw/zinc/91/82/56/362918256.db2.gz NECNCRLVFAYQFW-MNOVXSKESA-N 2 2 210.321 0.849 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](C1CC1)CCC2=O ZINC000725246612 538008321 /nfs/dbraw/zinc/00/83/21/538008321.db2.gz ZNZGFKHRWOZGIY-BXKDBHETSA-N 2 2 208.305 0.649 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C1CC1)CCC2=O ZINC000725246612 538008326 /nfs/dbraw/zinc/00/83/26/538008326.db2.gz ZNZGFKHRWOZGIY-BXKDBHETSA-N 2 2 208.305 0.649 10 0 BCAELP Cc1cc([NH3+])ccc1N[C@@H]1C[NH2+]C[C@H]1O ZINC000206325055 348632139 /nfs/dbraw/zinc/63/21/39/348632139.db2.gz GZRYKLNSRFNOMH-GHMZBOCLSA-N 2 2 207.277 0.322 10 0 BCAELP CCCC[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669383764 538011143 /nfs/dbraw/zinc/01/11/43/538011143.db2.gz YEQHCMKXUGFOIW-SECBINFHSA-N 2 2 222.279 0.736 10 0 BCAELP Cc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000252939522 349216381 /nfs/dbraw/zinc/21/63/81/349216381.db2.gz IECBLYJBQCJBAA-GFCCVEGCSA-N 3 2 220.320 0.469 10 0 BCAELP Cc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000252939522 349216384 /nfs/dbraw/zinc/21/63/84/349216384.db2.gz IECBLYJBQCJBAA-GFCCVEGCSA-N 3 2 220.320 0.469 10 0 BCAELP C[C@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000123411926 490233769 /nfs/dbraw/zinc/23/37/69/490233769.db2.gz FKFBGMRJAYWSAV-UWVGGRQHSA-N 2 2 216.350 0.412 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)CCS1 ZINC000123411926 490233773 /nfs/dbraw/zinc/23/37/73/490233773.db2.gz FKFBGMRJAYWSAV-UWVGGRQHSA-N 2 2 216.350 0.412 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000217933762 535095190 /nfs/dbraw/zinc/09/51/90/535095190.db2.gz XDRPQBPSRQQVKQ-LLVKDONJSA-N 2 2 248.392 0.480 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000217933762 535095195 /nfs/dbraw/zinc/09/51/95/535095195.db2.gz XDRPQBPSRQQVKQ-LLVKDONJSA-N 2 2 248.392 0.480 10 0 BCAELP Cc1[nH+]c[nH]c1C[NH2+][C@@H]1CCCCNC1=O ZINC000054795099 180121262 /nfs/dbraw/zinc/12/12/62/180121262.db2.gz VTMALWCMFKISPC-SECBINFHSA-N 2 2 222.292 0.476 10 0 BCAELP Cc1nccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000044994809 180186686 /nfs/dbraw/zinc/18/66/86/180186686.db2.gz OJZCKJRPULGOIT-BXKDBHETSA-N 2 2 220.320 0.954 10 0 BCAELP Cc1nccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000044994809 180186688 /nfs/dbraw/zinc/18/66/88/180186688.db2.gz OJZCKJRPULGOIT-BXKDBHETSA-N 2 2 220.320 0.954 10 0 BCAELP Cc1[nH+]ccn1CC[NH+]1CCC([NH3+])CC1 ZINC000049329235 180249415 /nfs/dbraw/zinc/24/94/15/180249415.db2.gz CRMKNBBCUGXMHG-UHFFFAOYSA-N 3 2 208.309 0.615 10 0 BCAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[NH2+]CC1 ZINC000049329233 180251359 /nfs/dbraw/zinc/25/13/59/180251359.db2.gz ZKQAKNPKVBKPIA-UHFFFAOYSA-N 3 2 208.309 0.487 10 0 BCAELP Cc1[nH+]ccn1CC[N@H+]1CCC[NH2+]CC1 ZINC000049329233 180251360 /nfs/dbraw/zinc/25/13/60/180251360.db2.gz ZKQAKNPKVBKPIA-UHFFFAOYSA-N 3 2 208.309 0.487 10 0 BCAELP CC(C)[N@H+](Cc1noc(C[NH3+])n1)C1CC1 ZINC000261557524 535121627 /nfs/dbraw/zinc/12/16/27/535121627.db2.gz XHNLLAXMKTUGLS-UHFFFAOYSA-N 2 2 210.281 0.901 10 0 BCAELP CC(C)[N@@H+](Cc1noc(C[NH3+])n1)C1CC1 ZINC000261557524 535121630 /nfs/dbraw/zinc/12/16/30/535121630.db2.gz XHNLLAXMKTUGLS-UHFFFAOYSA-N 2 2 210.281 0.901 10 0 BCAELP C[C@@H]1CSCC[N@@H+]1C[C@@]1([NH3+])CCOC1 ZINC000224814177 350341385 /nfs/dbraw/zinc/34/13/85/350341385.db2.gz CMOSJKYOCLHGDT-ZJUUUORDSA-N 2 2 216.350 0.542 10 0 BCAELP C[C@@H]1CSCC[N@H+]1C[C@@]1([NH3+])CCOC1 ZINC000224814177 350341395 /nfs/dbraw/zinc/34/13/95/350341395.db2.gz CMOSJKYOCLHGDT-ZJUUUORDSA-N 2 2 216.350 0.542 10 0 BCAELP CCOC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000328361947 350398715 /nfs/dbraw/zinc/39/87/15/350398715.db2.gz QAWRQWOWOPTGTE-QWRGUYRKSA-N 2 2 216.325 0.068 10 0 BCAELP CCOC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000328361947 350398720 /nfs/dbraw/zinc/39/87/20/350398720.db2.gz QAWRQWOWOPTGTE-QWRGUYRKSA-N 2 2 216.325 0.068 10 0 BCAELP COc1ccc[nH+]c1NC[C@H]1C[NH2+]CCO1 ZINC000159440101 350534234 /nfs/dbraw/zinc/53/42/34/350534234.db2.gz AUHQBSKNPFSRMF-SECBINFHSA-N 2 2 223.276 0.491 10 0 BCAELP [NH3+]CCN1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616596203 350631057 /nfs/dbraw/zinc/63/10/57/350631057.db2.gz ZYOIJPAHVLRYAI-JTQLQIEISA-N 2 2 210.281 0.063 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616600422 350780313 /nfs/dbraw/zinc/78/03/13/350780313.db2.gz FDDVNVVMJDSFAI-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cc[nH]n2)CC1 ZINC000616600422 350780314 /nfs/dbraw/zinc/78/03/14/350780314.db2.gz FDDVNVVMJDSFAI-SNVBAGLBSA-N 2 2 208.309 0.938 10 0 BCAELP NC(=O)c1ccccc1C1CC[NH+](CC[NH3+])CC1 ZINC000616609323 350805629 /nfs/dbraw/zinc/80/56/29/350805629.db2.gz QHDWEOYJEDOASY-UHFFFAOYSA-N 2 2 247.342 0.924 10 0 BCAELP Nc1cc(CC(=O)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000226330221 351007737 /nfs/dbraw/zinc/00/77/37/351007737.db2.gz DYMOIEVGXKPBTL-SECBINFHSA-N 2 2 205.261 0.385 10 0 BCAELP COC(=O)[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616631196 351104657 /nfs/dbraw/zinc/10/46/57/351104657.db2.gz YOYDNQOIFHCTOC-SECBINFHSA-N 2 2 200.282 0.220 10 0 BCAELP COC(=O)[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616631196 351104660 /nfs/dbraw/zinc/10/46/60/351104660.db2.gz YOYDNQOIFHCTOC-SECBINFHSA-N 2 2 200.282 0.220 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cn[nH]n2)CC1 ZINC000616628619 351098687 /nfs/dbraw/zinc/09/86/87/351098687.db2.gz NZTDIZBXZKXHDD-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](c2cn[nH]n2)CC1 ZINC000616628619 351098689 /nfs/dbraw/zinc/09/86/89/351098689.db2.gz NZTDIZBXZKXHDD-VIFPVBQESA-N 2 2 209.297 0.333 10 0 BCAELP Nc1ccccc1[C@H]1C[N@H+](CC[NH3+])CCCO1 ZINC000616653391 351187920 /nfs/dbraw/zinc/18/79/20/351187920.db2.gz NRXHNLAOXSVLTP-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@H]1C[N@@H+](CC[NH3+])CCCO1 ZINC000616653391 351187922 /nfs/dbraw/zinc/18/79/22/351187922.db2.gz NRXHNLAOXSVLTP-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000088098996 351597532 /nfs/dbraw/zinc/59/75/32/351597532.db2.gz KXIDQCNCIOZBLI-IJLUTSLNSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000088098996 351597536 /nfs/dbraw/zinc/59/75/36/351597536.db2.gz KXIDQCNCIOZBLI-IJLUTSLNSA-N 2 2 228.336 0.068 10 0 BCAELP Cc1cc[nH+]c(NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000043561526 352640661 /nfs/dbraw/zinc/64/06/61/352640661.db2.gz OXNLIZFEFWOTDE-UHFFFAOYSA-N 2 2 248.330 0.752 10 0 BCAELP CC1(C)C[N@H+](CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000304364896 188076558 /nfs/dbraw/zinc/07/65/58/188076558.db2.gz ZFKBZPDQPYIHAW-SNVBAGLBSA-N 2 2 248.392 0.480 10 0 BCAELP CC1(C)C[N@@H+](CCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000304364896 188076560 /nfs/dbraw/zinc/07/65/60/188076560.db2.gz ZFKBZPDQPYIHAW-SNVBAGLBSA-N 2 2 248.392 0.480 10 0 BCAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336756600 353156130 /nfs/dbraw/zinc/15/61/30/353156130.db2.gz ITJQIKOZOHALFL-NXEZZACHSA-N 2 2 213.325 0.324 10 0 BCAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336756600 353156132 /nfs/dbraw/zinc/15/61/32/353156132.db2.gz ITJQIKOZOHALFL-NXEZZACHSA-N 2 2 213.325 0.324 10 0 BCAELP C(CN1CCCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000049575021 188153513 /nfs/dbraw/zinc/15/35/13/188153513.db2.gz LQPMXAGQPXTBJW-UHFFFAOYSA-N 2 2 211.353 0.814 10 0 BCAELP CC[C@H](CC[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062248408 188184081 /nfs/dbraw/zinc/18/40/81/188184081.db2.gz JGUSEXBDJQXWBJ-SNVBAGLBSA-N 2 2 208.309 0.826 10 0 BCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389307160 355960354 /nfs/dbraw/zinc/96/03/54/355960354.db2.gz FNHPGQPCDPZZLN-RYUDHWBXSA-N 2 2 230.352 0.456 10 0 BCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COC(C)C)C1 ZINC000389307160 355960359 /nfs/dbraw/zinc/96/03/59/355960359.db2.gz FNHPGQPCDPZZLN-RYUDHWBXSA-N 2 2 230.352 0.456 10 0 BCAELP NC(=O)C[N@H+](C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] ZINC000042438621 181229034 /nfs/dbraw/zinc/22/90/34/181229034.db2.gz BISQCLCEARNDMO-QWRGUYRKSA-N 2 2 225.336 0.596 10 0 BCAELP NC(=O)C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] ZINC000042438621 181229036 /nfs/dbraw/zinc/22/90/36/181229036.db2.gz BISQCLCEARNDMO-QWRGUYRKSA-N 2 2 225.336 0.596 10 0 BCAELP NC(=O)C[N@H+](C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000042429083 181229763 /nfs/dbraw/zinc/22/97/63/181229763.db2.gz SKBXIFYYTOICAZ-LLVKDONJSA-N 2 2 225.336 0.468 10 0 BCAELP NC(=O)C[N@@H+](C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000042429083 181229765 /nfs/dbraw/zinc/22/97/65/181229765.db2.gz SKBXIFYYTOICAZ-LLVKDONJSA-N 2 2 225.336 0.468 10 0 BCAELP C[C@@H](C[NH3+])C[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000420216837 192192655 /nfs/dbraw/zinc/19/26/55/192192655.db2.gz NCKUUPLQLSDJQO-QMMMGPOBSA-N 2 2 204.277 0.992 10 0 BCAELP NC(=O)[C@@H]([NH3+])CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945213 181265343 /nfs/dbraw/zinc/26/53/43/181265343.db2.gz XJZDAEPPFFPWIY-ZDUSSCGKSA-N 2 2 247.342 0.638 10 0 BCAELP NC(=O)[C@@H]([NH3+])CC[N@H+]1CCCc2ccccc2C1 ZINC000062945213 181265346 /nfs/dbraw/zinc/26/53/46/181265346.db2.gz XJZDAEPPFFPWIY-ZDUSSCGKSA-N 2 2 247.342 0.638 10 0 BCAELP C[C@]([NH3+])(C(=O)c1c[nH+]ccc1N)C1CC1 ZINC000168557910 356417916 /nfs/dbraw/zinc/41/79/16/356417916.db2.gz XCKQQEMLVVHZTE-LLVKDONJSA-N 2 2 205.261 0.974 10 0 BCAELP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420378377 192233800 /nfs/dbraw/zinc/23/38/00/192233800.db2.gz QKOZWEIRPUFKBU-PWSUYJOCSA-N 3 2 222.336 0.861 10 0 BCAELP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420378377 192233801 /nfs/dbraw/zinc/23/38/01/192233801.db2.gz QKOZWEIRPUFKBU-PWSUYJOCSA-N 3 2 222.336 0.861 10 0 BCAELP Cc1[nH+]ccn1CCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420378377 192233803 /nfs/dbraw/zinc/23/38/03/192233803.db2.gz QKOZWEIRPUFKBU-PWSUYJOCSA-N 2 2 222.336 0.861 10 0 BCAELP Cn1cc[nH+]c1[C@@H]1[C@H](C[NH3+])CCC(=O)N1C1CC1 ZINC000675058754 538482499 /nfs/dbraw/zinc/48/24/99/538482499.db2.gz WNKAFLHNJLTKGO-CABZTGNLSA-N 2 2 248.330 0.821 10 0 BCAELP CCN1C(=O)CC[C@@H](C[NH3+])[C@H]1c1[nH+]ccn1C ZINC000675058773 538482563 /nfs/dbraw/zinc/48/25/63/538482563.db2.gz XGLBNUGUBPMKPB-ONGXEEELSA-N 2 2 236.319 0.678 10 0 BCAELP CC(C)[NH+](C(C)C)[C@H]1C[NH2+]CC[C@H]1O ZINC000675060830 538486709 /nfs/dbraw/zinc/48/67/09/538486709.db2.gz QELPDULJNUJFSN-WDEREUQCSA-N 2 2 200.326 0.828 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000389429941 356669825 /nfs/dbraw/zinc/66/98/25/356669825.db2.gz XVHSXFUQZBSLCS-CHWSQXEVSA-N 2 2 244.379 0.704 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000389429941 356669831 /nfs/dbraw/zinc/66/98/31/356669831.db2.gz XVHSXFUQZBSLCS-CHWSQXEVSA-N 2 2 244.379 0.704 10 0 BCAELP Cc1ccnc(N)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079314 538517369 /nfs/dbraw/zinc/51/73/69/538517369.db2.gz XOOWNZAZJWVSHE-VIFPVBQESA-N 2 2 204.277 0.286 10 0 BCAELP Cc1nn(C)cc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079296 538517707 /nfs/dbraw/zinc/51/77/07/538517707.db2.gz XLYZXGAYBDCOFJ-NSHDSACASA-N 2 2 206.293 0.128 10 0 BCAELP Cc1ccnc(N)c1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675079311 538518132 /nfs/dbraw/zinc/51/81/32/538518132.db2.gz XOOWNZAZJWVSHE-SECBINFHSA-N 2 2 204.277 0.286 10 0 BCAELP [NH3+][C@H]1C=C(c2c(F)cncc2F)C[NH2+]C1 ZINC000675077349 538512201 /nfs/dbraw/zinc/51/22/01/538512201.db2.gz CRTXGCYVAZNDAY-ZETCQYMHSA-N 2 2 211.215 0.674 10 0 BCAELP COc1nscc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077390 538512851 /nfs/dbraw/zinc/51/28/51/538512851.db2.gz DEINTFSVDWXCEI-ZETCQYMHSA-N 2 2 211.290 0.466 10 0 BCAELP COc1cccnc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077510 538512863 /nfs/dbraw/zinc/51/28/63/538512863.db2.gz FSYNNHWSGIBCCA-VIFPVBQESA-N 2 2 205.261 0.404 10 0 BCAELP C[C@H]([NH3+])C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000228267699 358372225 /nfs/dbraw/zinc/37/22/25/358372225.db2.gz CMSOSPXOCDXAHP-YUMQZZPRSA-N 2 2 234.307 0.901 10 0 BCAELP C[C@@H]([NH3+])C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000228267691 358372460 /nfs/dbraw/zinc/37/24/60/358372460.db2.gz CMSOSPXOCDXAHP-SFYZADRCSA-N 2 2 234.307 0.901 10 0 BCAELP OCC[NH+]1CCC([NH2+]CC2(F)CC2)CC1 ZINC000308915506 491140134 /nfs/dbraw/zinc/14/01/34/491140134.db2.gz HDTWBNYNNGUTSO-UHFFFAOYSA-N 2 2 216.300 0.535 10 0 BCAELP COc1ccc([C@H](O)C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000169676066 360856982 /nfs/dbraw/zinc/85/69/82/360856982.db2.gz ACYWPAFIBGIGSI-DGCLKSJQSA-N 2 2 236.315 0.762 10 0 BCAELP COc1ccc([C@H](O)C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000169676066 360856983 /nfs/dbraw/zinc/85/69/83/360856983.db2.gz ACYWPAFIBGIGSI-DGCLKSJQSA-N 2 2 236.315 0.762 10 0 BCAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000310080547 491160007 /nfs/dbraw/zinc/16/00/07/491160007.db2.gz CQIKXWXBHFIHMC-LBPRGKRZSA-N 2 2 244.379 0.969 10 0 BCAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000310080547 491160008 /nfs/dbraw/zinc/16/00/08/491160008.db2.gz CQIKXWXBHFIHMC-LBPRGKRZSA-N 2 2 244.379 0.969 10 0 BCAELP CCOCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630356053 364078076 /nfs/dbraw/zinc/07/80/76/364078076.db2.gz NFYHJFRSBNUYSA-QWRGUYRKSA-N 2 2 216.325 0.461 10 0 BCAELP CCOCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630356053 364078079 /nfs/dbraw/zinc/07/80/79/364078079.db2.gz NFYHJFRSBNUYSA-QWRGUYRKSA-N 2 2 216.325 0.461 10 0 BCAELP CO[C@H]1C[N@H+](CCn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000630362270 364081819 /nfs/dbraw/zinc/08/18/19/364081819.db2.gz KXJKWMPKFCHCOC-VXGBXAGGSA-N 2 2 238.335 0.321 10 0 BCAELP CO[C@H]1C[N@@H+](CCn2cccn2)[C@@](C)(C[NH3+])C1 ZINC000630362270 364081821 /nfs/dbraw/zinc/08/18/21/364081821.db2.gz KXJKWMPKFCHCOC-VXGBXAGGSA-N 2 2 238.335 0.321 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630370321 364087039 /nfs/dbraw/zinc/08/70/39/364087039.db2.gz YZBZNRBQBINOSO-RWMBFGLXSA-N 2 2 242.363 0.994 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630370321 364087042 /nfs/dbraw/zinc/08/70/42/364087042.db2.gz YZBZNRBQBINOSO-RWMBFGLXSA-N 2 2 242.363 0.994 10 0 BCAELP Cc1c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cnn1C ZINC000398956000 364278605 /nfs/dbraw/zinc/27/86/05/364278605.db2.gz IEWIYHHZEUEJKX-SKDRFNHKSA-N 2 2 222.336 0.959 10 0 BCAELP [NH3+]CC1CC[NH+](CC(=O)c2cnccn2)CC1 ZINC000095072686 181365545 /nfs/dbraw/zinc/36/55/45/181365545.db2.gz ASQJLZXMQBRNGX-UHFFFAOYSA-N 2 2 234.303 0.330 10 0 BCAELP [NH3+]CCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000037802826 181366229 /nfs/dbraw/zinc/36/62/29/181366229.db2.gz ZHTUDXUAHUIBHL-UHFFFAOYSA-N 2 2 237.303 0.273 10 0 BCAELP C[N@@H+]1CCN(c2ncnc3[nH]ccc32)[C@@H](C[NH3+])C1 ZINC000575734970 365347228 /nfs/dbraw/zinc/34/72/28/365347228.db2.gz BGVDPEUCYVUDQG-VIFPVBQESA-N 2 2 246.318 0.037 10 0 BCAELP C[N@H+]1CCN(c2ncnc3[nH]ccc32)[C@@H](C[NH3+])C1 ZINC000575734970 365347232 /nfs/dbraw/zinc/34/72/32/365347232.db2.gz BGVDPEUCYVUDQG-VIFPVBQESA-N 2 2 246.318 0.037 10 0 BCAELP C[N@@H+]1CCN(c2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000087613848 367915743 /nfs/dbraw/zinc/91/57/43/367915743.db2.gz JIIVSNMPSLWCTE-SNVBAGLBSA-N 2 2 224.283 0.300 10 0 BCAELP C[N@H+]1CCN(c2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000087613848 367915746 /nfs/dbraw/zinc/91/57/46/367915746.db2.gz JIIVSNMPSLWCTE-SNVBAGLBSA-N 2 2 224.283 0.300 10 0 BCAELP CCc1csc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000087613837 367916248 /nfs/dbraw/zinc/91/62/48/367916248.db2.gz HANVYKUFIVCMHW-JTQLQIEISA-N 2 2 240.376 0.785 10 0 BCAELP CCc1csc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000087613837 367916255 /nfs/dbraw/zinc/91/62/55/367916255.db2.gz HANVYKUFIVCMHW-JTQLQIEISA-N 2 2 240.376 0.785 10 0 BCAELP C[C@H](C[N@@H+]1CC[NH2+]C[C@@H](C)C1)[S@](C)=O ZINC000252934711 368168337 /nfs/dbraw/zinc/16/83/37/368168337.db2.gz DWRMGNVRGNATGG-RULNRJAQSA-N 2 2 218.366 0.295 10 0 BCAELP C[C@H](C[N@H+]1CC[NH2+]C[C@@H](C)C1)[S@](C)=O ZINC000252934711 368168344 /nfs/dbraw/zinc/16/83/44/368168344.db2.gz DWRMGNVRGNATGG-RULNRJAQSA-N 2 2 218.366 0.295 10 0 BCAELP CC(C)n1ncnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836689 369088741 /nfs/dbraw/zinc/08/87/41/369088741.db2.gz FAQGLYJYHLTUAA-QWRGUYRKSA-N 2 2 237.351 0.886 10 0 BCAELP CC(C)n1ncnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836689 369088748 /nfs/dbraw/zinc/08/87/48/369088748.db2.gz FAQGLYJYHLTUAA-QWRGUYRKSA-N 2 2 237.351 0.886 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1C ZINC000631837375 369094121 /nfs/dbraw/zinc/09/41/21/369094121.db2.gz AWKQDJPWOLVZCL-ZJUUUORDSA-N 2 2 237.351 0.404 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1C ZINC000631837375 369094123 /nfs/dbraw/zinc/09/41/23/369094123.db2.gz AWKQDJPWOLVZCL-ZJUUUORDSA-N 2 2 237.351 0.404 10 0 BCAELP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nn1C ZINC000631837398 369098599 /nfs/dbraw/zinc/09/85/99/369098599.db2.gz SASAHORIOYASRZ-KOLCDFICSA-N 2 2 222.336 0.755 10 0 BCAELP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)nn1C ZINC000631837398 369098602 /nfs/dbraw/zinc/09/86/02/369098602.db2.gz SASAHORIOYASRZ-KOLCDFICSA-N 2 2 222.336 0.755 10 0 BCAELP C[NH+]1CCN(C(=[NH2+])NCc2ccccc2)CC1 ZINC000307323287 372111430 /nfs/dbraw/zinc/11/14/30/372111430.db2.gz DBHFQXIBYCGPJV-UHFFFAOYSA-N 2 2 232.331 0.958 10 0 BCAELP C[C@H](C[N@@H+]1CC[NH2+]C[C@@H](C)C1)[S@@](C)=O ZINC000228655230 372064378 /nfs/dbraw/zinc/06/43/78/372064378.db2.gz DWRMGNVRGNATGG-GPCCPHFNSA-N 2 2 218.366 0.295 10 0 BCAELP C[C@H](C[N@H+]1CC[NH2+]C[C@@H](C)C1)[S@@](C)=O ZINC000228655230 372064381 /nfs/dbraw/zinc/06/43/81/372064381.db2.gz DWRMGNVRGNATGG-GPCCPHFNSA-N 2 2 218.366 0.295 10 0 BCAELP CC(C)n1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836688 372625306 /nfs/dbraw/zinc/62/53/06/372625306.db2.gz FAQGLYJYHLTUAA-MNOVXSKESA-N 2 2 237.351 0.886 10 0 BCAELP CC(C)n1ncnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836688 372625312 /nfs/dbraw/zinc/62/53/12/372625312.db2.gz FAQGLYJYHLTUAA-MNOVXSKESA-N 2 2 237.351 0.886 10 0 BCAELP C[C@@H]1C[N@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000631841753 372638595 /nfs/dbraw/zinc/63/85/95/372638595.db2.gz PGHZMSXDDCVPMR-BDAKNGLRSA-N 2 2 236.323 0.035 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000631841753 372638602 /nfs/dbraw/zinc/63/86/02/372638602.db2.gz PGHZMSXDDCVPMR-BDAKNGLRSA-N 2 2 236.323 0.035 10 0 BCAELP CCc1noc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841843 372638702 /nfs/dbraw/zinc/63/87/02/372638702.db2.gz QRCJNDVIRHAVSK-BDAKNGLRSA-N 2 2 224.308 0.659 10 0 BCAELP CCc1noc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841843 372638708 /nfs/dbraw/zinc/63/87/08/372638708.db2.gz QRCJNDVIRHAVSK-BDAKNGLRSA-N 2 2 224.308 0.659 10 0 BCAELP CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301644 170086076 /nfs/dbraw/zinc/08/60/76/170086076.db2.gz JSVKQVVEOHZMRY-SECBINFHSA-N 2 2 213.325 0.195 10 0 BCAELP CCOC1(OCC)CC[NH+](CC[NH3+])CC1 ZINC000039100252 170320402 /nfs/dbraw/zinc/32/04/02/170320402.db2.gz HAPSTDZEYQEMQC-UHFFFAOYSA-N 2 2 216.325 0.810 10 0 BCAELP O=S1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953570 182917287 /nfs/dbraw/zinc/91/72/87/182917287.db2.gz VDVLPEVRCJRNIC-GFCCVEGCSA-N 2 2 244.404 0.973 10 0 BCAELP O[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541377 183190875 /nfs/dbraw/zinc/19/08/75/183190875.db2.gz LKAAGLVUEUOHIM-GHMZBOCLSA-N 2 2 209.293 0.776 10 0 BCAELP CCC[N@H+](CC[C@@H]1CCCC[NH2+]1)CC(=O)NC ZINC000042405122 169171247 /nfs/dbraw/zinc/17/12/47/169171247.db2.gz WFILGXCYSIDOAT-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC(=O)NC ZINC000042405122 169171249 /nfs/dbraw/zinc/17/12/49/169171249.db2.gz WFILGXCYSIDOAT-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CCC[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000104417199 169262393 /nfs/dbraw/zinc/26/23/93/169262393.db2.gz LXPMXHPPJSTQGH-LBPRGKRZSA-N 2 2 241.379 0.786 10 0 BCAELP CCC[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000104417199 169262394 /nfs/dbraw/zinc/26/23/94/169262394.db2.gz LXPMXHPPJSTQGH-LBPRGKRZSA-N 2 2 241.379 0.786 10 0 BCAELP CCCO[C@@H]1CCC[N@@H+]([C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000042421914 169311617 /nfs/dbraw/zinc/31/16/17/169311617.db2.gz HYZKLDJNBHAFCZ-FRRDWIJNSA-N 2 2 242.363 0.994 10 0 BCAELP CCCO[C@@H]1CCC[N@H+]([C@@H]2COCC[C@@H]2[NH3+])C1 ZINC000042421914 169311619 /nfs/dbraw/zinc/31/16/19/169311619.db2.gz HYZKLDJNBHAFCZ-FRRDWIJNSA-N 2 2 242.363 0.994 10 0 BCAELP C[NH+](C)C[C@H]1CCN(Cc2[nH]cc[nH+]2)C1 ZINC000114479462 384038407 /nfs/dbraw/zinc/03/84/07/384038407.db2.gz VWNNGFAUIBLJSQ-SNVBAGLBSA-N 2 2 208.309 0.793 10 0 BCAELP [NH3+][C@H]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000085013765 384261900 /nfs/dbraw/zinc/26/19/00/384261900.db2.gz WKWLVLBZZRFSPS-SFYZADRCSA-N 2 2 208.265 0.153 10 0 BCAELP O=C(C[NH2+]C[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000095072805 384345649 /nfs/dbraw/zinc/34/56/49/384345649.db2.gz BNFFGNAARZGKOZ-SECBINFHSA-N 2 2 208.261 0.661 10 0 BCAELP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072720 384345908 /nfs/dbraw/zinc/34/59/08/384345908.db2.gz FMJAZYULBKPQBL-MRVPVSSYSA-N 2 2 226.711 0.911 10 0 BCAELP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072720 384345914 /nfs/dbraw/zinc/34/59/14/384345914.db2.gz FMJAZYULBKPQBL-MRVPVSSYSA-N 2 2 226.711 0.911 10 0 BCAELP CN(C)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168803899 384326904 /nfs/dbraw/zinc/32/69/04/384326904.db2.gz BEAYPSOBSHPLLV-JTQLQIEISA-N 2 2 213.325 0.149 10 0 BCAELP CN(C)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168803899 384326910 /nfs/dbraw/zinc/32/69/10/384326910.db2.gz BEAYPSOBSHPLLV-JTQLQIEISA-N 2 2 213.325 0.149 10 0 BCAELP Cc1cn[nH]c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647512639 384411607 /nfs/dbraw/zinc/41/16/07/384411607.db2.gz NYHGOZNMGGKHKD-DCAQKATOSA-N 2 2 220.320 0.887 10 0 BCAELP Cc1cn[nH]c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647512639 384411610 /nfs/dbraw/zinc/41/16/10/384411610.db2.gz NYHGOZNMGGKHKD-DCAQKATOSA-N 2 2 220.320 0.887 10 0 BCAELP Cn1cc[nH+]c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000082462904 384425458 /nfs/dbraw/zinc/42/54/58/384425458.db2.gz IWAMCMQURODEEW-LLVKDONJSA-N 2 2 220.320 0.700 10 0 BCAELP Cn1cc[nH+]c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000082462904 384425460 /nfs/dbraw/zinc/42/54/60/384425460.db2.gz IWAMCMQURODEEW-LLVKDONJSA-N 2 2 220.320 0.700 10 0 BCAELP Cc1cnn(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000309798185 384613392 /nfs/dbraw/zinc/61/33/92/384613392.db2.gz QQDPWWQFPLJFKF-RYUDHWBXSA-N 2 2 222.336 0.731 10 0 BCAELP Cc1cnn(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000309798185 384613394 /nfs/dbraw/zinc/61/33/94/384613394.db2.gz QQDPWWQFPLJFKF-RYUDHWBXSA-N 2 2 222.336 0.731 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000309817388 384637339 /nfs/dbraw/zinc/63/73/39/384637339.db2.gz VNRRZQMKWIWNPD-UWVGGRQHSA-N 2 2 222.292 0.140 10 0 BCAELP C[NH+](C)Cc1nnc([C@H]2CCCC[NH2+]2)o1 ZINC000083346304 384761784 /nfs/dbraw/zinc/76/17/84/384761784.db2.gz ZUFPGMHAVBBURQ-MRVPVSSYSA-N 2 2 210.281 0.946 10 0 BCAELP CCOC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327227 384764524 /nfs/dbraw/zinc/76/45/24/384764524.db2.gz SWBDJQIPGPQVCB-BDAKNGLRSA-N 2 2 200.282 0.076 10 0 BCAELP CCOC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327227 384764530 /nfs/dbraw/zinc/76/45/30/384764530.db2.gz SWBDJQIPGPQVCB-BDAKNGLRSA-N 2 2 200.282 0.076 10 0 BCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000282522619 384919718 /nfs/dbraw/zinc/91/97/18/384919718.db2.gz YIQYPDKJLIPZJB-QWRGUYRKSA-N 2 2 236.319 0.530 10 0 BCAELP c1cn(CC[NH2+]C[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000087646819 384982982 /nfs/dbraw/zinc/98/29/82/384982982.db2.gz ZHQULPPKEYJWAO-LLVKDONJSA-N 3 2 208.309 0.472 10 0 BCAELP [NH3+][C@H]1CCC[C@@H](C(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000157257470 385115649 /nfs/dbraw/zinc/11/56/49/385115649.db2.gz IPJMPPZDAIRLNT-ZJUUUORDSA-N 2 2 236.319 0.586 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC[N@@H+]1C ZINC000643256261 386000514 /nfs/dbraw/zinc/00/05/14/386000514.db2.gz MSSKXIMZNZFRQL-JTQLQIEISA-N 2 2 208.309 0.936 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C[C@@H]1CCC[N@H+]1C ZINC000643256261 386000517 /nfs/dbraw/zinc/00/05/17/386000517.db2.gz MSSKXIMZNZFRQL-JTQLQIEISA-N 2 2 208.309 0.936 10 0 BCAELP O=C(C[NH2+]CC1CC1)N1CCn2cc[nH+]c2C1 ZINC000062254717 386506088 /nfs/dbraw/zinc/50/60/88/386506088.db2.gz YBAQPHMGXMEHMG-UHFFFAOYSA-N 2 2 234.303 0.225 10 0 BCAELP CC(C)(C[NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062252341 386506970 /nfs/dbraw/zinc/50/69/70/386506970.db2.gz YXHVDKFHUVZCNJ-UHFFFAOYSA-N 2 2 222.292 0.210 10 0 BCAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH3+] ZINC000238855477 386536392 /nfs/dbraw/zinc/53/63/92/386536392.db2.gz SADIJZYBXRUBQD-DTWKUNHWSA-N 2 2 212.272 0.291 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCOC1)C2 ZINC000336760521 386734321 /nfs/dbraw/zinc/73/43/21/386734321.db2.gz MFIMBEAIKUMTCA-DTWKUNHWSA-N 2 2 207.277 0.646 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000336760521 386734326 /nfs/dbraw/zinc/73/43/26/386734326.db2.gz MFIMBEAIKUMTCA-DTWKUNHWSA-N 2 2 207.277 0.646 10 0 BCAELP [NH3+]C[C@@H]([NH3+])c1cccc2c1OC(F)(F)O2 ZINC000044470332 386779804 /nfs/dbraw/zinc/77/98/04/386779804.db2.gz PYGJRCCYNQXECJ-ZCFIWIBFSA-N 2 2 216.187 0.967 10 0 BCAELP C[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCCC[NH2+]1 ZINC000127532190 387107775 /nfs/dbraw/zinc/10/77/75/387107775.db2.gz AUHJASQLOMGWKO-LLVKDONJSA-N 2 2 222.292 0.558 10 0 BCAELP C[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCCC[NH2+]1 ZINC000127532190 387107779 /nfs/dbraw/zinc/10/77/79/387107779.db2.gz AUHJASQLOMGWKO-LLVKDONJSA-N 2 2 222.292 0.558 10 0 BCAELP CC(C)[NH+](C(C)C)[C@H]1C[NH2+]CC[C@@H]1O ZINC000536955259 387167478 /nfs/dbraw/zinc/16/74/78/387167478.db2.gz QELPDULJNUJFSN-QWRGUYRKSA-N 2 2 200.326 0.828 10 0 BCAELP C[C@@H]1CS[C@](C)([C@@H]2C[NH2+]CCO2)[NH2+]1 ZINC000575517893 387434713 /nfs/dbraw/zinc/43/47/13/387434713.db2.gz NXEIBGMJBPATLK-HRDYMLBCSA-N 2 2 202.323 0.416 10 0 BCAELP COC(=O)CCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234516286 134579461 /nfs/dbraw/zinc/57/94/61/134579461.db2.gz HWMHSIKBXHHSDJ-BDAKNGLRSA-N 2 2 200.282 0.219 10 0 BCAELP COC(=O)CCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234516286 134579462 /nfs/dbraw/zinc/57/94/62/134579462.db2.gz HWMHSIKBXHHSDJ-BDAKNGLRSA-N 2 2 200.282 0.219 10 0 BCAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(N)=O)C2)[nH+]1 ZINC000195516142 387922128 /nfs/dbraw/zinc/92/21/28/387922128.db2.gz SLCDKFYCAUIHIU-LLVKDONJSA-N 2 2 248.330 0.609 10 0 BCAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(N)=O)C2)[nH+]1 ZINC000195516142 387922133 /nfs/dbraw/zinc/92/21/33/387922133.db2.gz SLCDKFYCAUIHIU-LLVKDONJSA-N 2 2 248.330 0.609 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOCC(F)F ZINC000261537646 135175121 /nfs/dbraw/zinc/17/51/21/135175121.db2.gz VYWMQKLSHQZYHR-QMMMGPOBSA-N 2 2 208.252 0.691 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOCC(F)F ZINC000261537646 135175122 /nfs/dbraw/zinc/17/51/22/135175122.db2.gz VYWMQKLSHQZYHR-QMMMGPOBSA-N 2 2 208.252 0.691 10 0 BCAELP COC(=O)C1=C(O)CC[N@H+](CCC[NH+](C)C)C1 ZINC000041286722 388434431 /nfs/dbraw/zinc/43/44/31/388434431.db2.gz VRPCRECXXADOIY-JTQLQIEISA-N 2 2 242.319 0.002 10 0 BCAELP COC(=O)C1=C(O)CC[N@@H+](CCC[NH+](C)C)C1 ZINC000041286722 388434433 /nfs/dbraw/zinc/43/44/33/388434433.db2.gz VRPCRECXXADOIY-JTQLQIEISA-N 2 2 242.319 0.002 10 0 BCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1C ZINC000565540267 388952214 /nfs/dbraw/zinc/95/22/14/388952214.db2.gz OBIXCKZOHKUVRS-HBNTYKKESA-N 2 2 249.362 0.547 10 0 BCAELP CCc1nnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1C ZINC000565540267 388952218 /nfs/dbraw/zinc/95/22/18/388952218.db2.gz OBIXCKZOHKUVRS-HBNTYKKESA-N 2 2 249.362 0.547 10 0 BCAELP C[C@H]1COCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396852 132360490 /nfs/dbraw/zinc/36/04/90/132360490.db2.gz GTXHDVHCASQBQR-VIFPVBQESA-N 2 2 207.277 0.765 10 0 BCAELP Cc1cc(C)c(C[NH3+])c(N2CCNC(=O)C2)[nH+]1 ZINC000040509303 132296045 /nfs/dbraw/zinc/29/60/45/132296045.db2.gz XNMWVTRAQFWXCV-UHFFFAOYSA-N 2 2 234.303 0.093 10 0 BCAELP C[C@@H]([NH3+])CC[NH+]1CCN(c2ncccn2)CC1 ZINC000037401925 132344129 /nfs/dbraw/zinc/34/41/29/132344129.db2.gz LSIGVYYZYHPKQS-LLVKDONJSA-N 2 2 235.335 0.336 10 0 BCAELP Cc1cc(C)c(C[NH3+])c(N2CCOCC2)[nH+]1 ZINC000040509278 132348156 /nfs/dbraw/zinc/34/81/56/132348156.db2.gz VXJWFRSUUGGHDO-UHFFFAOYSA-N 2 2 221.304 0.994 10 0 BCAELP C[C@@H](CC(N)=[NH2+])[NH+]1CCN(c2ncccn2)CC1 ZINC000048249772 132355279 /nfs/dbraw/zinc/35/52/79/132355279.db2.gz XNSAGBJOJDQVRD-JTQLQIEISA-N 2 2 248.334 0.313 10 0 BCAELP Cc1nc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc[nH+]1 ZINC000054935543 132365057 /nfs/dbraw/zinc/36/50/57/132365057.db2.gz RNTCQHJSCRLDTK-IUCAKERBSA-N 2 2 206.293 0.972 10 0 BCAELP CNC(=O)C1CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000061811577 132387167 /nfs/dbraw/zinc/38/71/67/132387167.db2.gz COQODQLIWRLXFR-UHFFFAOYSA-N 2 2 248.330 0.503 10 0 BCAELP CCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168806346 134246891 /nfs/dbraw/zinc/24/68/91/134246891.db2.gz CZWJOTLUPVOIOL-JTQLQIEISA-N 2 2 213.325 0.196 10 0 BCAELP CCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000168806346 134246892 /nfs/dbraw/zinc/24/68/92/134246892.db2.gz CZWJOTLUPVOIOL-JTQLQIEISA-N 2 2 213.325 0.196 10 0 BCAELP CC(C)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168808885 134247078 /nfs/dbraw/zinc/24/70/78/134247078.db2.gz RSPWMRLVUNSRJP-LLVKDONJSA-N 2 2 227.352 0.585 10 0 BCAELP CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168808885 134247079 /nfs/dbraw/zinc/24/70/79/134247079.db2.gz RSPWMRLVUNSRJP-LLVKDONJSA-N 2 2 227.352 0.585 10 0 BCAELP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000223823016 134343285 /nfs/dbraw/zinc/34/32/85/134343285.db2.gz HGVTUKHHZKGYHX-OUAUKWLOSA-N 2 2 248.392 0.492 10 0 BCAELP Cc1cnn(CC2CC[NH+](CC[NH3+])CC2)c1 ZINC000263024300 135124294 /nfs/dbraw/zinc/12/42/94/135124294.db2.gz RELZLMMEVQATQM-UHFFFAOYSA-N 2 2 222.336 0.862 10 0 BCAELP Cc1cc[nH+]c(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000257695518 135140236 /nfs/dbraw/zinc/14/02/36/135140236.db2.gz KBQHWUFAOKBUCN-CYBMUJFWSA-N 2 2 246.358 0.874 10 0 BCAELP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772250 135141352 /nfs/dbraw/zinc/14/13/52/135141352.db2.gz DHENZZMZMSLJCS-WDEREUQCSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC(=O)N1C ZINC000257772250 135141354 /nfs/dbraw/zinc/14/13/54/135141354.db2.gz DHENZZMZMSLJCS-WDEREUQCSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000261544099 135185655 /nfs/dbraw/zinc/18/56/55/135185655.db2.gz WQPJNAYVUIDYOD-JOYOIKCWSA-N 2 2 233.315 0.565 10 0 BCAELP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000261544099 135185656 /nfs/dbraw/zinc/18/56/56/135185656.db2.gz WQPJNAYVUIDYOD-JOYOIKCWSA-N 2 2 233.315 0.565 10 0 BCAELP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549013 135187565 /nfs/dbraw/zinc/18/75/65/135187565.db2.gz KCWUAZKQLNJFHR-ONGXEEELSA-N 2 2 239.363 0.713 10 0 BCAELP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549013 135187567 /nfs/dbraw/zinc/18/75/67/135187567.db2.gz KCWUAZKQLNJFHR-ONGXEEELSA-N 2 2 239.363 0.713 10 0 BCAELP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549012 135187570 /nfs/dbraw/zinc/18/75/70/135187570.db2.gz KCWUAZKQLNJFHR-MWLCHTKSSA-N 2 2 239.363 0.713 10 0 BCAELP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261549012 135187572 /nfs/dbraw/zinc/18/75/72/135187572.db2.gz KCWUAZKQLNJFHR-MWLCHTKSSA-N 2 2 239.363 0.713 10 0 BCAELP CCC1(C[NH2+]C[C@H]2C[NH2+]CCO2)CCOCC1 ZINC000261553312 135192689 /nfs/dbraw/zinc/19/26/89/135192689.db2.gz NVGKBKJGXLTKJL-GFCCVEGCSA-N 2 2 242.363 0.771 10 0 BCAELP CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000261556183 135196433 /nfs/dbraw/zinc/19/64/33/135196433.db2.gz QMWVJOPVSYFGAH-QWRGUYRKSA-N 2 2 237.347 0.149 10 0 BCAELP CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000261556183 135196435 /nfs/dbraw/zinc/19/64/35/135196435.db2.gz QMWVJOPVSYFGAH-QWRGUYRKSA-N 2 2 237.347 0.149 10 0 BCAELP Cc1csc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000261557331 135197484 /nfs/dbraw/zinc/19/74/84/135197484.db2.gz XFBBZGCSOKDYRA-IUCAKERBSA-N 2 2 227.333 0.121 10 0 BCAELP CC(C)CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261560756 135202320 /nfs/dbraw/zinc/20/23/20/135202320.db2.gz UUUGAFZTGKZAJM-NEPJUHHUSA-N 2 2 239.363 0.300 10 0 BCAELP CC(C)CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261560756 135202322 /nfs/dbraw/zinc/20/23/22/135202322.db2.gz UUUGAFZTGKZAJM-NEPJUHHUSA-N 2 2 239.363 0.300 10 0 BCAELP Cc1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc[nH+]1 ZINC000261564176 135205918 /nfs/dbraw/zinc/20/59/18/135205918.db2.gz CIWINPDUORGCJQ-MNOVXSKESA-N 2 2 218.304 0.973 10 0 BCAELP CC(C)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261588868 135229109 /nfs/dbraw/zinc/22/91/09/135229109.db2.gz SRUYEKIYTXCDMO-JTQLQIEISA-N 2 2 227.352 0.570 10 0 BCAELP CC(C)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261588868 135229111 /nfs/dbraw/zinc/22/91/11/135229111.db2.gz SRUYEKIYTXCDMO-JTQLQIEISA-N 2 2 227.352 0.570 10 0 BCAELP Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc[nH+]1 ZINC000261591979 135232980 /nfs/dbraw/zinc/23/29/80/135232980.db2.gz VPRIEWJEJYXFAQ-QWRGUYRKSA-N 2 2 218.304 0.973 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261594502 135235444 /nfs/dbraw/zinc/23/54/44/135235444.db2.gz XPWXRLBVJUZIBD-PWSUYJOCSA-N 2 2 222.336 0.958 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261594502 135235445 /nfs/dbraw/zinc/23/54/45/135235445.db2.gz XPWXRLBVJUZIBD-PWSUYJOCSA-N 2 2 222.336 0.958 10 0 BCAELP C[C@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1[NH3+] ZINC000261690799 135246141 /nfs/dbraw/zinc/24/61/41/135246141.db2.gz AXRUBIWZVJBMMK-GXSJLCMTSA-N 2 2 245.330 0.747 10 0 BCAELP C[C@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1[NH3+] ZINC000261690799 135246142 /nfs/dbraw/zinc/24/61/42/135246142.db2.gz AXRUBIWZVJBMMK-GXSJLCMTSA-N 2 2 245.330 0.747 10 0 BCAELP Cn1nncc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261837705 135256182 /nfs/dbraw/zinc/25/61/82/135256182.db2.gz ZLYRVHDIBAYWDL-JTQLQIEISA-N 2 2 223.324 0.374 10 0 BCAELP Cn1nncc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261837705 135256184 /nfs/dbraw/zinc/25/61/84/135256184.db2.gz ZLYRVHDIBAYWDL-JTQLQIEISA-N 2 2 223.324 0.374 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261973062 135268076 /nfs/dbraw/zinc/26/80/76/135268076.db2.gz DVPXIPGVGMBWSJ-ONGXEEELSA-N 2 2 237.351 0.776 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000261973062 135268077 /nfs/dbraw/zinc/26/80/77/135268077.db2.gz DVPXIPGVGMBWSJ-ONGXEEELSA-N 2 2 237.351 0.776 10 0 BCAELP C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262162664 135282688 /nfs/dbraw/zinc/28/26/88/135282688.db2.gz VKBUGEMGZUMGNJ-GARJFASQSA-N 2 2 236.319 0.640 10 0 BCAELP COC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000262367741 135297580 /nfs/dbraw/zinc/29/75/80/135297580.db2.gz LHHJOKHGWHQGOO-VIFPVBQESA-N 2 2 238.291 0.060 10 0 BCAELP COC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000262470521 135301113 /nfs/dbraw/zinc/30/11/13/135301113.db2.gz YGKGXVHSYFUNCA-ZETCQYMHSA-N 2 2 225.248 0.002 10 0 BCAELP O=C(CC[C@H]1CCC[NH2+]1)NCc1c[nH+]c[nH]1 ZINC000390606926 397897122 /nfs/dbraw/zinc/89/71/22/397897122.db2.gz CYALOTTYPWZWNJ-SECBINFHSA-N 2 2 222.292 0.558 10 0 BCAELP O=C(CC[C@H]1CCC[NH2+]1)NCc1c[nH]c[nH+]1 ZINC000390606926 397897125 /nfs/dbraw/zinc/89/71/25/397897125.db2.gz CYALOTTYPWZWNJ-SECBINFHSA-N 2 2 222.292 0.558 10 0 BCAELP CCc1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000383693717 398033651 /nfs/dbraw/zinc/03/36/51/398033651.db2.gz QYJKMVKFAZHNQM-IVZWLZJFSA-N 2 2 236.319 0.801 10 0 BCAELP CCc1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000383693717 398033659 /nfs/dbraw/zinc/03/36/59/398033659.db2.gz QYJKMVKFAZHNQM-IVZWLZJFSA-N 2 2 236.319 0.801 10 0 BCAELP C[C@@H](C[NH3+])N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000258766257 322877070 /nfs/dbraw/zinc/87/70/70/322877070.db2.gz QAKQBMJLFHWTCT-QMMMGPOBSA-N 2 2 221.308 0.834 10 0 BCAELP Cc1cn[nH]c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000685615271 487564476 /nfs/dbraw/zinc/56/44/76/487564476.db2.gz BWBZVVLHGKLMOW-UHFFFAOYSA-N 2 2 238.335 0.264 10 0 BCAELP C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)C[C@@H]1[NH3+] ZINC000662277968 409593885 /nfs/dbraw/zinc/59/38/85/409593885.db2.gz UDPDQXKWMFDWFT-VGMNWLOBSA-N 2 2 220.263 0.690 10 0 BCAELP C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)C[C@@H]1[NH3+] ZINC000662277968 409593897 /nfs/dbraw/zinc/59/38/97/409593897.db2.gz UDPDQXKWMFDWFT-VGMNWLOBSA-N 2 2 220.263 0.690 10 0 BCAELP CC(C)[C@@H](CO)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000395312731 410844466 /nfs/dbraw/zinc/84/44/66/410844466.db2.gz HNROTGCTNGBDQH-GHMZBOCLSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)[C@@H](CO)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000395312731 410844470 /nfs/dbraw/zinc/84/44/70/410844470.db2.gz HNROTGCTNGBDQH-GHMZBOCLSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000062250144 167110454 /nfs/dbraw/zinc/11/04/54/167110454.db2.gz WLHCLIJRYSBZNW-LLVKDONJSA-N 2 2 240.351 0.211 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccn1 ZINC000036777310 167110617 /nfs/dbraw/zinc/11/06/17/167110617.db2.gz ODDNMMQPAWWKJX-CYBMUJFWSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccn1 ZINC000036777310 167110620 /nfs/dbraw/zinc/11/06/20/167110620.db2.gz ODDNMMQPAWWKJX-CYBMUJFWSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccncc1 ZINC000036775809 167112211 /nfs/dbraw/zinc/11/22/11/167112211.db2.gz GJHRDXXRJKYNNF-CYBMUJFWSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccncc1 ZINC000036775809 167112213 /nfs/dbraw/zinc/11/22/13/167112213.db2.gz GJHRDXXRJKYNNF-CYBMUJFWSA-N 2 2 237.347 0.872 10 0 BCAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCN1CCOCC1 ZINC000049216336 167394846 /nfs/dbraw/zinc/39/48/46/167394846.db2.gz LMBADCCPWGYUPL-CYBMUJFWSA-N 2 2 243.395 0.494 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300046820 411079045 /nfs/dbraw/zinc/07/90/45/411079045.db2.gz AGHAYALISJTOIS-GXSJLCMTSA-N 2 2 222.336 0.762 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300046820 411079048 /nfs/dbraw/zinc/07/90/48/411079048.db2.gz AGHAYALISJTOIS-GXSJLCMTSA-N 2 2 222.336 0.762 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070645766 411271657 /nfs/dbraw/zinc/27/16/57/411271657.db2.gz XYUVVIXNVDFXTC-LLVKDONJSA-N 2 2 222.292 0.510 10 0 BCAELP Nc1cc([C@H]2COCC[N@H+](CCO)C2)cc[nH+]1 ZINC000616659515 411280784 /nfs/dbraw/zinc/28/07/84/411280784.db2.gz KMNXWWPJXGWTDH-LLVKDONJSA-N 2 2 237.303 0.072 10 0 BCAELP Nc1cc([C@H]2COCC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616659515 411280787 /nfs/dbraw/zinc/28/07/87/411280787.db2.gz KMNXWWPJXGWTDH-LLVKDONJSA-N 2 2 237.303 0.072 10 0 BCAELP Nc1cc([C@H]2C[N@H+](CCO)CCO2)cc[nH+]1 ZINC000616645861 411281511 /nfs/dbraw/zinc/28/15/11/411281511.db2.gz UXCXJDDNWFOMGS-SNVBAGLBSA-N 2 2 223.276 0.029 10 0 BCAELP Nc1cc([C@H]2C[N@@H+](CCO)CCO2)cc[nH+]1 ZINC000616645861 411281514 /nfs/dbraw/zinc/28/15/14/411281514.db2.gz UXCXJDDNWFOMGS-SNVBAGLBSA-N 2 2 223.276 0.029 10 0 BCAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336768884 170039423 /nfs/dbraw/zinc/03/94/23/170039423.db2.gz UOPOMGXNJJWDLX-IVZWLZJFSA-N 2 2 213.325 0.180 10 0 BCAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(N)=O)C1 ZINC000336768884 170039424 /nfs/dbraw/zinc/03/94/24/170039424.db2.gz UOPOMGXNJJWDLX-IVZWLZJFSA-N 2 2 213.325 0.180 10 0 BCAELP CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 ZINC000036301644 170086075 /nfs/dbraw/zinc/08/60/75/170086075.db2.gz JSVKQVVEOHZMRY-SECBINFHSA-N 2 2 213.325 0.195 10 0 BCAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(N)=O ZINC000054601563 170109212 /nfs/dbraw/zinc/10/92/12/170109212.db2.gz YWJDAQCOLRHJST-FGWVZKOKSA-N 2 2 225.336 0.467 10 0 BCAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(N)=O ZINC000054601563 170109214 /nfs/dbraw/zinc/10/92/14/170109214.db2.gz YWJDAQCOLRHJST-FGWVZKOKSA-N 2 2 225.336 0.467 10 0 BCAELP CC[NH2+]C[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000062325178 170121918 /nfs/dbraw/zinc/12/19/18/170121918.db2.gz HHEBRQMKMUYQLQ-JTQLQIEISA-N 2 2 208.309 0.697 10 0 BCAELP CC[NH2+][C@@H](CCn1cc[nH+]c1CC)C(=O)OC ZINC000062537296 170145642 /nfs/dbraw/zinc/14/56/42/170145642.db2.gz QFDNBWBNDSBFDI-JTQLQIEISA-N 2 2 239.319 0.987 10 0 BCAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CCCO[C@H](C)C1 ZINC000061917233 170152765 /nfs/dbraw/zinc/15/27/65/170152765.db2.gz SCBIGBDEYFVEJO-JHJVBQTASA-N 2 2 242.363 0.864 10 0 BCAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CCCO[C@H](C)C1 ZINC000061917233 170152768 /nfs/dbraw/zinc/15/27/68/170152768.db2.gz SCBIGBDEYFVEJO-JHJVBQTASA-N 2 2 242.363 0.864 10 0 BCAELP CC[NH2+][C@H](C)CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000061270002 170157266 /nfs/dbraw/zinc/15/72/66/170157266.db2.gz WOFFEIYCGLEEQJ-MNOVXSKESA-N 2 2 238.335 0.776 10 0 BCAELP C[N@@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616661057 411896340 /nfs/dbraw/zinc/89/63/40/411896340.db2.gz ZVWSOIZJTLJTDF-SNVBAGLBSA-N 2 2 207.277 0.709 10 0 BCAELP C[N@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616661057 411896342 /nfs/dbraw/zinc/89/63/42/411896342.db2.gz ZVWSOIZJTLJTDF-SNVBAGLBSA-N 2 2 207.277 0.709 10 0 BCAELP Nc1cc([C@@H]2C[N@H+](CCO)CCCO2)cc[nH+]1 ZINC000616680194 411946679 /nfs/dbraw/zinc/94/66/79/411946679.db2.gz OWRHUXPSZWDAAB-NSHDSACASA-N 2 2 237.303 0.420 10 0 BCAELP Nc1cc([C@@H]2C[N@@H+](CCO)CCCO2)cc[nH+]1 ZINC000616680194 411946683 /nfs/dbraw/zinc/94/66/83/411946683.db2.gz OWRHUXPSZWDAAB-NSHDSACASA-N 2 2 237.303 0.420 10 0 BCAELP c1cn2c([nH+]1)CN(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662260125 412054094 /nfs/dbraw/zinc/05/40/94/412054094.db2.gz HYPQIHHKEQQTFA-NSHDSACASA-N 2 2 248.330 0.220 10 0 BCAELP CC[C@H](C)[NH2+]CC(=O)N1CCn2cc[nH+]c2C1 ZINC000062254844 171339072 /nfs/dbraw/zinc/33/90/72/171339072.db2.gz OOCHOLPNRSZSQC-JTQLQIEISA-N 2 2 236.319 0.613 10 0 BCAELP CC[C@H](C)[C@@](C)(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000037943734 171382347 /nfs/dbraw/zinc/38/23/47/171382347.db2.gz PKZNPLMNKQYPBF-JQWIXIFHSA-N 2 2 227.352 0.572 10 0 BCAELP CC[C@H](C)[C@@](C)(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000037943734 171382348 /nfs/dbraw/zinc/38/23/48/171382348.db2.gz PKZNPLMNKQYPBF-JQWIXIFHSA-N 2 2 227.352 0.572 10 0 BCAELP C[C@@H](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+](C)C ZINC000662635047 412251217 /nfs/dbraw/zinc/25/12/17/412251217.db2.gz UMYLPPCCWJNAPM-IUCAKERBSA-N 2 2 249.305 0.440 10 0 BCAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000044535890 173041924 /nfs/dbraw/zinc/04/19/24/173041924.db2.gz PQIMBEQYKKRWGW-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000044535890 173041927 /nfs/dbraw/zinc/04/19/27/173041927.db2.gz PQIMBEQYKKRWGW-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CCC[N@H+](C)C1 ZINC000053245671 173043331 /nfs/dbraw/zinc/04/33/31/173043331.db2.gz RXAQAYXSUZNLLF-UWVGGRQHSA-N 2 2 243.376 0.202 10 0 BCAELP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245671 173043333 /nfs/dbraw/zinc/04/33/33/173043333.db2.gz RXAQAYXSUZNLLF-UWVGGRQHSA-N 2 2 243.376 0.202 10 0 BCAELP 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10 0 BCAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822139 173143093 /nfs/dbraw/zinc/14/30/93/173143093.db2.gz YOFKGTRXTLGWHO-OLZOCXBDSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822139 173143097 /nfs/dbraw/zinc/14/30/97/173143097.db2.gz YOFKGTRXTLGWHO-OLZOCXBDSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822139 173143098 /nfs/dbraw/zinc/14/30/98/173143098.db2.gz YOFKGTRXTLGWHO-OLZOCXBDSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822139 173143101 /nfs/dbraw/zinc/14/31/01/173143101.db2.gz YOFKGTRXTLGWHO-OLZOCXBDSA-N 3 2 225.380 0.870 10 0 BCAELP CN1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC000061989434 173152296 /nfs/dbraw/zinc/15/22/96/173152296.db2.gz ACPHDTXZPHKBAW-JTQLQIEISA-N 2 2 208.309 0.256 10 0 BCAELP CNC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC000043495658 173223745 /nfs/dbraw/zinc/22/37/45/173223745.db2.gz USQOPKHYWHTBEJ-NSHDSACASA-N 2 2 225.336 0.196 10 0 BCAELP CNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000043495661 173224589 /nfs/dbraw/zinc/22/45/89/173224589.db2.gz USQOPKHYWHTBEJ-LLVKDONJSA-N 2 2 225.336 0.196 10 0 BCAELP CNC(=O)C[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040989243 173270499 /nfs/dbraw/zinc/27/04/99/173270499.db2.gz ZBCMLWZUUXEGBI-VHSXEESVSA-N 2 2 213.325 0.324 10 0 BCAELP CNC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040989243 173270502 /nfs/dbraw/zinc/27/05/02/173270502.db2.gz ZBCMLWZUUXEGBI-VHSXEESVSA-N 2 2 213.325 0.324 10 0 BCAELP CNC(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601948 173275398 /nfs/dbraw/zinc/27/53/98/173275398.db2.gz CRZQLFGOVWCERK-FGWVZKOKSA-N 2 2 225.336 0.337 10 0 BCAELP CNC(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601948 173275399 /nfs/dbraw/zinc/27/53/99/173275399.db2.gz CRZQLFGOVWCERK-FGWVZKOKSA-N 2 2 225.336 0.337 10 0 BCAELP C[NH2+]C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000037469333 173323698 /nfs/dbraw/zinc/32/36/98/173323698.db2.gz QRJRYUHWNIPGDO-LLVKDONJSA-N 2 2 225.336 0.339 10 0 BCAELP C[NH2+]CC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000193132580 173327352 /nfs/dbraw/zinc/32/73/52/173327352.db2.gz NNSICPFDNCZHIQ-MNOVXSKESA-N 2 2 236.319 0.512 10 0 BCAELP C[NH2+]CC(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037045832 173332485 /nfs/dbraw/zinc/33/24/85/173332485.db2.gz VXMVXISCNPEJSI-VHSXEESVSA-N 2 2 222.292 0.312 10 0 BCAELP C[NH2+]C[C@@]1(C[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC000051216811 173373128 /nfs/dbraw/zinc/37/31/28/173373128.db2.gz OJTXCVCZEDYCPA-VXGBXAGGSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@@]1(C[N@H+]2CCOC[C@H]2C)CCOC1 ZINC000051216811 173373129 /nfs/dbraw/zinc/37/31/29/173373129.db2.gz OJTXCVCZEDYCPA-VXGBXAGGSA-N 2 2 228.336 0.333 10 0 BCAELP C[NH2+]C[C@H]1CC[N@H+](CCS(=O)(=O)C(C)C)C1 ZINC000226420500 173381369 /nfs/dbraw/zinc/38/13/69/173381369.db2.gz VOSDFLZSTKIHCV-LLVKDONJSA-N 2 2 248.392 0.351 10 0 BCAELP C[NH2+]C[C@H]1CC[N@@H+](CCS(=O)(=O)C(C)C)C1 ZINC000226420500 173381371 /nfs/dbraw/zinc/38/13/71/173381371.db2.gz VOSDFLZSTKIHCV-LLVKDONJSA-N 2 2 248.392 0.351 10 0 BCAELP C[NH2+]Cc1cc(Cn2cc[nH+]c2C)on1 ZINC000016943572 173387516 /nfs/dbraw/zinc/38/75/16/173387516.db2.gz KJBAXZFSSHGVJO-UHFFFAOYSA-N 2 2 206.249 0.947 10 0 BCAELP COCC[N@H+]([C@@H](C)COC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042607202 174302119 /nfs/dbraw/zinc/30/21/19/174302119.db2.gz VJXZPPPTENOOKX-SDDRHHMPSA-N 2 2 246.351 0.086 10 0 BCAELP COCC[N@@H+]([C@@H](C)COC)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042607202 174302121 /nfs/dbraw/zinc/30/21/21/174302121.db2.gz VJXZPPPTENOOKX-SDDRHHMPSA-N 2 2 246.351 0.086 10 0 BCAELP COCC[C@@H]([NH3+])C[N@H+](CCOC)[C@H](C)COC ZINC000052810946 174391626 /nfs/dbraw/zinc/39/16/26/174391626.db2.gz UEJUMBIXWZUEKE-VXGBXAGGSA-N 2 2 248.367 0.334 10 0 BCAELP COCC[C@@H]([NH3+])C[N@@H+](CCOC)[C@H](C)COC ZINC000052810946 174391628 /nfs/dbraw/zinc/39/16/28/174391628.db2.gz UEJUMBIXWZUEKE-VXGBXAGGSA-N 2 2 248.367 0.334 10 0 BCAELP COc1cc([C@H]([NH3+])C[NH3+])cc(F)c1F ZINC000044474322 175016650 /nfs/dbraw/zinc/01/66/50/175016650.db2.gz FIMMLKAEZFCSHW-SSDOTTSWSA-N 2 2 202.204 0.932 10 0 BCAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CCO)cc1 ZINC000020225842 175178310 /nfs/dbraw/zinc/17/83/10/175178310.db2.gz LRJJRQCVUDJEQT-GFCCVEGCSA-N 2 2 224.304 0.619 10 0 BCAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CCO)cc1 ZINC000020225842 175178311 /nfs/dbraw/zinc/17/83/11/175178311.db2.gz LRJJRQCVUDJEQT-GFCCVEGCSA-N 2 2 224.304 0.619 10 0 BCAELP COc1cccc(OC[C@@H](C[NH3+])[NH+](C)C)c1 ZINC000020400016 175284249 /nfs/dbraw/zinc/28/42/49/175284249.db2.gz QQOTVZWZAQNEOQ-SNVBAGLBSA-N 2 2 224.304 0.963 10 0 BCAELP COc1ccccc1C[NH2+]C[C@H](O)C[NH+](C)C ZINC000037874813 175330543 /nfs/dbraw/zinc/33/05/43/175330543.db2.gz UFCSEHYCBPYBGG-LBPRGKRZSA-N 2 2 238.331 0.707 10 0 BCAELP C[C@@H]1C(=O)NCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189271995 176044944 /nfs/dbraw/zinc/04/49/44/176044944.db2.gz WQVYGUZFBZJWHD-NEPJUHHUSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1C(=O)NCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000189271995 176044946 /nfs/dbraw/zinc/04/49/46/176044946.db2.gz WQVYGUZFBZJWHD-NEPJUHHUSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1C(=O)NCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000189271995 176044947 /nfs/dbraw/zinc/04/49/47/176044947.db2.gz WQVYGUZFBZJWHD-NEPJUHHUSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1C(=O)NCCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000189271995 176044949 /nfs/dbraw/zinc/04/49/49/176044949.db2.gz WQVYGUZFBZJWHD-NEPJUHHUSA-N 2 2 239.363 0.681 10 0 BCAELP C[C@@H]1CCN(CC[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847074 176170417 /nfs/dbraw/zinc/17/04/17/176170417.db2.gz VPBLQVOFGMYBTD-CHWSQXEVSA-N 2 2 241.379 0.378 10 0 BCAELP C[C@@H]1CC[N@H+](CCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847074 176170421 /nfs/dbraw/zinc/17/04/21/176170421.db2.gz VPBLQVOFGMYBTD-CHWSQXEVSA-N 2 2 241.379 0.378 10 0 BCAELP C[C@@H]1CC[N@@H+](CCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000224847074 176170423 /nfs/dbraw/zinc/17/04/23/176170423.db2.gz VPBLQVOFGMYBTD-CHWSQXEVSA-N 2 2 241.379 0.378 10 0 BCAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000040717287 176180207 /nfs/dbraw/zinc/18/02/07/176180207.db2.gz BIUHEGHKIKGFFE-KOLCDFICSA-N 2 2 208.309 0.762 10 0 BCAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000040717287 176180209 /nfs/dbraw/zinc/18/02/09/176180209.db2.gz BIUHEGHKIKGFFE-KOLCDFICSA-N 2 2 208.309 0.762 10 0 BCAELP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438596 176196510 /nfs/dbraw/zinc/19/65/10/176196510.db2.gz NCYUOIGLPBZHNU-WISYIIOYSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438596 176196512 /nfs/dbraw/zinc/19/65/12/176196512.db2.gz NCYUOIGLPBZHNU-WISYIIOYSA-N 2 2 239.363 0.842 10 0 BCAELP C[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000042335052 176335530 /nfs/dbraw/zinc/33/55/30/176335530.db2.gz IMXIXVYEISWVEJ-SNVBAGLBSA-N 2 2 230.377 0.932 10 0 BCAELP C[C@@H]1COCC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000042335052 176335531 /nfs/dbraw/zinc/33/55/31/176335531.db2.gz IMXIXVYEISWVEJ-SNVBAGLBSA-N 2 2 230.377 0.932 10 0 BCAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000674882158 487635532 /nfs/dbraw/zinc/63/55/32/487635532.db2.gz GTXPCPOLDQLQOY-JHJVBQTASA-N 2 2 241.379 0.247 10 0 BCAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000674882158 487635535 /nfs/dbraw/zinc/63/55/35/487635535.db2.gz GTXPCPOLDQLQOY-JHJVBQTASA-N 2 2 241.379 0.247 10 0 BCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000674882158 487635542 /nfs/dbraw/zinc/63/55/42/487635542.db2.gz GTXPCPOLDQLQOY-JHJVBQTASA-N 2 2 241.379 0.247 10 0 BCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000674882158 487635545 /nfs/dbraw/zinc/63/55/45/487635545.db2.gz GTXPCPOLDQLQOY-JHJVBQTASA-N 2 2 241.379 0.247 10 0 BCAELP C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000104129127 177059830 /nfs/dbraw/zinc/05/98/30/177059830.db2.gz LQKDDDIBWJWTIY-JTQLQIEISA-N 2 2 233.315 0.466 10 0 BCAELP C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000104129127 177059832 /nfs/dbraw/zinc/05/98/32/177059832.db2.gz LQKDDDIBWJWTIY-JTQLQIEISA-N 2 2 233.315 0.466 10 0 BCAELP C[C@H]1CCC[C@H](C(=O)N2CC[NH+](C)CC2)[NH2+]1 ZINC000019488487 177128963 /nfs/dbraw/zinc/12/89/63/177128963.db2.gz RMRIGWPTBQXIFP-WDEREUQCSA-N 2 2 225.336 0.291 10 0 BCAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCSCC2)CCO1 ZINC000042334916 177241098 /nfs/dbraw/zinc/24/10/98/177241098.db2.gz CKKSCIJZUFCEET-JTQLQIEISA-N 2 2 230.377 0.932 10 0 BCAELP C[C@H]1C[N@H+](C2(C[NH3+])CCSCC2)CCO1 ZINC000042334916 177241100 /nfs/dbraw/zinc/24/11/00/177241100.db2.gz CKKSCIJZUFCEET-JTQLQIEISA-N 2 2 230.377 0.932 10 0 BCAELP C[C@H]1C[N@H+](Cc2cccnc2C[NH3+])CCO1 ZINC000061656424 177265859 /nfs/dbraw/zinc/26/58/59/177265859.db2.gz PLIDFGSIJJSRPN-JTQLQIEISA-N 2 2 221.304 0.761 10 0 BCAELP C[C@H]1C[N@@H+](Cc2cccnc2C[NH3+])CCO1 ZINC000061656424 177265861 /nfs/dbraw/zinc/26/58/61/177265861.db2.gz PLIDFGSIJJSRPN-JTQLQIEISA-N 2 2 221.304 0.761 10 0 BCAELP C[C@H]1C[C@H]1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037774 177376250 /nfs/dbraw/zinc/37/62/50/177376250.db2.gz MMGKTPMORLSKPV-WDEREUQCSA-N 2 2 225.336 0.135 10 0 BCAELP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000400585271 226347524 /nfs/dbraw/zinc/34/75/24/226347524.db2.gz RWTHPPRITNYIRZ-XLPZGREQSA-N 2 2 226.242 0.640 10 0 BCAELP CCc1cc(NC[C@H]2COCC[NH2+]2)nc(C)[nH+]1 ZINC000234167431 487766100 /nfs/dbraw/zinc/76/61/00/487766100.db2.gz DAMNXFULSWNHKJ-NSHDSACASA-N 2 2 236.319 0.748 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089463201 487823007 /nfs/dbraw/zinc/82/30/07/487823007.db2.gz HFHLTVZTPBQXQE-ZJUUUORDSA-N 2 2 236.319 0.743 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089463203 487823214 /nfs/dbraw/zinc/82/32/14/487823214.db2.gz HFHLTVZTPBQXQE-VHSXEESVSA-N 2 2 236.319 0.743 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000568765618 326376368 /nfs/dbraw/zinc/37/63/68/326376368.db2.gz OVKYZGRACXGRSR-NXEZZACHSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000568765618 326376370 /nfs/dbraw/zinc/37/63/70/326376370.db2.gz OVKYZGRACXGRSR-NXEZZACHSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000568765621 326376504 /nfs/dbraw/zinc/37/65/04/326376504.db2.gz OVKYZGRACXGRSR-ZJUUUORDSA-N 2 2 238.339 0.423 10 0 BCAELP CC(C)n1nnnc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000568765621 326376505 /nfs/dbraw/zinc/37/65/05/326376505.db2.gz OVKYZGRACXGRSR-ZJUUUORDSA-N 2 2 238.339 0.423 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH+]c[nH]1 ZINC000084311431 488045103 /nfs/dbraw/zinc/04/51/03/488045103.db2.gz PDCGEKPGLACRCZ-WPRPVWTQSA-N 2 2 222.292 0.401 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1c[nH]c[nH+]1 ZINC000084311431 488045107 /nfs/dbraw/zinc/04/51/07/488045107.db2.gz PDCGEKPGLACRCZ-WPRPVWTQSA-N 2 2 222.292 0.401 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000136317564 488094885 /nfs/dbraw/zinc/09/48/85/488094885.db2.gz ZCZWJKNBMIDLMR-MNOVXSKESA-N 2 2 238.335 0.761 10 0 BCAELP Cn1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)nn1 ZINC000389834929 488116416 /nfs/dbraw/zinc/11/64/16/488116416.db2.gz MXTDCYGWQKRZNA-SECBINFHSA-N 2 2 209.297 0.047 10 0 BCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000094647539 487547674 /nfs/dbraw/zinc/54/76/74/487547674.db2.gz SMXZYKNYXIGWIL-WDEREUQCSA-N 2 2 236.319 0.387 10 0 BCAELP CCc1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000380541836 487478284 /nfs/dbraw/zinc/47/82/84/487478284.db2.gz HJTUWUGMOZLSDR-GXSJLCMTSA-N 2 2 222.336 0.904 10 0 BCAELP CCc1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000380541836 487478286 /nfs/dbraw/zinc/47/82/86/487478286.db2.gz HJTUWUGMOZLSDR-GXSJLCMTSA-N 2 2 222.336 0.904 10 0 BCAELP CCn1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)nn1 ZINC000404431728 488160004 /nfs/dbraw/zinc/16/00/04/488160004.db2.gz NJDBTIAFFGBCND-SNVBAGLBSA-N 2 2 223.324 0.530 10 0 BCAELP Cc1nc(NC[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000235972451 490185202 /nfs/dbraw/zinc/18/52/02/490185202.db2.gz QMXOEKWWJMPKQW-SECBINFHSA-N 2 2 208.265 0.185 10 0 BCAELP OCC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309630249 491153230 /nfs/dbraw/zinc/15/32/30/491153230.db2.gz KCZSQRRHIBHLNY-VXGBXAGGSA-N 2 2 244.404 0.786 10 0 BCAELP OCC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000309630249 491153231 /nfs/dbraw/zinc/15/32/31/491153231.db2.gz KCZSQRRHIBHLNY-VXGBXAGGSA-N 2 2 244.404 0.786 10 0 BCAELP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)[C@H]1CCC[NH2+]1 ZINC000400434911 533910398 /nfs/dbraw/zinc/91/03/98/533910398.db2.gz LAXBCZKIEAMENT-SDDRHHMPSA-N 2 2 227.352 0.047 10 0 BCAELP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000070854850 518195306 /nfs/dbraw/zinc/19/53/06/518195306.db2.gz ZCKOUAJGNFDPDI-VIFPVBQESA-N 2 2 222.292 0.036 10 0 BCAELP CC(=O)N[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261576348 534663030 /nfs/dbraw/zinc/66/30/30/534663030.db2.gz KHPWQWQTCYJJSB-JTQLQIEISA-N 2 2 213.325 0.324 10 0 BCAELP CC(=O)N[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261576348 534663036 /nfs/dbraw/zinc/66/30/36/534663036.db2.gz KHPWQWQTCYJJSB-JTQLQIEISA-N 2 2 213.325 0.324 10 0 BCAELP CCn1c(C)nnc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261759228 535974679 /nfs/dbraw/zinc/97/46/79/535974679.db2.gz QVZVSZYIFLMDDU-LBPRGKRZSA-N 2 2 237.351 0.777 10 0 BCAELP CCn1c(C)nnc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261759228 535974686 /nfs/dbraw/zinc/97/46/86/535974686.db2.gz QVZVSZYIFLMDDU-LBPRGKRZSA-N 2 2 237.351 0.777 10 0 BCAELP C[NH2+][C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]2C(N)=O)C1 ZINC000757159569 582540987 /nfs/dbraw/zinc/54/09/87/582540987.db2.gz QLNJFLFETLCMRE-BBBLOLIVSA-N 2 2 211.309 0.077 10 0 BCAELP C[NH2+][C@@H]1CCC[C@@H]([N@H+]2CC[C@H]2C(N)=O)C1 ZINC000757159569 582540988 /nfs/dbraw/zinc/54/09/88/582540988.db2.gz QLNJFLFETLCMRE-BBBLOLIVSA-N 2 2 211.309 0.077 10 0 BCAELP CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529950 582865058 /nfs/dbraw/zinc/86/50/58/582865058.db2.gz IINDOWVTNUZHSW-SNVBAGLBSA-N 2 2 228.336 0.999 10 0 BCAELP CC(C)(C)OC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529950 582865060 /nfs/dbraw/zinc/86/50/60/582865060.db2.gz IINDOWVTNUZHSW-SNVBAGLBSA-N 2 2 228.336 0.999 10 0 BCAELP CC[NH2+][C@H](Cn1cc[nH+]c1)C(=O)OCC ZINC000045432040 582878440 /nfs/dbraw/zinc/87/84/40/582878440.db2.gz FCWVETSTWAAVMS-SECBINFHSA-N 2 2 211.265 0.424 10 0 BCAELP CCC[NH2+][C@](C)(Cn1cc[nH+]c1)C(N)=O ZINC000045432228 582878445 /nfs/dbraw/zinc/87/84/45/582878445.db2.gz FJNCUVJAYOIABU-SNVBAGLBSA-N 2 2 210.281 0.127 10 0 BCAELP [NH3+]C[C@@H]1CC[N@@H+]1CCCO[C@H]1CCOC1 ZINC000757152130 586429475 /nfs/dbraw/zinc/42/94/75/586429475.db2.gz YVHILPJBOWYKML-QWRGUYRKSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]C[C@@H]1CC[N@H+]1CCCO[C@H]1CCOC1 ZINC000757152130 586429476 /nfs/dbraw/zinc/42/94/76/586429476.db2.gz YVHILPJBOWYKML-QWRGUYRKSA-N 2 2 214.309 0.215 10 0 BCAELP CC[C@@H](C)Cn1c[nH+]c(C[C@H]([NH3+])CO)c1 ZINC000757193259 586436328 /nfs/dbraw/zinc/43/63/28/586436328.db2.gz ZSDFTVCIYICNOQ-ZJUUUORDSA-N 2 2 211.309 0.791 10 0 BCAELP CNc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000125627886 634603104 /nfs/dbraw/zinc/60/31/04/634603104.db2.gz DBNWYGUXIHWKDJ-ZJUUUORDSA-N 2 2 235.335 0.905 10 0 BCAELP C[C@H](CC[NH3+])Nc1cc(N(C)C)nc[nH+]1 ZINC000258550103 631498119 /nfs/dbraw/zinc/49/81/19/631498119.db2.gz AMQBZZXWCIBUHU-MRVPVSSYSA-N 2 2 209.297 0.692 10 0 BCAELP C[C@H](CC[NH3+])Nc1cc(N(C)C)[nH+]cn1 ZINC000258550103 631498127 /nfs/dbraw/zinc/49/81/27/631498127.db2.gz AMQBZZXWCIBUHU-MRVPVSSYSA-N 2 2 209.297 0.692 10 0 BCAELP Cc1cc(N)nc(N2CCc3c([nH+]cn3C)C2)[nH+]1 ZINC000892390234 632590430 /nfs/dbraw/zinc/59/04/30/632590430.db2.gz ATAOMJYOLKWUOD-UHFFFAOYSA-N 2 2 244.302 0.663 10 0 BCAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040503526 633816701 /nfs/dbraw/zinc/81/67/01/633816701.db2.gz AEEYXPFAENLWLP-ZJUUUORDSA-N 2 2 243.376 0.249 10 0 BCAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000040503526 633816703 /nfs/dbraw/zinc/81/67/03/633816703.db2.gz AEEYXPFAENLWLP-ZJUUUORDSA-N 2 2 243.376 0.249 10 0 BCAELP CCCCOC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310309335 634112195 /nfs/dbraw/zinc/11/21/95/634112195.db2.gz DJFMMEOTFNNHQH-SRVKXCTJSA-N 2 2 240.347 0.999 10 0 BCAELP CCCCOC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310309335 634112199 /nfs/dbraw/zinc/11/21/99/634112199.db2.gz DJFMMEOTFNNHQH-SRVKXCTJSA-N 2 2 240.347 0.999 10 0 BCAELP C[C@H](C[NH3+])CNc1cc(N(C)C)nc[nH+]1 ZINC000258764149 635196929 /nfs/dbraw/zinc/19/69/29/635196929.db2.gz YBPAJBVKPYBGKS-MRVPVSSYSA-N 2 2 209.297 0.549 10 0 BCAELP C[C@H](C[NH3+])CNc1cc(N(C)C)[nH+]cn1 ZINC000258764149 635196934 /nfs/dbraw/zinc/19/69/34/635196934.db2.gz YBPAJBVKPYBGKS-MRVPVSSYSA-N 2 2 209.297 0.549 10 0 BCAELP COC(=O)[C@@](C)([NH3+])CCCCn1cc[nH+]c1 ZINC000045431664 640557417 /nfs/dbraw/zinc/55/74/17/640557417.db2.gz PNWMUFJRWMMZOD-NSHDSACASA-N 2 2 225.292 0.944 10 0 BCAELP COC(=O)[C@](C)([NH3+])Cn1cc[nH+]c1C(C)C ZINC000045430849 640558194 /nfs/dbraw/zinc/55/81/94/640558194.db2.gz GKZFCLCUEXQREF-LLVKDONJSA-N 2 2 225.292 0.897 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000227883211 640852049 /nfs/dbraw/zinc/85/20/49/640852049.db2.gz SLGROAGVQNKGGK-NEPJUHHUSA-N 2 2 230.352 0.587 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000227883211 640852051 /nfs/dbraw/zinc/85/20/51/640852051.db2.gz SLGROAGVQNKGGK-NEPJUHHUSA-N 2 2 230.352 0.587 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000227883214 640852817 /nfs/dbraw/zinc/85/28/17/640852817.db2.gz SLGROAGVQNKGGK-VXGBXAGGSA-N 2 2 230.352 0.587 10 0 BCAELP CCCCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000227883214 640852822 /nfs/dbraw/zinc/85/28/22/640852822.db2.gz SLGROAGVQNKGGK-VXGBXAGGSA-N 2 2 230.352 0.587 10 0 BCAELP CNc1cc(N2CC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000087829108 641061271 /nfs/dbraw/zinc/06/12/71/641061271.db2.gz APPTXDGQLSXZGM-SECBINFHSA-N 2 2 221.308 0.659 10 0 BCAELP CCCc1[nH+]ccn1CC[C@H]([NH3+])C(=O)OC ZINC000069964617 643452721 /nfs/dbraw/zinc/45/27/21/643452721.db2.gz RVCJTISXGXNZHR-VIFPVBQESA-N 2 2 225.292 0.726 10 0 BCAELP NC(=O)[C@@]1([NH3+])CCC[C@@H]1CCn1cc[nH+]c1 ZINC000086547934 644147969 /nfs/dbraw/zinc/14/79/69/644147969.db2.gz DAUUCBGDDDJHMM-MWLCHTKSSA-N 2 2 222.292 0.256 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720803519 712867285 /nfs/dbraw/zinc/86/72/85/712867285.db2.gz HQHXCOVEUPASQW-RYUDHWBXSA-N 2 2 244.379 0.833 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724558212 711590105 /nfs/dbraw/zinc/59/01/05/711590105.db2.gz NZONDGCGNUWXGM-FIQHERPVSA-N 2 2 226.320 0.213 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724558212 711590108 /nfs/dbraw/zinc/59/01/08/711590108.db2.gz NZONDGCGNUWXGM-FIQHERPVSA-N 2 2 226.320 0.213 10 0 BCAELP C([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722311411 711734357 /nfs/dbraw/zinc/73/43/57/711734357.db2.gz DAMZCVYKMYBAJU-SRVKXCTJSA-N 2 2 210.321 0.896 10 0 BCAELP CCCCOC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000379775643 712398871 /nfs/dbraw/zinc/39/88/71/712398871.db2.gz CTUBVEGKVSCYTR-GHMZBOCLSA-N 2 2 218.341 0.443 10 0 BCAELP CCCCOC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000379775643 712398872 /nfs/dbraw/zinc/39/88/72/712398872.db2.gz CTUBVEGKVSCYTR-GHMZBOCLSA-N 2 2 218.341 0.443 10 0 BCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[C@H]([NH3+])C1 ZINC000715084813 712507500 /nfs/dbraw/zinc/50/75/00/712507500.db2.gz BUCLJQLCUQVRLT-ZKCHVHJHSA-N 2 2 232.291 0.513 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720803519 712867283 /nfs/dbraw/zinc/86/72/83/712867283.db2.gz HQHXCOVEUPASQW-RYUDHWBXSA-N 2 2 244.379 0.833 10 0 BCAELP CC(C)C[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000132882929 719336729 /nfs/dbraw/zinc/33/67/29/719336729.db2.gz LEDRTRVPZBLCSZ-UHFFFAOYSA-N 2 2 235.335 0.837 10 0 BCAELP CC[NH+](CC)C[C@H](O)Cn1c[nH+]c(N)c1 ZINC000685964216 538911145 /nfs/dbraw/zinc/91/11/45/538911145.db2.gz PGWGQJXRNXVEQH-VIFPVBQESA-N 2 2 212.297 0.168 10 0 BCAELP NC(=O)c1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616612136 349479376 /nfs/dbraw/zinc/47/93/76/349479376.db2.gz MUFNIIVVVYNBJM-LBPRGKRZSA-N 2 2 233.315 0.534 10 0 BCAELP NC(=O)c1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616612136 349479380 /nfs/dbraw/zinc/47/93/80/349479380.db2.gz MUFNIIVVVYNBJM-LBPRGKRZSA-N 2 2 233.315 0.534 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000380208414 398191345 /nfs/dbraw/zinc/19/13/45/398191345.db2.gz GSSRCAHUPRCAOP-SECBINFHSA-N 2 2 224.308 0.708 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000380225454 398191874 /nfs/dbraw/zinc/19/18/74/398191874.db2.gz NZKWIKVYOODRHC-ZJUUUORDSA-N 2 2 236.319 0.709 10 0 BCAELP Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000301667416 178121278 /nfs/dbraw/zinc/12/12/78/178121278.db2.gz OZRYXALLWWNCOI-RYUDHWBXSA-N 2 2 248.330 0.613 10 0 BCAELP Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000301667416 178121282 /nfs/dbraw/zinc/12/12/82/178121282.db2.gz OZRYXALLWWNCOI-RYUDHWBXSA-N 2 2 248.330 0.613 10 0 BCAELP Cc1cc(C)n(CC[N@@H+]2CCC[C@H]2C[NH3+])n1 ZINC000386782388 398219726 /nfs/dbraw/zinc/21/97/26/398219726.db2.gz MNJPJNOVELICGT-LBPRGKRZSA-N 2 2 222.336 0.923 10 0 BCAELP Cc1cc(C)n(CC[N@H+]2CCC[C@H]2C[NH3+])n1 ZINC000386782388 398219727 /nfs/dbraw/zinc/21/97/27/398219727.db2.gz MNJPJNOVELICGT-LBPRGKRZSA-N 2 2 222.336 0.923 10 0 BCAELP Cc1cc(C)n(CC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000386764446 398219865 /nfs/dbraw/zinc/21/98/65/398219865.db2.gz JCYNYOAKEMXYOP-JOYOIKCWSA-N 2 2 222.336 0.779 10 0 BCAELP Cc1cc(C)n(CC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000386764446 398219868 /nfs/dbraw/zinc/21/98/68/398219868.db2.gz JCYNYOAKEMXYOP-JOYOIKCWSA-N 2 2 222.336 0.779 10 0 BCAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)CC(N)=O ZINC000386340854 398264830 /nfs/dbraw/zinc/26/48/30/398264830.db2.gz RVEBWXWMRFBZEZ-VIFPVBQESA-N 2 2 213.325 0.324 10 0 BCAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)CC(N)=O ZINC000386340854 398264833 /nfs/dbraw/zinc/26/48/33/398264833.db2.gz RVEBWXWMRFBZEZ-VIFPVBQESA-N 2 2 213.325 0.324 10 0 BCAELP NC(=O)c1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616613137 349614064 /nfs/dbraw/zinc/61/40/64/349614064.db2.gz YRVWEZHPLLPDJJ-JTQLQIEISA-N 2 2 233.315 0.534 10 0 BCAELP NC(=O)c1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616613137 349614068 /nfs/dbraw/zinc/61/40/68/349614068.db2.gz YRVWEZHPLLPDJJ-JTQLQIEISA-N 2 2 233.315 0.534 10 0 BCAELP CC(C)([NH3+])C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000306656712 361865656 /nfs/dbraw/zinc/86/56/56/361865656.db2.gz HGSCMMCCKYCUAS-SNVBAGLBSA-N 2 2 200.326 0.818 10 0 BCAELP CC(C)([NH3+])C[N@H+]1CCCC[C@@H](CO)C1 ZINC000306656712 361865662 /nfs/dbraw/zinc/86/56/62/361865662.db2.gz HGSCMMCCKYCUAS-SNVBAGLBSA-N 2 2 200.326 0.818 10 0 BCAELP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cocn1)C2 ZINC000390233652 539020542 /nfs/dbraw/zinc/02/05/42/539020542.db2.gz FDOXYXMAIPRCDV-SECBINFHSA-N 2 2 218.260 0.976 10 0 BCAELP C[N@@H+]1CCN(c2nccc3occc32)[C@@H](C[NH3+])C1 ZINC000234356021 342921660 /nfs/dbraw/zinc/92/16/60/342921660.db2.gz JVGIMDVMVZISRU-JTQLQIEISA-N 2 2 246.314 0.907 10 0 BCAELP C[N@H+]1CCN(c2nccc3occc32)[C@@H](C[NH3+])C1 ZINC000234356021 342921662 /nfs/dbraw/zinc/92/16/62/342921662.db2.gz JVGIMDVMVZISRU-JTQLQIEISA-N 2 2 246.314 0.907 10 0 BCAELP COC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534065 536630540 /nfs/dbraw/zinc/63/05/40/536630540.db2.gz LRQDWZAIWGOJML-DTWKUNHWSA-N 2 2 214.309 0.607 10 0 BCAELP COC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261534065 536630545 /nfs/dbraw/zinc/63/05/45/536630545.db2.gz LRQDWZAIWGOJML-DTWKUNHWSA-N 2 2 214.309 0.607 10 0 BCAELP COC[C@H](C)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000189510659 346891963 /nfs/dbraw/zinc/89/19/63/346891963.db2.gz MKTAZEZSUXLVAG-VXGBXAGGSA-N 2 2 230.352 0.531 10 0 BCAELP COC[C@H](C)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000189510659 346891964 /nfs/dbraw/zinc/89/19/64/346891964.db2.gz MKTAZEZSUXLVAG-VXGBXAGGSA-N 2 2 230.352 0.531 10 0 BCAELP COC(=O)[C@@H]1C[NH2+]C[C@@H]([NH+]2CCCC2)C1 ZINC000107214238 343075415 /nfs/dbraw/zinc/07/54/15/343075415.db2.gz IIDSVJFGGREHFW-UWVGGRQHSA-N 2 2 212.293 0.233 10 0 BCAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000147822537 343075913 /nfs/dbraw/zinc/07/59/13/343075913.db2.gz WBYKRESBRFTKBV-VXGBXAGGSA-N 2 2 206.289 0.581 10 0 BCAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000147822537 343075914 /nfs/dbraw/zinc/07/59/14/343075914.db2.gz WBYKRESBRFTKBV-VXGBXAGGSA-N 2 2 206.289 0.581 10 0 BCAELP CO[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C)O2)[C@@](C)(C[NH3+])C1 ZINC000634688462 343247525 /nfs/dbraw/zinc/24/75/25/343247525.db2.gz TVNBTLUWCQSGKE-MROQNXINSA-N 2 2 242.363 0.992 10 0 BCAELP CO[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C)O2)[C@@](C)(C[NH3+])C1 ZINC000634688462 343247526 /nfs/dbraw/zinc/24/75/26/343247526.db2.gz TVNBTLUWCQSGKE-MROQNXINSA-N 2 2 242.363 0.992 10 0 BCAELP Cc1nc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc[nH+]1 ZINC000083119034 343473593 /nfs/dbraw/zinc/47/35/93/343473593.db2.gz MVTRCBQXQPDSMT-BDAKNGLRSA-N 2 2 206.293 0.972 10 0 BCAELP CCc1nc(N2CCN(C)C[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000381053283 343914389 /nfs/dbraw/zinc/91/43/89/343914389.db2.gz RXWKPGCXKPGJQH-LLVKDONJSA-N 2 2 249.362 0.427 10 0 BCAELP CCn1cc[nH+]c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049517 344380653 /nfs/dbraw/zinc/38/06/53/344380653.db2.gz SIXPAJOLHSVPPJ-VHSXEESVSA-N 2 2 208.309 0.682 10 0 BCAELP [NH3+]Cc1ccc(C[NH+]2CCOCC2)cn1 ZINC000238621282 344697811 /nfs/dbraw/zinc/69/78/11/344697811.db2.gz MMDADHCUYBCCBG-UHFFFAOYSA-N 2 2 207.277 0.373 10 0 BCAELP [NH3+]C[C@@H]([NH3+])c1ccnc(Br)c1 ZINC000044472883 345090896 /nfs/dbraw/zinc/09/08/96/345090896.db2.gz QUIYLMIFVJCVKI-ZCFIWIBFSA-N 2 2 216.082 0.803 10 0 BCAELP C[C@H]1C[N@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000634999806 345201274 /nfs/dbraw/zinc/20/12/74/345201274.db2.gz ZFTWTNMOCBRWPV-UWVGGRQHSA-N 2 2 208.309 0.447 10 0 BCAELP C[C@H]1C[N@@H+](Cc2nccn2C)C[C@@H]1C[NH3+] ZINC000634999806 345201277 /nfs/dbraw/zinc/20/12/77/345201277.db2.gz ZFTWTNMOCBRWPV-UWVGGRQHSA-N 2 2 208.309 0.447 10 0 BCAELP CCCn1ncnc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675079025 537901411 /nfs/dbraw/zinc/90/14/11/537901411.db2.gz UZYLBDSUKHKRMG-SECBINFHSA-N 2 2 207.281 0.002 10 0 BCAELP OCC[N@@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000381859857 346655098 /nfs/dbraw/zinc/65/50/98/346655098.db2.gz VYTLMBQANNLSRQ-GFCCVEGCSA-N 2 2 244.404 0.928 10 0 BCAELP OCC[N@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000381859857 346655100 /nfs/dbraw/zinc/65/51/00/346655100.db2.gz VYTLMBQANNLSRQ-GFCCVEGCSA-N 2 2 244.404 0.928 10 0 BCAELP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000641819025 362771407 /nfs/dbraw/zinc/77/14/07/362771407.db2.gz GIPOZVRMXDPEJU-DTWKUNHWSA-N 2 2 225.292 0.710 10 0 BCAELP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000641819025 362771408 /nfs/dbraw/zinc/77/14/08/362771408.db2.gz GIPOZVRMXDPEJU-DTWKUNHWSA-N 2 2 225.292 0.710 10 0 BCAELP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@H]1CCC(=O)C1 ZINC000250643885 362814379 /nfs/dbraw/zinc/81/43/79/362814379.db2.gz UPXCZXCEDIZEEP-QWRGUYRKSA-N 2 2 210.321 0.992 10 0 BCAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)[C@H]1CCC(=O)C1 ZINC000250643885 362814385 /nfs/dbraw/zinc/81/43/85/362814385.db2.gz UPXCZXCEDIZEEP-QWRGUYRKSA-N 2 2 210.321 0.992 10 0 BCAELP C[NH+](C[C@H]1CC[N@H+](C)C1)[C@H]1CCC(=O)C1 ZINC000250643885 362814394 /nfs/dbraw/zinc/81/43/94/362814394.db2.gz UPXCZXCEDIZEEP-QWRGUYRKSA-N 2 2 210.321 0.992 10 0 BCAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)[C@H]1CCC(=O)C1 ZINC000250643885 362814397 /nfs/dbraw/zinc/81/43/97/362814397.db2.gz UPXCZXCEDIZEEP-QWRGUYRKSA-N 2 2 210.321 0.992 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396750818 362832927 /nfs/dbraw/zinc/83/29/27/362832927.db2.gz RXRIUQRYDSNXFQ-WDEREUQCSA-N 2 2 225.336 0.339 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000396750818 362832931 /nfs/dbraw/zinc/83/29/31/362832931.db2.gz RXRIUQRYDSNXFQ-WDEREUQCSA-N 2 2 225.336 0.339 10 0 BCAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396750815 362833015 /nfs/dbraw/zinc/83/30/15/362833015.db2.gz RXRIUQRYDSNXFQ-GHMZBOCLSA-N 2 2 225.336 0.339 10 0 BCAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000396750815 362833017 /nfs/dbraw/zinc/83/30/17/362833017.db2.gz RXRIUQRYDSNXFQ-GHMZBOCLSA-N 2 2 225.336 0.339 10 0 BCAELP C[N@H+](CC[C@H]([NH3+])C(N)=O)C1CCCCC1 ZINC000062442882 537997036 /nfs/dbraw/zinc/99/70/36/537997036.db2.gz HHMXCFMIWDIFIX-JTQLQIEISA-N 2 2 213.325 0.454 10 0 BCAELP C[N@@H+](CC[C@H]([NH3+])C(N)=O)C1CCCCC1 ZINC000062442882 537997044 /nfs/dbraw/zinc/99/70/44/537997044.db2.gz HHMXCFMIWDIFIX-JTQLQIEISA-N 2 2 213.325 0.454 10 0 BCAELP O[C@]1(C[NH2+]C2CC2)CC[NH2+]CC1(F)F ZINC000669381976 538001946 /nfs/dbraw/zinc/00/19/46/538001946.db2.gz CIYNOAWNVDABIC-QMMMGPOBSA-N 2 2 206.236 0.098 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](CC1CC1)CCC2=O ZINC000725246179 538005058 /nfs/dbraw/zinc/00/50/58/538005058.db2.gz RECVREKVRVPUGT-ZWNOBZJWSA-N 2 2 222.332 0.897 10 0 BCAELP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](CC1CC1)CCC2=O ZINC000725246179 538005065 /nfs/dbraw/zinc/00/50/65/538005065.db2.gz RECVREKVRVPUGT-ZWNOBZJWSA-N 2 2 222.332 0.897 10 0 BCAELP CC(C)C[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669382489 538005593 /nfs/dbraw/zinc/00/55/93/538005593.db2.gz LQEUUDGAVMNTAM-VIFPVBQESA-N 2 2 222.279 0.592 10 0 BCAELP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](C1CC1)CCC2=O ZINC000725246615 538008451 /nfs/dbraw/zinc/00/84/51/538008451.db2.gz ZNZGFKHRWOZGIY-SKDRFNHKSA-N 2 2 208.305 0.649 10 0 BCAELP C[C@@H]1C[NH2+]C[C@]12C[N@H+](C1CC1)CCC2=O ZINC000725246615 538008454 /nfs/dbraw/zinc/00/84/54/538008454.db2.gz ZNZGFKHRWOZGIY-SKDRFNHKSA-N 2 2 208.305 0.649 10 0 BCAELP CC(C)[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669383618 538013758 /nfs/dbraw/zinc/01/37/58/538013758.db2.gz VWOWHJDWVIZOCW-QMMMGPOBSA-N 2 2 208.252 0.344 10 0 BCAELP C[NH2+][C@H](C)C(=O)NCCCCn1cc[nH+]c1 ZINC000054076818 348880235 /nfs/dbraw/zinc/88/02/35/348880235.db2.gz CAYUQEQJYDUMPF-SNVBAGLBSA-N 2 2 224.308 0.387 10 0 BCAELP Cc1ccnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000251000162 349180950 /nfs/dbraw/zinc/18/09/50/349180950.db2.gz WEMHCKPKAWBSMR-LLVKDONJSA-N 2 2 220.320 0.469 10 0 BCAELP Cc1ccnc(N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000251000162 349180955 /nfs/dbraw/zinc/18/09/55/349180955.db2.gz WEMHCKPKAWBSMR-LLVKDONJSA-N 2 2 220.320 0.469 10 0 BCAELP CC(C)c1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000250579112 349175002 /nfs/dbraw/zinc/17/50/02/349175002.db2.gz RVNSPWOGBBUPDE-LLVKDONJSA-N 2 2 249.362 0.679 10 0 BCAELP CC(C)c1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000250579112 349175005 /nfs/dbraw/zinc/17/50/05/349175005.db2.gz RVNSPWOGBBUPDE-LLVKDONJSA-N 2 2 249.362 0.679 10 0 BCAELP CCCN1C(=O)CC[C@@H]([NH3+])[C@H]1c1c[nH+]cn1C ZINC000090166875 191001218 /nfs/dbraw/zinc/00/12/18/191001218.db2.gz KYQPKRFMRALAID-SKDRFNHKSA-N 2 2 236.319 0.821 10 0 BCAELP CCCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C ZINC000090166880 191001496 /nfs/dbraw/zinc/00/14/96/191001496.db2.gz KYQPKRFMRALAID-JOYOIKCWSA-N 2 2 236.319 0.821 10 0 BCAELP Nc1ncc(C[N@@H+]2CCC[C@H]2C[NH3+])s1 ZINC000307505267 323240813 /nfs/dbraw/zinc/24/08/13/323240813.db2.gz KYSIJTXWRUMRMY-ZETCQYMHSA-N 2 2 212.322 0.648 10 0 BCAELP Nc1ncc(C[N@H+]2CCC[C@H]2C[NH3+])s1 ZINC000307505267 323240816 /nfs/dbraw/zinc/24/08/16/323240816.db2.gz KYSIJTXWRUMRMY-ZETCQYMHSA-N 2 2 212.322 0.648 10 0 BCAELP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000314896854 350176162 /nfs/dbraw/zinc/17/61/62/350176162.db2.gz MXJYLRVUQHKKPF-GFCCVEGCSA-N 2 2 239.319 0.046 10 0 BCAELP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](CO)C1 ZINC000314896854 350176166 /nfs/dbraw/zinc/17/61/66/350176166.db2.gz MXJYLRVUQHKKPF-GFCCVEGCSA-N 2 2 239.319 0.046 10 0 BCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335662345 180120024 /nfs/dbraw/zinc/12/00/24/180120024.db2.gz JUCVQYVMEVVZPT-SCZZXKLOSA-N 2 2 236.319 0.722 10 0 BCAELP Cc1[nH+]c[nH]c1C[NH2+][C@H](C)C(=O)N(C)C ZINC000054794636 180121861 /nfs/dbraw/zinc/12/18/61/180121861.db2.gz AMRAONVXAWPTHP-MRVPVSSYSA-N 2 2 210.281 0.284 10 0 BCAELP Cc1[nH+]c[nH]c1C[NH2+][C@H]1CCCCNC1=O ZINC000054795101 180122070 /nfs/dbraw/zinc/12/20/70/180122070.db2.gz VTMALWCMFKISPC-VIFPVBQESA-N 2 2 222.292 0.476 10 0 BCAELP Cc1nc(NC[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000227786341 180201199 /nfs/dbraw/zinc/20/11/99/180201199.db2.gz SRAOVFQHWQVVAF-SECBINFHSA-N 2 2 208.265 0.185 10 0 BCAELP Cc1nccc(C[NH2+]C2CC[NH+](C)CC2)n1 ZINC000038037284 180187801 /nfs/dbraw/zinc/18/78/01/180187801.db2.gz GORHRFJCOACRGP-UHFFFAOYSA-N 2 2 220.320 0.969 10 0 BCAELP Cc1nccc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)n1 ZINC000054790676 180189194 /nfs/dbraw/zinc/18/91/94/180189194.db2.gz SCUHRTLEJFCZSH-LLVKDONJSA-N 2 2 220.320 0.826 10 0 BCAELP Cc1nccc(C[NH2+]C[C@H]2CC[N@H+](C)C2)n1 ZINC000054790676 180189196 /nfs/dbraw/zinc/18/91/96/180189196.db2.gz SCUHRTLEJFCZSH-LLVKDONJSA-N 2 2 220.320 0.826 10 0 BCAELP Cc1[nH+]ccn1C[C@@H](C)c1noc(C[NH3+])n1 ZINC000073641069 180265657 /nfs/dbraw/zinc/26/56/57/180265657.db2.gz BFMCXIYGTXOQRX-SSDOTTSWSA-N 2 2 221.264 0.837 10 0 BCAELP Cc1[nH+]ccn1C[C@H](C)c1noc(C[NH3+])n1 ZINC000073641073 180268278 /nfs/dbraw/zinc/26/82/78/180268278.db2.gz BFMCXIYGTXOQRX-ZETCQYMHSA-N 2 2 221.264 0.837 10 0 BCAELP Cc1[nH+]cn(-c2nccnc2C[NH3+])c1C ZINC000054378327 180285243 /nfs/dbraw/zinc/28/52/43/180285243.db2.gz NQRDHOPNEUOOJE-UHFFFAOYSA-N 2 2 203.249 0.738 10 0 BCAELP Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235339581 180338246 /nfs/dbraw/zinc/33/82/46/180338246.db2.gz ARLCNKLEZLEILW-PELKAZGASA-N 2 2 222.336 0.816 10 0 BCAELP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235339581 180338248 /nfs/dbraw/zinc/33/82/48/180338248.db2.gz ARLCNKLEZLEILW-PELKAZGASA-N 2 2 222.336 0.816 10 0 BCAELP [NH3+]CCN1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616594204 350593024 /nfs/dbraw/zinc/59/30/24/350593024.db2.gz ONINERGINGTHFT-LBPRGKRZSA-N 2 2 236.319 0.501 10 0 BCAELP [NH3+]CCN1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616596551 350633494 /nfs/dbraw/zinc/63/34/94/350633494.db2.gz ZYOIJPAHVLRYAI-SNVBAGLBSA-N 2 2 210.281 0.063 10 0 BCAELP Nc1cccc([C@@H]2CCOCC[N@@H+]2CC[NH3+])c1 ZINC000616598584 350675558 /nfs/dbraw/zinc/67/55/58/350675558.db2.gz PZYAKKFFEBWVTF-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1cccc([C@@H]2CCOCC[N@H+]2CC[NH3+])c1 ZINC000616598584 350675559 /nfs/dbraw/zinc/67/55/59/350675559.db2.gz PZYAKKFFEBWVTF-ZDUSSCGKSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@H]1CCOCC[N@@H+]1CC[NH3+] ZINC000616599669 350755388 /nfs/dbraw/zinc/75/53/88/350755388.db2.gz UHAITSRJSPCVPO-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP Nc1ccccc1[C@H]1CCOCC[N@H+]1CC[NH3+] ZINC000616599669 350755390 /nfs/dbraw/zinc/75/53/90/350755390.db2.gz UHAITSRJSPCVPO-CYBMUJFWSA-N 2 2 235.331 0.991 10 0 BCAELP [NH3+]CCN1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616603907 350795871 /nfs/dbraw/zinc/79/58/71/350795871.db2.gz JSAAYVGOIBYPDW-JTQLQIEISA-N 2 2 208.309 0.938 10 0 BCAELP CCn1cc[nH+]c1CN(C)CC[N@H+](C)CCO ZINC000623091285 350872565 /nfs/dbraw/zinc/87/25/65/350872565.db2.gz WYTTXIYZSHUHDS-UHFFFAOYSA-N 2 2 240.351 0.259 10 0 BCAELP CCn1cc[nH+]c1CN(C)CC[N@@H+](C)CCO ZINC000623091285 350872568 /nfs/dbraw/zinc/87/25/68/350872568.db2.gz WYTTXIYZSHUHDS-UHFFFAOYSA-N 2 2 240.351 0.259 10 0 BCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079512268 351067929 /nfs/dbraw/zinc/06/79/29/351067929.db2.gz WPDVDBUGULFCQJ-CMPLNLGQSA-N 2 2 236.319 0.530 10 0 BCAELP C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000079518469 351071245 /nfs/dbraw/zinc/07/12/45/351071245.db2.gz JQTYYZBJEHTULM-CYBMUJFWSA-N 2 2 237.347 0.435 10 0 BCAELP Nc1[nH+]cccc1[C@H]1COCCN(CC[NH3+])C1 ZINC000616663603 351215944 /nfs/dbraw/zinc/21/59/44/351215944.db2.gz LCYYKLVVTCFJLF-SNVBAGLBSA-N 2 2 236.319 0.038 10 0 BCAELP C[C@H]([NH3+])CCNc1[nH+]cnc2c1cnn2C ZINC000063171652 351268883 /nfs/dbraw/zinc/26/88/83/351268883.db2.gz NBGZDLUSAYGAHK-ZETCQYMHSA-N 2 2 220.280 0.513 10 0 BCAELP [NH3+]CC1([N@@H+]2CCCSCC2)CSC1 ZINC000306947722 353046481 /nfs/dbraw/zinc/04/64/81/353046481.db2.gz QQHWCYYQFWGBJR-UHFFFAOYSA-N 2 2 218.391 0.870 10 0 BCAELP [NH3+]CC1([N@H+]2CCCSCC2)CSC1 ZINC000306947722 353046482 /nfs/dbraw/zinc/04/64/82/353046482.db2.gz QQHWCYYQFWGBJR-UHFFFAOYSA-N 2 2 218.391 0.870 10 0 BCAELP [NH3+]CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000307723604 353111612 /nfs/dbraw/zinc/11/16/12/353111612.db2.gz VPDWMGGEISBEMB-VIFPVBQESA-N 2 2 200.282 0.030 10 0 BCAELP [NH3+]CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000307723604 353111614 /nfs/dbraw/zinc/11/16/14/353111614.db2.gz VPDWMGGEISBEMB-VIFPVBQESA-N 2 2 200.282 0.030 10 0 BCAELP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000261983589 535199472 /nfs/dbraw/zinc/19/94/72/535199472.db2.gz RQEADGOXHDXGAJ-VIFPVBQESA-N 2 2 223.324 0.721 10 0 BCAELP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000261983589 535199476 /nfs/dbraw/zinc/19/94/76/535199476.db2.gz RQEADGOXHDXGAJ-VIFPVBQESA-N 2 2 223.324 0.721 10 0 BCAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336756602 353155977 /nfs/dbraw/zinc/15/59/77/353155977.db2.gz ITJQIKOZOHALFL-VHSXEESVSA-N 2 2 213.325 0.324 10 0 BCAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336756602 353155980 /nfs/dbraw/zinc/15/59/80/353155980.db2.gz ITJQIKOZOHALFL-VHSXEESVSA-N 2 2 213.325 0.324 10 0 BCAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336756601 353156075 /nfs/dbraw/zinc/15/60/75/353156075.db2.gz ITJQIKOZOHALFL-UWVGGRQHSA-N 2 2 213.325 0.324 10 0 BCAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(N)=O)C1 ZINC000336756601 353156078 /nfs/dbraw/zinc/15/60/78/353156078.db2.gz ITJQIKOZOHALFL-UWVGGRQHSA-N 2 2 213.325 0.324 10 0 BCAELP C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251742341 353287861 /nfs/dbraw/zinc/28/78/61/353287861.db2.gz KXIDQCNCIOZBLI-GRYCIOLGSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000251742341 353287863 /nfs/dbraw/zinc/28/78/63/353287863.db2.gz KXIDQCNCIOZBLI-GRYCIOLGSA-N 2 2 228.336 0.068 10 0 BCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037822968 358478989 /nfs/dbraw/zinc/47/89/89/358478989.db2.gz NQEMKZQQEYYPLV-JTQLQIEISA-N 2 2 236.319 0.378 10 0 BCAELP CN(C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000231670170 353642559 /nfs/dbraw/zinc/64/25/59/353642559.db2.gz AJQPGCFBXZENDN-LLVKDONJSA-N 2 2 239.363 0.681 10 0 BCAELP CN(C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000231670170 353642561 /nfs/dbraw/zinc/64/25/61/353642561.db2.gz AJQPGCFBXZENDN-LLVKDONJSA-N 2 2 239.363 0.681 10 0 BCAELP Cn1nccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231462269 353605943 /nfs/dbraw/zinc/60/59/43/353605943.db2.gz DILPXVYNYPKQLS-LLVKDONJSA-N 2 2 222.336 0.994 10 0 BCAELP Cn1nccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231462269 353605944 /nfs/dbraw/zinc/60/59/44/353605944.db2.gz DILPXVYNYPKQLS-LLVKDONJSA-N 2 2 222.336 0.994 10 0 BCAELP Cc1cc(NC[C@H]2COCC[NH2+]2)c(C#N)c[nH+]1 ZINC000399027850 353691027 /nfs/dbraw/zinc/69/10/27/353691027.db2.gz ICUSFLQESCYNKQ-NSHDSACASA-N 2 2 232.287 0.084 10 0 BCAELP Cn1c2ccccc2[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC000165841498 353739100 /nfs/dbraw/zinc/73/91/00/353739100.db2.gz UNLIXENTTLEEGB-JTQLQIEISA-N 2 2 246.314 0.737 10 0 BCAELP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000334683755 354429618 /nfs/dbraw/zinc/42/96/18/354429618.db2.gz ISTMSOKSCJISBF-MNOVXSKESA-N 2 2 248.330 0.613 10 0 BCAELP NC(=[NH2+])CCN(CC[NH+]1CCOCC1)C1CC1 ZINC000042548003 181186538 /nfs/dbraw/zinc/18/65/38/181186538.db2.gz OUEIKRDDJPDVKJ-UHFFFAOYSA-N 2 2 240.351 0.109 10 0 BCAELP C[C@H](C[NH3+])C[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000420216836 192193392 /nfs/dbraw/zinc/19/33/92/192193392.db2.gz NCKUUPLQLSDJQO-MRVPVSSYSA-N 2 2 204.277 0.992 10 0 BCAELP NC(=O)[C@@H]([NH3+])CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062451433 181264944 /nfs/dbraw/zinc/26/49/44/181264944.db2.gz VTVKIEUBZYIIOW-TUAOUCFPSA-N 2 2 239.363 0.701 10 0 BCAELP NC(=O)[C@@H]([NH3+])CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062451433 181264946 /nfs/dbraw/zinc/26/49/46/181264946.db2.gz VTVKIEUBZYIIOW-TUAOUCFPSA-N 2 2 239.363 0.701 10 0 BCAELP NC(=O)[C@H]([NH3+])CC[NH+]1Cc2ccccc2C1 ZINC000062531228 181276712 /nfs/dbraw/zinc/27/67/12/181276712.db2.gz CDRWETSMZATTHM-LLVKDONJSA-N 2 2 219.288 0.205 10 0 BCAELP NC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042406232 181279406 /nfs/dbraw/zinc/27/94/06/181279406.db2.gz KSENNXRVJMCPPP-QJPTWQEYSA-N 2 2 239.363 0.986 10 0 BCAELP NC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042406232 181279408 /nfs/dbraw/zinc/27/94/08/181279408.db2.gz KSENNXRVJMCPPP-QJPTWQEYSA-N 2 2 239.363 0.986 10 0 BCAELP Cn1c[nH+]cc1-c1cnn2c1C[NH2+]CC2 ZINC000675076272 538510131 /nfs/dbraw/zinc/51/01/31/538510131.db2.gz MYVNXVVRKPTBSQ-UHFFFAOYSA-N 2 2 203.249 0.387 10 0 BCAELP Cn1nc(CC2=C[C@H]([NH3+])C[NH2+]C2)cc1Cl ZINC000675077686 538514102 /nfs/dbraw/zinc/51/41/02/538514102.db2.gz HFDWQOWFMJECFJ-QMMMGPOBSA-N 2 2 226.711 0.473 10 0 BCAELP CCc1nnc(CC2=C[C@@H]([NH3+])C[NH2+]C2)s1 ZINC000675077892 538515023 /nfs/dbraw/zinc/51/50/23/538515023.db2.gz JVTPJKKGSOTVKZ-MRVPVSSYSA-N 2 2 224.333 0.500 10 0 BCAELP Cc1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)nn1C ZINC000675078098 538515340 /nfs/dbraw/zinc/51/53/40/538515340.db2.gz MJTHZXPHMVSXCH-SNVBAGLBSA-N 2 2 206.293 0.128 10 0 BCAELP [NH3+][C@@H]1C=C(Cc2cccc(O)c2)C[NH2+]C1 ZINC000675077967 538515492 /nfs/dbraw/zinc/51/54/92/538515492.db2.gz LFCHDSNEYJXNSH-LLVKDONJSA-N 2 2 204.273 0.792 10 0 BCAELP Cc1cn(C)nc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675078836 538515895 /nfs/dbraw/zinc/51/58/95/538515895.db2.gz UQUDPNHSEOGJQO-JTQLQIEISA-N 2 2 206.293 0.128 10 0 BCAELP CCCn1ncnc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079026 538517209 /nfs/dbraw/zinc/51/72/09/538517209.db2.gz UZYLBDSUKHKRMG-VIFPVBQESA-N 2 2 207.281 0.002 10 0 BCAELP COc1cccnc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077508 538512031 /nfs/dbraw/zinc/51/20/31/538512031.db2.gz FSYNNHWSGIBCCA-SECBINFHSA-N 2 2 205.261 0.404 10 0 BCAELP Cn1c[nH+]cc1-c1cnnn1[C@@H]1CC[NH2+]C1 ZINC000685951551 538895095 /nfs/dbraw/zinc/89/50/95/538895095.db2.gz BDOXFDOPDVXHLU-MRVPVSSYSA-N 2 2 218.264 0.213 10 0 BCAELP C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000639938743 357944744 /nfs/dbraw/zinc/94/47/44/357944744.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1C[C@H](O)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000639938743 357944747 /nfs/dbraw/zinc/94/47/47/357944747.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1C[C@H](O)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000639938743 357944750 /nfs/dbraw/zinc/94/47/50/357944750.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 2 242.363 0.287 10 0 BCAELP C[C@@H]1C[C@H](O)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639938743 357944753 /nfs/dbraw/zinc/94/47/53/357944753.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 2 242.363 0.287 10 0 BCAELP C[N@@H+]1CCN(c2nc3ccccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000226622400 358341914 /nfs/dbraw/zinc/34/19/14/358341914.db2.gz PJQJTKRAGACAJB-JTQLQIEISA-N 2 2 245.330 0.642 10 0 BCAELP C[N@H+]1CCN(c2nc3ccccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000226622400 358341918 /nfs/dbraw/zinc/34/19/18/358341918.db2.gz PJQJTKRAGACAJB-JTQLQIEISA-N 2 2 245.330 0.642 10 0 BCAELP CCN(CC)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261554608 535434365 /nfs/dbraw/zinc/43/43/65/535434365.db2.gz PBPWCUOTAYTCKS-NSHDSACASA-N 2 2 241.379 0.914 10 0 BCAELP CCN(CC)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261554608 535434371 /nfs/dbraw/zinc/43/43/71/535434371.db2.gz PBPWCUOTAYTCKS-NSHDSACASA-N 2 2 241.379 0.914 10 0 BCAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309112640 491144900 /nfs/dbraw/zinc/14/49/00/491144900.db2.gz KFLNSOWVEPYIEK-KXNHARMFSA-N 2 2 212.337 0.830 10 0 BCAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000309112640 491144901 /nfs/dbraw/zinc/14/49/01/491144901.db2.gz KFLNSOWVEPYIEK-KXNHARMFSA-N 2 2 212.337 0.830 10 0 BCAELP COc1ccc([C@@H](O)C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000169676065 360856678 /nfs/dbraw/zinc/85/66/78/360856678.db2.gz ACYWPAFIBGIGSI-YPMHNXCESA-N 2 2 236.315 0.762 10 0 BCAELP COc1ccc([C@@H](O)C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000169676065 360856682 /nfs/dbraw/zinc/85/66/82/360856682.db2.gz ACYWPAFIBGIGSI-YPMHNXCESA-N 2 2 236.315 0.762 10 0 BCAELP [NH3+]C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000238585331 361159244 /nfs/dbraw/zinc/15/92/44/361159244.db2.gz YMXRADSUILMSEP-LLVKDONJSA-N 2 2 207.277 0.372 10 0 BCAELP OCC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000162895084 361369542 /nfs/dbraw/zinc/36/95/42/361369542.db2.gz RVIDUNGJWCFVOD-NSHDSACASA-N 2 2 209.293 0.587 10 0 BCAELP OCC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162895084 361369546 /nfs/dbraw/zinc/36/95/46/361369546.db2.gz RVIDUNGJWCFVOD-NSHDSACASA-N 2 2 209.293 0.587 10 0 BCAELP CCn1c(C)nnc1C[N@H+](C)CCOCC[NH3+] ZINC000629577850 361468276 /nfs/dbraw/zinc/46/82/76/361468276.db2.gz KCZJUGQARKSHFY-UHFFFAOYSA-N 2 2 241.339 0.014 10 0 BCAELP CCn1c(C)nnc1C[N@@H+](C)CCOCC[NH3+] ZINC000629577850 361468281 /nfs/dbraw/zinc/46/82/81/361468281.db2.gz KCZJUGQARKSHFY-UHFFFAOYSA-N 2 2 241.339 0.014 10 0 BCAELP C[C@@H]1CCSCC[N@@H+]1[C@H](C[NH3+])CO ZINC000306636901 361452816 /nfs/dbraw/zinc/45/28/16/361452816.db2.gz MAQUOQWIJQFKPF-RKDXNWHRSA-N 2 2 204.339 0.133 10 0 BCAELP C[C@@H]1CCSCC[N@H+]1[C@H](C[NH3+])CO ZINC000306636901 361452820 /nfs/dbraw/zinc/45/28/20/361452820.db2.gz MAQUOQWIJQFKPF-RKDXNWHRSA-N 2 2 204.339 0.133 10 0 BCAELP C[NH+]1CCC([NH2+]Cc2cnns2)CC1 ZINC000306639311 361591551 /nfs/dbraw/zinc/59/15/51/361591551.db2.gz COZNBFRKVSOEIP-UHFFFAOYSA-N 2 2 212.322 0.722 10 0 BCAELP CCCc1[nH+]ccn1C[C@H]([NH3+])C(=O)OC ZINC000069964560 541307920 /nfs/dbraw/zinc/30/79/20/541307920.db2.gz XCRMJDFGRHQMID-QMMMGPOBSA-N 2 2 211.265 0.336 10 0 BCAELP COCCOCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630359073 364078629 /nfs/dbraw/zinc/07/86/29/364078629.db2.gz KTUFGIONKJUSAE-NWDGAFQWSA-N 2 2 246.351 0.088 10 0 BCAELP COCCOCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630359073 364078631 /nfs/dbraw/zinc/07/86/31/364078631.db2.gz KTUFGIONKJUSAE-NWDGAFQWSA-N 2 2 246.351 0.088 10 0 BCAELP COC[C@H](C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+])OC ZINC000630367556 364084970 /nfs/dbraw/zinc/08/49/70/364084970.db2.gz NWPUUPFIAZOLNT-GRYCIOLGSA-N 2 2 246.351 0.086 10 0 BCAELP COC[C@H](C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+])OC ZINC000630367556 364084971 /nfs/dbraw/zinc/08/49/71/364084971.db2.gz NWPUUPFIAZOLNT-GRYCIOLGSA-N 2 2 246.351 0.086 10 0 BCAELP C[NH2+]CCOCCN(C)c1[nH+]cccc1OC ZINC000630529112 364216279 /nfs/dbraw/zinc/21/62/79/364216279.db2.gz QRSASWDREVSYNK-UHFFFAOYSA-N 2 2 239.319 0.762 10 0 BCAELP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000630576269 364274446 /nfs/dbraw/zinc/27/44/46/364274446.db2.gz XWTNLJBYVKZSAK-RKDXNWHRSA-N 2 2 246.318 0.394 10 0 BCAELP Cc1nc(N2C[C@H](C)[C@H](C[NH3+])C2)cc[nH+]1 ZINC000630552386 364246196 /nfs/dbraw/zinc/24/61/96/364246196.db2.gz FAIUQBZKGXAFEQ-WCBMZHEXSA-N 2 2 206.293 0.816 10 0 BCAELP [NH3+]CC1(C[NH+]2CCOCC2)CCOCC1 ZINC000052180670 181359258 /nfs/dbraw/zinc/35/92/58/181359258.db2.gz XEWYCYPSZQPMFS-UHFFFAOYSA-N 2 2 214.309 0.074 10 0 BCAELP [NH3+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000034826309 181360243 /nfs/dbraw/zinc/36/02/43/181360243.db2.gz HLGUEFXZWOLTFA-UHFFFAOYSA-N 3 2 219.332 0.939 10 0 BCAELP [NH3+]CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000042321797 181365581 /nfs/dbraw/zinc/36/55/81/181365581.db2.gz CQIFQCQFVYRTOF-UHFFFAOYSA-N 3 2 222.336 0.944 10 0 BCAELP [NH3+]CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818445 181366197 /nfs/dbraw/zinc/36/61/97/181366197.db2.gz AORMFUQQNARVMX-UHFFFAOYSA-N 2 2 248.330 0.075 10 0 BCAELP [NH3+]CCC(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000037045770 181369138 /nfs/dbraw/zinc/36/91/38/181369138.db2.gz CQFBBYHOWJVWFK-NXEZZACHSA-N 2 2 222.292 0.442 10 0 BCAELP [NH3+]CCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000037037778 181380839 /nfs/dbraw/zinc/38/08/39/181380839.db2.gz WWCCCBPZWZMRIW-UHFFFAOYSA-N 2 2 225.336 0.280 10 0 BCAELP [NH3+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040465001 181395701 /nfs/dbraw/zinc/39/57/01/181395701.db2.gz RVRQKBILOQZRIG-UHFFFAOYSA-N 2 2 230.271 0.561 10 0 BCAELP CCC[NH+](CCC)[C@@H]1C[NH2+]CC[C@H]1O ZINC000675060620 541464042 /nfs/dbraw/zinc/46/40/42/541464042.db2.gz JUXWMLDGMISOHT-GHMZBOCLSA-N 2 2 200.326 0.831 10 0 BCAELP [NH3+]C[C@@H]1CCCC[C@@H]1[NH+]1CCS(=O)CC1 ZINC000049691370 181428690 /nfs/dbraw/zinc/42/86/90/181428690.db2.gz ZENWQNSNERMUSP-QWRGUYRKSA-N 2 2 230.377 0.568 10 0 BCAELP C[C@@H](C[S@](C)=O)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950331 368171011 /nfs/dbraw/zinc/17/10/11/368171011.db2.gz OPDQXOUTJIWJFI-BFVZDQMLSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@@H](C[S@](C)=O)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000252950331 368171015 /nfs/dbraw/zinc/17/10/15/368171015.db2.gz OPDQXOUTJIWJFI-BFVZDQMLSA-N 2 2 218.366 0.437 10 0 BCAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000112173199 368867465 /nfs/dbraw/zinc/86/74/65/368867465.db2.gz RUOTUSKSKHOCMC-NXEZZACHSA-N 2 2 236.319 0.234 10 0 BCAELP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nn1C ZINC000631837411 369098433 /nfs/dbraw/zinc/09/84/33/369098433.db2.gz SASAHORIOYASRZ-ONGXEEELSA-N 2 2 222.336 0.755 10 0 BCAELP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nn1C ZINC000631837411 369098435 /nfs/dbraw/zinc/09/84/35/369098435.db2.gz SASAHORIOYASRZ-ONGXEEELSA-N 2 2 222.336 0.755 10 0 BCAELP [NH3+][C@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000091545175 181654377 /nfs/dbraw/zinc/65/43/77/181654377.db2.gz NYLCBFZGSLFINQ-UWVGGRQHSA-N 2 2 234.303 0.353 10 0 BCAELP [NH3+][C@H]1CCCC[C@@H]1[N@@H+]1CCNC(=O)CC1 ZINC000062101676 181640902 /nfs/dbraw/zinc/64/09/02/181640902.db2.gz YOGNLRCGSFXOAZ-UWVGGRQHSA-N 2 2 211.309 0.078 10 0 BCAELP [NH3+][C@H]1CCCC[C@@H]1[N@H+]1CCNC(=O)CC1 ZINC000062101676 181640904 /nfs/dbraw/zinc/64/09/04/181640904.db2.gz YOGNLRCGSFXOAZ-UWVGGRQHSA-N 2 2 211.309 0.078 10 0 BCAELP c1ccc(C[NH+]2CCN(C3=[NH+]CCN3)CC2)cc1 ZINC000306479268 372025072 /nfs/dbraw/zinc/02/50/72/372025072.db2.gz HXJUAMOIBNRDSU-UHFFFAOYSA-N 2 2 244.342 0.763 10 0 BCAELP [NH3+][C@H]1CC[N@H+](C[C@@H]2CSCCS2)C1 ZINC000229613809 372172699 /nfs/dbraw/zinc/17/26/99/372172699.db2.gz ZSWFRZWHBHBUFC-DTWKUNHWSA-N 2 2 218.391 0.868 10 0 BCAELP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CSCCS2)C1 ZINC000229613809 372172706 /nfs/dbraw/zinc/17/27/06/372172706.db2.gz ZSWFRZWHBHBUFC-DTWKUNHWSA-N 2 2 218.391 0.868 10 0 BCAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000308537430 170036791 /nfs/dbraw/zinc/03/67/91/170036791.db2.gz SVYQIANPFADAAU-AXFHLTTASA-N 2 2 200.326 0.687 10 0 BCAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCO)[C@@H](C)C1 ZINC000308537432 170037262 /nfs/dbraw/zinc/03/72/62/170037262.db2.gz SVYQIANPFADAAU-DCAQKATOSA-N 2 2 200.326 0.687 10 0 BCAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCO)[C@@H](C)C1 ZINC000308537432 170037263 /nfs/dbraw/zinc/03/72/63/170037263.db2.gz SVYQIANPFADAAU-DCAQKATOSA-N 2 2 200.326 0.687 10 0 BCAELP O[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575149 183196023 /nfs/dbraw/zinc/19/60/23/183196023.db2.gz MGCFAKGCZNOBQE-NWDGAFQWSA-N 2 2 212.337 0.975 10 0 BCAELP O[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2)C1 ZINC000083286314 183207948 /nfs/dbraw/zinc/20/79/48/183207948.db2.gz ZXWGHKDWHJBPTJ-GFCCVEGCSA-N 2 2 206.289 0.453 10 0 BCAELP O[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2)C1 ZINC000083286314 183207949 /nfs/dbraw/zinc/20/79/49/183207949.db2.gz ZXWGHKDWHJBPTJ-GFCCVEGCSA-N 2 2 206.289 0.453 10 0 BCAELP O[C@H]1CC[NH2+]CC12C[NH+](Cc1ccccc1)C2 ZINC000082344270 183241195 /nfs/dbraw/zinc/24/11/95/183241195.db2.gz DAFYWFCXUWIZEE-ZDUSSCGKSA-N 2 2 232.327 0.843 10 0 BCAELP CCCN(CC[NH2+]CC[NH+](C)C)CC[NH+](C)C ZINC000053436172 169158888 /nfs/dbraw/zinc/15/88/88/169158888.db2.gz YQKNXKKARLENOZ-UHFFFAOYSA-N 3 2 244.427 0.411 10 0 BCAELP CCCNC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000054243786 169216715 /nfs/dbraw/zinc/21/67/15/169216715.db2.gz UMDGAGPRRWLMTB-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCCNC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000054243786 169216716 /nfs/dbraw/zinc/21/67/16/169216716.db2.gz UMDGAGPRRWLMTB-GFCCVEGCSA-N 2 2 241.379 0.977 10 0 BCAELP CCCOCCOC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000104240802 169308658 /nfs/dbraw/zinc/30/86/58/169308658.db2.gz YSEPBOJJUJVQHP-JTQLQIEISA-N 2 2 241.291 0.249 10 0 BCAELP CCC[C@@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062249158 169384130 /nfs/dbraw/zinc/38/41/30/169384130.db2.gz UTXPPVFLEAMXNX-JTQLQIEISA-N 2 2 208.309 0.826 10 0 BCAELP C[NH+](C)C[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000111229583 383843193 /nfs/dbraw/zinc/84/31/93/383843193.db2.gz UDMHQABANRNTQU-SNVBAGLBSA-N 2 2 224.308 0.172 10 0 BCAELP Cc1nc(N(C)CCOCC[NH3+])cc[nH+]1 ZINC000301043853 383878181 /nfs/dbraw/zinc/87/81/81/383878181.db2.gz LVYWFMKBQDPLLV-UHFFFAOYSA-N 2 2 210.281 0.197 10 0 BCAELP [NH3+][C@@H]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000085013773 384262352 /nfs/dbraw/zinc/26/23/52/384262352.db2.gz WKWLVLBZZRFSPS-JGVFFNPUSA-N 2 2 208.265 0.153 10 0 BCAELP Clc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)nn1 ZINC000095069847 384335561 /nfs/dbraw/zinc/33/55/61/384335561.db2.gz RUZQZHCTUPCZJU-QMMMGPOBSA-N 2 2 226.711 0.829 10 0 BCAELP COc1nccnc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000095071606 384341497 /nfs/dbraw/zinc/34/14/97/384341497.db2.gz QQPCQWCMXPWYCP-VIFPVBQESA-N 2 2 222.292 0.266 10 0 BCAELP COc1nccnc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000095071606 384341501 /nfs/dbraw/zinc/34/15/01/384341501.db2.gz QQPCQWCMXPWYCP-VIFPVBQESA-N 2 2 222.292 0.266 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000044530310 384341987 /nfs/dbraw/zinc/34/19/87/384341987.db2.gz SKAPQXUWXDBEIE-JTQLQIEISA-N 2 2 206.293 0.647 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000044530310 384341991 /nfs/dbraw/zinc/34/19/91/384341991.db2.gz SKAPQXUWXDBEIE-JTQLQIEISA-N 2 2 206.293 0.647 10 0 BCAELP [NH3+]C[C@H]1CCCN(c2[nH+]cccc2O)C1 ZINC000095072497 384343579 /nfs/dbraw/zinc/34/35/79/384343579.db2.gz GMCDEVQOIFCNNI-SECBINFHSA-N 2 2 207.277 0.962 10 0 BCAELP O=C(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095072799 384344943 /nfs/dbraw/zinc/34/49/43/384344943.db2.gz OVIOOQNWGRMSHE-SNVBAGLBSA-N 2 2 234.303 0.249 10 0 BCAELP CC(=O)N1CCC2(CC[N@H+](CC[NH3+])C2)CC1 ZINC000095082842 384360069 /nfs/dbraw/zinc/36/00/69/384360069.db2.gz DAYWKSGIWYNBQK-UHFFFAOYSA-N 2 2 225.336 0.280 10 0 BCAELP CC(=O)N1CCC2(CC[N@@H+](CC[NH3+])C2)CC1 ZINC000095082842 384360076 /nfs/dbraw/zinc/36/00/76/384360076.db2.gz DAYWKSGIWYNBQK-UHFFFAOYSA-N 2 2 225.336 0.280 10 0 BCAELP Cc1cnn(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000309798182 384612161 /nfs/dbraw/zinc/61/21/61/384612161.db2.gz QQDPWWQFPLJFKF-NEPJUHHUSA-N 2 2 222.336 0.731 10 0 BCAELP Cc1cnn(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000309798182 384612169 /nfs/dbraw/zinc/61/21/69/384612169.db2.gz QQDPWWQFPLJFKF-NEPJUHHUSA-N 2 2 222.336 0.731 10 0 BCAELP Cc1cc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000404075093 384893690 /nfs/dbraw/zinc/89/36/90/384893690.db2.gz QITAEWOLPFKQRS-GHMZBOCLSA-N 2 2 234.303 0.352 10 0 BCAELP Cc1c(C[NH2+]CCn2cc[nH+]c2)cnn1C ZINC000086552000 385026764 /nfs/dbraw/zinc/02/67/64/385026764.db2.gz RQIOBWQCOGTQQR-UHFFFAOYSA-N 2 2 219.292 0.715 10 0 BCAELP Cc1c(C[N@H+](C)C2CC[NH2+]CC2)cnn1C ZINC000335734808 385205234 /nfs/dbraw/zinc/20/52/34/385205234.db2.gz SCIDRRORWUBMTO-UHFFFAOYSA-N 2 2 222.336 0.912 10 0 BCAELP Cc1c(C[N@@H+](C)C2CC[NH2+]CC2)cnn1C ZINC000335734808 385205241 /nfs/dbraw/zinc/20/52/41/385205241.db2.gz SCIDRRORWUBMTO-UHFFFAOYSA-N 2 2 222.336 0.912 10 0 BCAELP Cc1cc(NCC(F)(F)C[NH3+])nc[nH+]1 ZINC000164927520 385333323 /nfs/dbraw/zinc/33/33/23/385333323.db2.gz APLFHNHPICQBIJ-UHFFFAOYSA-N 2 2 202.208 0.791 10 0 BCAELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179560206 385474751 /nfs/dbraw/zinc/47/47/51/385474751.db2.gz IREUJKZPULMREE-LBPRGKRZSA-N 2 2 238.335 0.298 10 0 BCAELP Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc(N)[nH+]1 ZINC000310095051 386096733 /nfs/dbraw/zinc/09/67/33/386096733.db2.gz HQVHIHLWJXYQQH-VXNVDRBHSA-N 2 2 236.323 0.149 10 0 BCAELP COC(=O)[C@@H]1CCCC[N@@H+]1CCC[NH3+] ZINC000125297923 386244354 /nfs/dbraw/zinc/24/43/54/386244354.db2.gz PLHPUFVPKXBZRT-VIFPVBQESA-N 2 2 200.282 0.363 10 0 BCAELP COC(=O)[C@@H]1CCCC[N@H+]1CCC[NH3+] ZINC000125297923 386244360 /nfs/dbraw/zinc/24/43/60/386244360.db2.gz PLHPUFVPKXBZRT-VIFPVBQESA-N 2 2 200.282 0.363 10 0 BCAELP C[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCC[NH2+]1 ZINC000136206946 386571469 /nfs/dbraw/zinc/57/14/69/386571469.db2.gz PQVZXVZGGQYQAF-CYBMUJFWSA-N 2 2 248.330 0.758 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCOC1)C2 ZINC000336760529 386734152 /nfs/dbraw/zinc/73/41/52/386734152.db2.gz MFIMBEAIKUMTCA-RKDXNWHRSA-N 2 2 207.277 0.646 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000336760529 386734159 /nfs/dbraw/zinc/73/41/59/386734159.db2.gz MFIMBEAIKUMTCA-RKDXNWHRSA-N 2 2 207.277 0.646 10 0 BCAELP CC[C@](C)(O)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000123570562 387586912 /nfs/dbraw/zinc/58/69/12/387586912.db2.gz RXQLWNOIPSFWHA-NEPJUHHUSA-N 2 2 230.352 0.410 10 0 BCAELP CC[C@](C)(O)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000123570562 387586915 /nfs/dbraw/zinc/58/69/15/387586915.db2.gz RXQLWNOIPSFWHA-NEPJUHHUSA-N 2 2 230.352 0.410 10 0 BCAELP COC[C@@H]1CC[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000293551327 388388819 /nfs/dbraw/zinc/38/88/19/388388819.db2.gz LERXNVXCBAWEJA-JTQLQIEISA-N 2 2 207.277 0.885 10 0 BCAELP COC[C@@H]1CC[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000293551327 388388823 /nfs/dbraw/zinc/38/88/23/388388823.db2.gz LERXNVXCBAWEJA-JTQLQIEISA-N 2 2 207.277 0.885 10 0 BCAELP [NH3+][C@@H](C(=O)N1CCn2cc[nH+]c2C1)C1CCC1 ZINC000335653868 388452987 /nfs/dbraw/zinc/45/29/87/388452987.db2.gz NTZNFOKANZFHAN-LLVKDONJSA-N 2 2 234.303 0.353 10 0 BCAELP Cc1cccc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000087613844 388709764 /nfs/dbraw/zinc/70/97/64/388709764.db2.gz PWHYCNXGLBZINM-NSHDSACASA-N 2 2 220.320 0.469 10 0 BCAELP Cc1cccc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000087613844 388709773 /nfs/dbraw/zinc/70/97/73/388709773.db2.gz PWHYCNXGLBZINM-NSHDSACASA-N 2 2 220.320 0.469 10 0 BCAELP COC[C@@H](C)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249188597 388711684 /nfs/dbraw/zinc/71/16/84/388711684.db2.gz MKTAZEZSUXLVAG-RYUDHWBXSA-N 2 2 230.352 0.531 10 0 BCAELP COC[C@@H](C)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000249188597 388711687 /nfs/dbraw/zinc/71/16/87/388711687.db2.gz MKTAZEZSUXLVAG-RYUDHWBXSA-N 2 2 230.352 0.531 10 0 BCAELP COC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344894 388716056 /nfs/dbraw/zinc/71/60/56/388716056.db2.gz DAIZKMVHNKJLOH-ZJUUUORDSA-N 2 2 214.309 0.609 10 0 BCAELP COC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226344894 388716061 /nfs/dbraw/zinc/71/60/61/388716061.db2.gz DAIZKMVHNKJLOH-ZJUUUORDSA-N 2 2 214.309 0.609 10 0 BCAELP CC[NH+]1CCN(c2nccnc2C[NH3+])CC1 ZINC000054376910 132364394 /nfs/dbraw/zinc/36/43/94/132364394.db2.gz ZUKPZNKHHYCTOQ-UHFFFAOYSA-N 2 2 221.308 0.077 10 0 BCAELP C[NH+]1CCN(c2nc(N)[nH+]c3ccccc32)CC1 ZINC000028760791 132334206 /nfs/dbraw/zinc/33/42/06/132334206.db2.gz GORRKRHEHKVTEB-UHFFFAOYSA-N 2 2 243.314 0.964 10 0 BCAELP Cc1cc[nH+]c(N2CC[NH+](CCO)CC2)c1N ZINC000036245170 132341385 /nfs/dbraw/zinc/34/13/85/132341385.db2.gz FMTBORZIKYLZOD-UHFFFAOYSA-N 2 2 236.319 0.087 10 0 BCAELP C[C@H]([NH3+])CC[NH+]1CCN(c2ncccn2)CC1 ZINC000037401922 132344174 /nfs/dbraw/zinc/34/41/74/132344174.db2.gz LSIGVYYZYHPKQS-NSHDSACASA-N 2 2 235.335 0.336 10 0 BCAELP [NH3+]CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037712849 132344997 /nfs/dbraw/zinc/34/49/97/132344997.db2.gz IWPDUMACKRZZQT-UHFFFAOYSA-N 3 2 220.320 0.599 10 0 BCAELP Cc1ccc(N2CCN([C@@H](C)C[NH3+])CC2)[nH+]c1 ZINC000058022125 132367950 /nfs/dbraw/zinc/36/79/50/132367950.db2.gz CQAVIQCEDPJQSX-LBPRGKRZSA-N 2 2 234.347 0.859 10 0 BCAELP CC(C)[NH2+]CC[NH+]1CCC(C)(O)CC1 ZINC000088023002 133545110 /nfs/dbraw/zinc/54/51/10/133545110.db2.gz NVPDGOWQVFCPNT-UHFFFAOYSA-N 2 2 200.326 0.831 10 0 BCAELP CC(C)[NH2+]CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252851931 135112843 /nfs/dbraw/zinc/11/28/43/135112843.db2.gz FYLULRACTGYZMK-SRVKXCTJSA-N 2 2 212.337 0.687 10 0 BCAELP CC(C)[NH2+]CC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252851931 135112844 /nfs/dbraw/zinc/11/28/44/135112844.db2.gz FYLULRACTGYZMK-SRVKXCTJSA-N 2 2 212.337 0.687 10 0 BCAELP Cc1cccc(N2CC[C@H](N3CC[NH2+]CC3)C2)[nH+]1 ZINC000257679669 135138919 /nfs/dbraw/zinc/13/89/19/135138919.db2.gz GQYOOUCZWPYJTH-ZDUSSCGKSA-N 2 2 246.358 0.874 10 0 BCAELP C[C@@H]1C(=O)N(C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257800677 135141991 /nfs/dbraw/zinc/14/19/91/135141991.db2.gz YLVIGKLJGVMZHT-GHMZBOCLSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257800677 135141992 /nfs/dbraw/zinc/14/19/92/135141992.db2.gz YLVIGKLJGVMZHT-GHMZBOCLSA-N 2 2 225.336 0.149 10 0 BCAELP C[C@@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261530640 135158378 /nfs/dbraw/zinc/15/83/78/135158378.db2.gz CXCGBJBXWCUJOQ-MRVPVSSYSA-N 2 2 210.281 0.760 10 0 BCAELP C[C@@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261530640 135158380 /nfs/dbraw/zinc/15/83/80/135158380.db2.gz CXCGBJBXWCUJOQ-MRVPVSSYSA-N 2 2 210.281 0.760 10 0 BCAELP C[C@H]1C[N@H+](CCc2cccnc2)C[C@H]1[NH3+] ZINC000261531224 135160134 /nfs/dbraw/zinc/16/01/34/135160134.db2.gz FTQSGMDAIISNIO-CMPLNLGQSA-N 2 2 205.305 0.903 10 0 BCAELP C[C@H]1C[N@@H+](CCc2cccnc2)C[C@H]1[NH3+] ZINC000261531224 135160135 /nfs/dbraw/zinc/16/01/35/135160135.db2.gz FTQSGMDAIISNIO-CMPLNLGQSA-N 2 2 205.305 0.903 10 0 BCAELP C[C@H]1C[N@H+](Cc2noc(C[NH3+])n2)C[C@H]1C ZINC000261532030 135161593 /nfs/dbraw/zinc/16/15/93/135161593.db2.gz IURQOPYQWAZTNB-OCAPTIKFSA-N 2 2 210.281 0.616 10 0 BCAELP C[C@H]1C[N@@H+](Cc2noc(C[NH3+])n2)C[C@H]1C ZINC000261532030 135161594 /nfs/dbraw/zinc/16/15/94/135161594.db2.gz IURQOPYQWAZTNB-OCAPTIKFSA-N 2 2 210.281 0.616 10 0 BCAELP CCOC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261532808 135163246 /nfs/dbraw/zinc/16/32/46/135163246.db2.gz KFWHREVUEYZEQP-GUBZILKMSA-N 2 2 212.293 0.219 10 0 BCAELP CCOC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261532808 135163247 /nfs/dbraw/zinc/16/32/47/135163247.db2.gz KFWHREVUEYZEQP-GUBZILKMSA-N 2 2 212.293 0.219 10 0 BCAELP Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)n1 ZINC000261534307 135167053 /nfs/dbraw/zinc/16/70/53/135167053.db2.gz PRCWMBQKJHCJSI-WCBMZHEXSA-N 2 2 221.304 0.875 10 0 BCAELP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000261535197 135168787 /nfs/dbraw/zinc/16/87/87/135168787.db2.gz WDTZJAAUROPZJX-WOPDTQHZSA-N 2 2 228.336 0.068 10 0 BCAELP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](CO)O1 ZINC000261535197 135168789 /nfs/dbraw/zinc/16/87/89/135168789.db2.gz WDTZJAAUROPZJX-WOPDTQHZSA-N 2 2 228.336 0.068 10 0 BCAELP Cc1c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cnn1C ZINC000261535135 135169010 /nfs/dbraw/zinc/16/90/10/135169010.db2.gz NVLROEAPCACTIN-GZMMTYOYSA-N 2 2 208.309 0.508 10 0 BCAELP Cc1c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cnn1C ZINC000261535135 135169012 /nfs/dbraw/zinc/16/90/12/135169012.db2.gz NVLROEAPCACTIN-GZMMTYOYSA-N 2 2 208.309 0.508 10 0 BCAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000261535709 135170664 /nfs/dbraw/zinc/17/06/64/135170664.db2.gz PCTBBXNRDQHOTE-KOLCDFICSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000261535709 135170666 /nfs/dbraw/zinc/17/06/66/135170666.db2.gz PCTBBXNRDQHOTE-KOLCDFICSA-N 2 2 208.309 0.904 10 0 BCAELP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549010 135187384 /nfs/dbraw/zinc/18/73/84/135187384.db2.gz KCWUAZKQLNJFHR-KOLCDFICSA-N 2 2 239.363 0.713 10 0 BCAELP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261549010 135187385 /nfs/dbraw/zinc/18/73/85/135187385.db2.gz KCWUAZKQLNJFHR-KOLCDFICSA-N 2 2 239.363 0.713 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@@H+]1CCOCC12CC2 ZINC000261555774 135195232 /nfs/dbraw/zinc/19/52/32/135195232.db2.gz VGVRLGJPCJOUBG-NSHDSACASA-N 2 2 210.321 0.851 10 0 BCAELP C([C@H]1CCC[NH2+]C1)[N@H+]1CCOCC12CC2 ZINC000261555774 135195233 /nfs/dbraw/zinc/19/52/33/135195233.db2.gz VGVRLGJPCJOUBG-NSHDSACASA-N 2 2 210.321 0.851 10 0 BCAELP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261558822 135199350 /nfs/dbraw/zinc/19/93/50/135199350.db2.gz SRXHRUMHTLSAHV-SNVBAGLBSA-N 2 2 241.379 0.960 10 0 BCAELP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261558822 135199351 /nfs/dbraw/zinc/19/93/51/135199351.db2.gz SRXHRUMHTLSAHV-SNVBAGLBSA-N 2 2 241.379 0.960 10 0 BCAELP Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000261561146 135202064 /nfs/dbraw/zinc/20/20/64/135202064.db2.gz AJZSYSGNHQGHFP-QWRGUYRKSA-N 2 2 218.304 0.831 10 0 BCAELP Cn1cc[nH+]c1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261561510 135202638 /nfs/dbraw/zinc/20/26/38/135202638.db2.gz AQOBSESGAZNFCU-SNVBAGLBSA-N 2 2 222.336 0.979 10 0 BCAELP Cc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000261562070 135203720 /nfs/dbraw/zinc/20/37/20/135203720.db2.gz VZHSIHWXEWWYME-YPMHNXCESA-N 2 2 234.347 0.912 10 0 BCAELP Cc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000261562070 135203721 /nfs/dbraw/zinc/20/37/21/135203721.db2.gz VZHSIHWXEWWYME-YPMHNXCESA-N 2 2 234.347 0.912 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC000261571834 135214035 /nfs/dbraw/zinc/21/40/35/135214035.db2.gz LILGWQKLFSSYKK-SDDRHHMPSA-N 2 2 248.330 0.469 10 0 BCAELP Cn1ccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261573362 135214521 /nfs/dbraw/zinc/21/45/21/135214521.db2.gz IRWWEWJGNOEXGA-AXFHLTTASA-N 2 2 220.320 0.589 10 0 BCAELP Cn1ccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261573362 135214522 /nfs/dbraw/zinc/21/45/22/135214522.db2.gz IRWWEWJGNOEXGA-AXFHLTTASA-N 2 2 220.320 0.589 10 0 BCAELP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261583544 135224261 /nfs/dbraw/zinc/22/42/61/135224261.db2.gz PCWQDMPOHSKHAD-CPCISQLKSA-N 2 2 208.309 0.806 10 0 BCAELP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261583544 135224263 /nfs/dbraw/zinc/22/42/63/135224263.db2.gz PCWQDMPOHSKHAD-CPCISQLKSA-N 2 2 208.309 0.806 10 0 BCAELP Cn1nccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261584553 135226294 /nfs/dbraw/zinc/22/62/94/135226294.db2.gz PYGJFRMCQHWHST-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP Cn1nccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261584553 135226297 /nfs/dbraw/zinc/22/62/97/135226297.db2.gz PYGJFRMCQHWHST-LLVKDONJSA-N 2 2 222.336 0.979 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cocn3)C[C@@H]12 ZINC000261592819 135233372 /nfs/dbraw/zinc/23/33/72/135233372.db2.gz WDWOIMVYPQWKNL-JMJZKYOTSA-N 2 2 207.277 0.844 10 0 BCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cocn3)C[C@@H]12 ZINC000261592819 135233374 /nfs/dbraw/zinc/23/33/74/135233374.db2.gz WDWOIMVYPQWKNL-JMJZKYOTSA-N 2 2 207.277 0.844 10 0 BCAELP C[NH2+]C1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000261594306 135234543 /nfs/dbraw/zinc/23/45/43/135234543.db2.gz XLXJQBUFOQZOGZ-UHFFFAOYSA-N 2 2 222.336 0.912 10 0 BCAELP CN(C)c1nccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261804743 135254159 /nfs/dbraw/zinc/25/41/59/135254159.db2.gz WGIUPLJEOMCLMD-ZDUSSCGKSA-N 2 2 249.362 0.713 10 0 BCAELP CN(C)c1nccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261804743 135254160 /nfs/dbraw/zinc/25/41/60/135254160.db2.gz WGIUPLJEOMCLMD-ZDUSSCGKSA-N 2 2 249.362 0.713 10 0 BCAELP C[C@@]1(C[N@@H+]2CCc3cncnc3C2)CC[NH2+]C1 ZINC000261895967 135260598 /nfs/dbraw/zinc/26/05/98/135260598.db2.gz UXKKFJALECIGHE-CYBMUJFWSA-N 2 2 232.331 0.834 10 0 BCAELP C[C@@]1(C[N@H+]2CCc3cncnc3C2)CC[NH2+]C1 ZINC000261895967 135260600 /nfs/dbraw/zinc/26/06/00/135260600.db2.gz UXKKFJALECIGHE-CYBMUJFWSA-N 2 2 232.331 0.834 10 0 BCAELP CS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261975324 135268747 /nfs/dbraw/zinc/26/87/47/135268747.db2.gz QUEZMMUCUORPDB-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261975324 135268748 /nfs/dbraw/zinc/26/87/48/135268748.db2.gz QUEZMMUCUORPDB-GHMZBOCLSA-N 2 2 246.376 0.105 10 0 BCAELP Cn1nccc1C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262095440 135278451 /nfs/dbraw/zinc/27/84/51/135278451.db2.gz VCOGOXDRWAMDBL-LBPRGKRZSA-N 2 2 222.336 0.852 10 0 BCAELP Cn1nccc1C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000262095440 135278452 /nfs/dbraw/zinc/27/84/52/135278452.db2.gz VCOGOXDRWAMDBL-LBPRGKRZSA-N 2 2 222.336 0.852 10 0 BCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1F ZINC000262165094 135282979 /nfs/dbraw/zinc/28/29/79/135282979.db2.gz UFYOBXYODPNSKO-CMPLNLGQSA-N 2 2 224.279 0.496 10 0 BCAELP CC(C)[NH2+]CC[N@H+](C)CC1CC(O)C1 ZINC000084452831 135315900 /nfs/dbraw/zinc/31/59/00/135315900.db2.gz IQPZLXKKBATBRN-UHFFFAOYSA-N 2 2 200.326 0.687 10 0 BCAELP CC(C)[NH2+]CC[N@@H+](C)CC1CC(O)C1 ZINC000084452831 135315902 /nfs/dbraw/zinc/31/59/02/135315902.db2.gz IQPZLXKKBATBRN-UHFFFAOYSA-N 2 2 200.326 0.687 10 0 BCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000263229047 135341081 /nfs/dbraw/zinc/34/10/81/135341081.db2.gz NEBSPVJOBZDUEM-CABZTGNLSA-N 2 2 242.269 0.635 10 0 BCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)cccc1F ZINC000263246639 135342729 /nfs/dbraw/zinc/34/27/29/135342729.db2.gz PIVJYVNCNRXSDA-PELKAZGASA-N 2 2 242.269 0.635 10 0 BCAELP C[C@H]1OCC[C@]1(C[NH3+])[NH+]1CCSCC1 ZINC000134405437 397951457 /nfs/dbraw/zinc/95/14/57/397951457.db2.gz BPPICVYOSSFUFD-NXEZZACHSA-N 2 2 216.350 0.542 10 0 BCAELP c1cn(CC[NH2+]C[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000087646821 322886274 /nfs/dbraw/zinc/88/62/74/322886274.db2.gz ZHQULPPKEYJWAO-NSHDSACASA-N 3 2 208.309 0.472 10 0 BCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422230 167316770 /nfs/dbraw/zinc/31/67/70/167316770.db2.gz GIXQTGFVOMJVBB-WDEREUQCSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422230 167316774 /nfs/dbraw/zinc/31/67/74/167316774.db2.gz GIXQTGFVOMJVBB-WDEREUQCSA-N 2 2 248.392 0.479 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCCc1[nH]cc[nH+]1 ZINC000125145282 410313940 /nfs/dbraw/zinc/31/39/40/410313940.db2.gz VXZAFNIGBHSKAE-SECBINFHSA-N 2 2 224.308 0.442 10 0 BCAELP CC[NH+](CC)CCC[NH2+]CC(=O)NC(C)C ZINC000020052100 169774086 /nfs/dbraw/zinc/77/40/86/169774086.db2.gz WXOULBJCYIOOFA-UHFFFAOYSA-N 2 2 229.368 0.833 10 0 BCAELP Cc1cc(NCCC2(C[NH3+])CC2)nc[nH+]1 ZINC000395921862 410869085 /nfs/dbraw/zinc/86/90/85/410869085.db2.gz YDCNBVSTHCACAR-UHFFFAOYSA-N 2 2 206.293 0.748 10 0 BCAELP CC(C)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)C1 ZINC000045655536 167024900 /nfs/dbraw/zinc/02/49/00/167024900.db2.gz SESDTYKJSOGAML-NEPJUHHUSA-N 2 2 211.353 0.763 10 0 BCAELP CC(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C2)C1 ZINC000045655536 167024902 /nfs/dbraw/zinc/02/49/02/167024902.db2.gz SESDTYKJSOGAML-NEPJUHHUSA-N 2 2 211.353 0.763 10 0 BCAELP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C2)C1 ZINC000045655536 167024904 /nfs/dbraw/zinc/02/49/04/167024904.db2.gz SESDTYKJSOGAML-NEPJUHHUSA-N 2 2 211.353 0.763 10 0 BCAELP CC(C)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C2)C1 ZINC000045655536 167024905 /nfs/dbraw/zinc/02/49/05/167024905.db2.gz SESDTYKJSOGAML-NEPJUHHUSA-N 2 2 211.353 0.763 10 0 BCAELP [NH3+]C1CCC(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000041120052 410906759 /nfs/dbraw/zinc/90/67/59/410906759.db2.gz LNMXOFNRDBLSRI-UHFFFAOYSA-N 2 2 236.319 0.517 10 0 BCAELP CC(C)OCCC[N@@H+]1C[C@H](C)O[C@@H](C[NH3+])C1 ZINC000071534947 167216311 /nfs/dbraw/zinc/21/63/11/167216311.db2.gz GVYQDEMPIMOBNA-RYUDHWBXSA-N 2 2 230.352 0.850 10 0 BCAELP CC(C)OCCC[N@H+]1C[C@H](C)O[C@@H](C[NH3+])C1 ZINC000071534947 167216315 /nfs/dbraw/zinc/21/63/15/167216315.db2.gz GVYQDEMPIMOBNA-RYUDHWBXSA-N 2 2 230.352 0.850 10 0 BCAELP CC(C)[C@@H](C[NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000062252395 167395698 /nfs/dbraw/zinc/39/56/98/167395698.db2.gz NKJRZYSHSDTZJE-SNVBAGLBSA-N 2 2 238.335 0.609 10 0 BCAELP COc1ccc[nH+]c1N1CC[C@H](C[NH3+])C1 ZINC000107203718 411132833 /nfs/dbraw/zinc/13/28/33/411132833.db2.gz PZQVKYHNPIGYCR-SECBINFHSA-N 2 2 207.277 0.875 10 0 BCAELP COc1ccc[nH+]c1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000128505660 411101994 /nfs/dbraw/zinc/10/19/94/411101994.db2.gz ZMWSGAUXKUNJRY-KOLCDFICSA-N 2 2 237.303 0.643 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)NCc1[nH]cc[nH+]1 ZINC000129092535 411221269 /nfs/dbraw/zinc/22/12/69/411221269.db2.gz NKHVBSHUWBBODX-MRVPVSSYSA-N 2 2 210.281 0.399 10 0 BCAELP CC(C)[C@@H]([NH3+])CC(=O)NCc1[nH]cc[nH+]1 ZINC000129092769 411221457 /nfs/dbraw/zinc/22/14/57/411221457.db2.gz NKHVBSHUWBBODX-QMMMGPOBSA-N 2 2 210.281 0.399 10 0 BCAELP Nc1cc([C@H]2CC[N@H+](CCO)C2)cc[nH+]1 ZINC000616613621 411280187 /nfs/dbraw/zinc/28/01/87/411280187.db2.gz NNMNQWSOGAMZEC-JTQLQIEISA-N 2 2 207.277 0.445 10 0 BCAELP Nc1cc([C@H]2CC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616613621 411280191 /nfs/dbraw/zinc/28/01/91/411280191.db2.gz NNMNQWSOGAMZEC-JTQLQIEISA-N 2 2 207.277 0.445 10 0 BCAELP Nc1ccn([C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000616621218 411287243 /nfs/dbraw/zinc/28/72/43/411287243.db2.gz QGBHDFCUBWFCIM-SECBINFHSA-N 2 2 209.297 0.061 10 0 BCAELP Nc1ccn([C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000616621218 411287244 /nfs/dbraw/zinc/28/72/44/411287244.db2.gz QGBHDFCUBWFCIM-SECBINFHSA-N 2 2 209.297 0.061 10 0 BCAELP Nc1n[nH]cc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616629960 411287453 /nfs/dbraw/zinc/28/74/53/411287453.db2.gz XALHRZCXCPIOJS-VIFPVBQESA-N 2 2 223.324 0.520 10 0 BCAELP Nc1n[nH]cc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616629960 411287455 /nfs/dbraw/zinc/28/74/55/411287455.db2.gz XALHRZCXCPIOJS-VIFPVBQESA-N 2 2 223.324 0.520 10 0 BCAELP Nc1cc([C@@H]2CCOCCN2CC[NH3+])cc[nH+]1 ZINC000616598733 411287628 /nfs/dbraw/zinc/28/76/28/411287628.db2.gz UVSQJCTXLPQZNC-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP Nc1cc([C@@H]2CCN(CC[NH3+])CCO2)cc[nH+]1 ZINC000616665199 411287852 /nfs/dbraw/zinc/28/78/52/411287852.db2.gz AINXCJCJGCDYDU-NSHDSACASA-N 2 2 236.319 0.386 10 0 BCAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000308537430 170036789 /nfs/dbraw/zinc/03/67/89/170036789.db2.gz SVYQIANPFADAAU-AXFHLTTASA-N 2 2 200.326 0.687 10 0 BCAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000308537438 170039359 /nfs/dbraw/zinc/03/93/59/170039359.db2.gz SVYQIANPFADAAU-HBNTYKKESA-N 2 2 200.326 0.687 10 0 BCAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000308537438 170039360 /nfs/dbraw/zinc/03/93/60/170039360.db2.gz SVYQIANPFADAAU-HBNTYKKESA-N 2 2 200.326 0.687 10 0 BCAELP CCNC(=O)CC[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000051759205 170052681 /nfs/dbraw/zinc/05/26/81/170052681.db2.gz HBAMIEWSOLJAJC-LBPRGKRZSA-N 2 2 241.379 0.977 10 0 BCAELP CC[NH2+]C1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000049303557 170108093 /nfs/dbraw/zinc/10/80/93/170108093.db2.gz VYJFMKYJPHFTHG-UHFFFAOYSA-N 2 2 239.363 0.681 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC(C)C)CC1 ZINC000037536996 170109091 /nfs/dbraw/zinc/10/90/91/170109091.db2.gz YCGLLUPPJIXGNN-NSHDSACASA-N 2 2 241.379 0.973 10 0 BCAELP CC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000037469357 170109687 /nfs/dbraw/zinc/10/96/87/170109687.db2.gz ZQQCMLOIWCXJOB-JTQLQIEISA-N 2 2 227.352 0.537 10 0 BCAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[NH+](C)C)OCCO2 ZINC000043816102 170150332 /nfs/dbraw/zinc/15/03/32/170150332.db2.gz KMZDAHAGUNFWIN-GHMZBOCLSA-N 2 2 228.336 0.822 10 0 BCAELP CCOC(=O)[C@H]([NH3+])Cc1c[nH+]cn1CC ZINC000044365855 170276029 /nfs/dbraw/zinc/27/60/29/170276029.db2.gz MGWQWEOZISMBPF-SECBINFHSA-N 2 2 211.265 0.336 10 0 BCAELP C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C[N@@H+]1C1CC1 ZINC000657813148 411604187 /nfs/dbraw/zinc/60/41/87/411604187.db2.gz RGRYAMOYZRPHGJ-XKGSQUFQSA-N 2 2 224.348 0.972 10 0 BCAELP C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)C[N@H+]1C1CC1 ZINC000657813148 411604189 /nfs/dbraw/zinc/60/41/89/411604189.db2.gz RGRYAMOYZRPHGJ-XKGSQUFQSA-N 2 2 224.348 0.972 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133485099 411774340 /nfs/dbraw/zinc/77/43/40/411774340.db2.gz IANHZDBNQYWRKH-LBPRGKRZSA-N 2 2 236.319 0.900 10 0 BCAELP Nc1n[nH]cc1C1CC[NH+](CC[NH3+])CC1 ZINC000616619101 411975856 /nfs/dbraw/zinc/97/58/56/411975856.db2.gz CJGYAADTGPUYDJ-UHFFFAOYSA-N 2 2 209.297 0.130 10 0 BCAELP Nc1n[nH]cc1[C@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616624488 411977177 /nfs/dbraw/zinc/97/71/77/411977177.db2.gz OWFPOYBNXXOGIT-SNVBAGLBSA-N 2 2 223.324 0.868 10 0 BCAELP Nc1n[nH]cc1[C@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616624488 411977179 /nfs/dbraw/zinc/97/71/79/411977179.db2.gz OWFPOYBNXXOGIT-SNVBAGLBSA-N 2 2 223.324 0.868 10 0 BCAELP CC[C@@H]1[NH2+]CCN(CCn2cc[nH+]c2C)C1=O ZINC000104134537 171146325 /nfs/dbraw/zinc/14/63/25/171146325.db2.gz HQVHJWOGDXOWEP-NSHDSACASA-N 2 2 236.319 0.402 10 0 BCAELP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)c2ccccc21 ZINC000665228899 412166162 /nfs/dbraw/zinc/16/61/62/412166162.db2.gz KFMJROIAFGJNQK-UTUOFQBUSA-N 2 2 231.299 0.609 10 0 BCAELP [NH3+]CC[N@@H+]1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616605008 412299016 /nfs/dbraw/zinc/29/90/16/412299016.db2.gz VPVPVISZMWUTCS-JTQLQIEISA-N 2 2 223.324 0.635 10 0 BCAELP [NH3+]CC[N@H+]1CCCC[C@H](Nc2cc[nH]n2)C1 ZINC000616605008 412299018 /nfs/dbraw/zinc/29/90/18/412299018.db2.gz VPVPVISZMWUTCS-JTQLQIEISA-N 2 2 223.324 0.635 10 0 BCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000105896462 172029707 /nfs/dbraw/zinc/02/97/07/172029707.db2.gz OEDAOLKKGPMTOS-JTQLQIEISA-N 2 2 236.319 0.568 10 0 BCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000105896462 172029708 /nfs/dbraw/zinc/02/97/08/172029708.db2.gz OEDAOLKKGPMTOS-JTQLQIEISA-N 2 2 236.319 0.568 10 0 BCAELP CCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000328172312 487624751 /nfs/dbraw/zinc/62/47/51/487624751.db2.gz KKENNVAXVDAPFD-SNVBAGLBSA-N 2 2 200.326 0.831 10 0 BCAELP CCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000328172312 487624755 /nfs/dbraw/zinc/62/47/55/487624755.db2.gz KKENNVAXVDAPFD-SNVBAGLBSA-N 2 2 200.326 0.831 10 0 BCAELP C[NH+]1CCN(CCNc2ccc(N)c[nH+]2)CC1 ZINC000037759549 173081403 /nfs/dbraw/zinc/08/14/03/173081403.db2.gz UPFVXXBUIFZEGN-UHFFFAOYSA-N 2 2 235.335 0.323 10 0 BCAELP CN1CC[NH+](Cc2cccc(C(N)=[NH2+])c2)CC1 ZINC000019433794 173086409 /nfs/dbraw/zinc/08/64/09/173086409.db2.gz DSRJXNCKFZYKQE-UHFFFAOYSA-N 2 2 232.331 0.718 10 0 BCAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000070823408 173111825 /nfs/dbraw/zinc/11/18/25/173111825.db2.gz IKDZFJZFLFTRCL-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000070823408 173111827 /nfs/dbraw/zinc/11/18/27/173111827.db2.gz IKDZFJZFLFTRCL-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000070823408 173111829 /nfs/dbraw/zinc/11/18/29/173111829.db2.gz IKDZFJZFLFTRCL-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000070823408 173111831 /nfs/dbraw/zinc/11/18/31/173111831.db2.gz IKDZFJZFLFTRCL-CHWSQXEVSA-N 3 2 225.380 0.870 10 0 BCAELP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000061988732 173124103 /nfs/dbraw/zinc/12/41/03/173124103.db2.gz UBERYVYYUVJVDP-VQXHTEKXSA-N 2 2 225.336 0.324 10 0 BCAELP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000061988732 173124105 /nfs/dbraw/zinc/12/41/05/173124105.db2.gz UBERYVYYUVJVDP-VQXHTEKXSA-N 2 2 225.336 0.324 10 0 BCAELP C[N@@H+]1CC[C@@H](NCC[NH+]2CCCCC2)C1 ZINC000061989658 173124651 /nfs/dbraw/zinc/12/46/51/173124651.db2.gz YIOVJBWBEOSTSD-GFCCVEGCSA-N 2 2 211.353 0.766 10 0 BCAELP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCC2)C1 ZINC000061989658 173124653 /nfs/dbraw/zinc/12/46/53/173124653.db2.gz YIOVJBWBEOSTSD-GFCCVEGCSA-N 2 2 211.353 0.766 10 0 BCAELP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000042546870 173124758 /nfs/dbraw/zinc/12/47/58/173124758.db2.gz BFVMUIRCRPYGNC-GFCCVEGCSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000042546870 173124759 /nfs/dbraw/zinc/12/47/59/173124759.db2.gz BFVMUIRCRPYGNC-GFCCVEGCSA-N 2 2 205.305 0.918 10 0 BCAELP C[N@@H+]1CC[C@@](C[NH3+])(N2CCCSCC2)C1 ZINC000061990440 173136575 /nfs/dbraw/zinc/13/65/75/173136575.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 2 2 229.393 0.458 10 0 BCAELP C[N@H+]1CC[C@@](C[NH3+])(N2CCCSCC2)C1 ZINC000061990440 173136577 /nfs/dbraw/zinc/13/65/77/173136577.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 2 2 229.393 0.458 10 0 BCAELP CN1CC[C@@](C[NH3+])([N@@H+]2CCCSCC2)C1 ZINC000061990440 173136579 /nfs/dbraw/zinc/13/65/79/173136579.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 2 2 229.393 0.458 10 0 BCAELP CN1CC[C@@](C[NH3+])([N@H+]2CCCSCC2)C1 ZINC000061990440 173136581 /nfs/dbraw/zinc/13/65/81/173136581.db2.gz QFVROMAWOHBRFE-NSHDSACASA-N 2 2 229.393 0.458 10 0 BCAELP CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042396240 173299117 /nfs/dbraw/zinc/29/91/17/173299117.db2.gz JDSSYAFEEJGTQU-TUAOUCFPSA-N 2 2 239.363 0.857 10 0 BCAELP CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042396240 173299118 /nfs/dbraw/zinc/29/91/18/173299118.db2.gz JDSSYAFEEJGTQU-TUAOUCFPSA-N 2 2 239.363 0.857 10 0 BCAELP CNC(=O)[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)C ZINC000125022036 173305461 /nfs/dbraw/zinc/30/54/61/173305461.db2.gz WAHQDIMISSGRQB-SECBINFHSA-N 2 2 210.281 0.270 10 0 BCAELP C[NH2+]C1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000037485130 173323351 /nfs/dbraw/zinc/32/33/51/173323351.db2.gz VIAOTWDHEZTKLE-LLVKDONJSA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+]C1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037485130 173323353 /nfs/dbraw/zinc/32/33/53/173323353.db2.gz VIAOTWDHEZTKLE-LLVKDONJSA-N 3 2 211.353 0.622 10 0 BCAELP C[NH2+]C[C@@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000019864270 173365527 /nfs/dbraw/zinc/36/55/27/173365527.db2.gz AUQGFHJIHMUIQP-SNVBAGLBSA-N 2 2 219.288 0.925 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCC(C)C)C1 ZINC000071147296 173369810 /nfs/dbraw/zinc/36/98/10/173369810.db2.gz ZCKQXNAWUWOGNV-LBPRGKRZSA-N 2 2 241.379 0.690 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCC(C)C)C1 ZINC000071147296 173369811 /nfs/dbraw/zinc/36/98/11/173369811.db2.gz ZCKQXNAWUWOGNV-LBPRGKRZSA-N 2 2 241.379 0.690 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000071145437 173370485 /nfs/dbraw/zinc/37/04/85/173370485.db2.gz XVKNKNLDEKWARO-VIFPVBQESA-N 2 2 238.287 0.387 10 0 BCAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000071145437 173370486 /nfs/dbraw/zinc/37/04/86/173370486.db2.gz XVKNKNLDEKWARO-VIFPVBQESA-N 2 2 238.287 0.387 10 0 BCAELP C[NH2+]C[C@H](C(C)C)N1CCn2cc[nH+]c2C1 ZINC000062325616 173373621 /nfs/dbraw/zinc/37/36/21/173373621.db2.gz FKJVNCRORQXPLV-LLVKDONJSA-N 2 2 222.336 0.943 10 0 BCAELP C[NH2+]C[C@]1(C[N@H+](C)CCC[NH+](C)C)CCOC1 ZINC000104200963 173383858 /nfs/dbraw/zinc/38/38/58/173383858.db2.gz JOHVHJQQNMZRNT-ZDUSSCGKSA-N 3 2 243.395 0.496 10 0 BCAELP C[NH2+]C[C@]1(C[N@@H+](C)CCC[NH+](C)C)CCOC1 ZINC000104200963 173383859 /nfs/dbraw/zinc/38/38/59/173383859.db2.gz JOHVHJQQNMZRNT-ZDUSSCGKSA-N 3 2 243.395 0.496 10 0 BCAELP COC1CC[NH+]([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305435 174030547 /nfs/dbraw/zinc/03/05/47/174030547.db2.gz RZUNKHXYYRBPSP-WDEREUQCSA-N 2 2 214.309 0.213 10 0 BCAELP COC1CC[NH+]([C@H]2COCC[C@H]2[NH3+])CC1 ZINC000036305442 174032454 /nfs/dbraw/zinc/03/24/54/174032454.db2.gz RZUNKHXYYRBPSP-MNOVXSKESA-N 2 2 214.309 0.213 10 0 BCAELP COCCC[N@H+](CCOC)[C@@]1(C[NH3+])CCOC1 ZINC000104072112 174225952 /nfs/dbraw/zinc/22/59/52/174225952.db2.gz BQVLGNMTBMQBKY-GFCCVEGCSA-N 2 2 246.351 0.089 10 0 BCAELP COCCC[N@@H+](CCOC)[C@@]1(C[NH3+])CCOC1 ZINC000104072112 174225955 /nfs/dbraw/zinc/22/59/55/174225955.db2.gz BQVLGNMTBMQBKY-GFCCVEGCSA-N 2 2 246.351 0.089 10 0 BCAELP COCCC[NH2+]CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000104191531 174247492 /nfs/dbraw/zinc/24/74/92/174247492.db2.gz NVKWRYINKTYBFF-ZDUSSCGKSA-N 2 2 244.379 0.971 10 0 BCAELP COCCC[NH2+]CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104191531 174247495 /nfs/dbraw/zinc/24/74/95/174247495.db2.gz NVKWRYINKTYBFF-ZDUSSCGKSA-N 2 2 244.379 0.971 10 0 BCAELP COCC[N@H+](C)CCNc1[nH+]cccc1N ZINC000061378002 174279423 /nfs/dbraw/zinc/27/94/23/174279423.db2.gz UGWWMSYBGWMTEC-UHFFFAOYSA-N 2 2 224.308 0.654 10 0 BCAELP COCC[N@@H+](C)CCNc1[nH+]cccc1N ZINC000061378002 174279426 /nfs/dbraw/zinc/27/94/26/174279426.db2.gz UGWWMSYBGWMTEC-UHFFFAOYSA-N 2 2 224.308 0.654 10 0 BCAELP COCC[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000111228009 174309380 /nfs/dbraw/zinc/30/93/80/174309380.db2.gz TXNLDAVMWDPPFC-LLVKDONJSA-N 2 2 238.335 0.562 10 0 BCAELP COCC[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000111228009 174309381 /nfs/dbraw/zinc/30/93/81/174309381.db2.gz TXNLDAVMWDPPFC-LLVKDONJSA-N 2 2 238.335 0.562 10 0 BCAELP COCC[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000082646449 174334594 /nfs/dbraw/zinc/33/45/94/174334594.db2.gz WNOWJNIKQXLQPD-LLVKDONJSA-N 2 2 216.325 0.069 10 0 BCAELP COCC[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000082646449 174334595 /nfs/dbraw/zinc/33/45/95/174334595.db2.gz WNOWJNIKQXLQPD-LLVKDONJSA-N 2 2 216.325 0.069 10 0 BCAELP COCCOCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000070027576 174353297 /nfs/dbraw/zinc/35/32/97/174353297.db2.gz KBUQKZBEAZTRMI-JTQLQIEISA-N 2 2 202.298 0.073 10 0 BCAELP COCCOCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000070027576 174353298 /nfs/dbraw/zinc/35/32/98/174353298.db2.gz KBUQKZBEAZTRMI-JTQLQIEISA-N 2 2 202.298 0.073 10 0 BCAELP COCCOCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000070027572 174355359 /nfs/dbraw/zinc/35/53/59/174355359.db2.gz VBGIBCQFXMHHJC-RYUDHWBXSA-N 2 2 230.352 0.709 10 0 BCAELP COCCOCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000070027572 174355360 /nfs/dbraw/zinc/35/53/60/174355360.db2.gz VBGIBCQFXMHHJC-RYUDHWBXSA-N 2 2 230.352 0.709 10 0 BCAELP COCC[C@@](C)(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000062249618 174399709 /nfs/dbraw/zinc/39/97/09/174399709.db2.gz RQIBPQVNBYXALA-LBPRGKRZSA-N 2 2 240.351 0.606 10 0 BCAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCN(C)C1 ZINC000061988807 175784166 /nfs/dbraw/zinc/78/41/66/175784166.db2.gz NOTBVNXPFRRVEH-QWRGUYRKSA-N 2 2 208.309 0.565 10 0 BCAELP C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](C)CC2)[NH2+]1 ZINC000019488486 176135800 /nfs/dbraw/zinc/13/58/00/176135800.db2.gz RMRIGWPTBQXIFP-GHMZBOCLSA-N 2 2 225.336 0.291 10 0 BCAELP C[C@@H]1CCN(Cc2c[nH+]cn2C)[C@@H](C[NH3+])C1 ZINC000235341868 176178129 /nfs/dbraw/zinc/17/81/29/176178129.db2.gz KJHHWXNYZLQCJH-GHMZBOCLSA-N 2 2 222.336 0.979 10 0 BCAELP C[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1[NH3+] ZINC000235325872 176295888 /nfs/dbraw/zinc/29/58/88/176295888.db2.gz JTGDJMIRGWMQBV-KOLCDFICSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1[NH3+] ZINC000235325872 176295889 /nfs/dbraw/zinc/29/58/89/176295889.db2.gz JTGDJMIRGWMQBV-KOLCDFICSA-N 2 2 208.309 0.242 10 0 BCAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])o2)CCO1 ZINC000052382415 176302721 /nfs/dbraw/zinc/30/27/21/176302721.db2.gz KOSMAVLBTJPULI-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)CCO1 ZINC000052382415 176302724 /nfs/dbraw/zinc/30/27/24/176302724.db2.gz KOSMAVLBTJPULI-SECBINFHSA-N 2 2 210.277 0.959 10 0 BCAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCSC2)CCCO1 ZINC000061916203 176318400 /nfs/dbraw/zinc/31/84/00/176318400.db2.gz HSMQHRXNXLFLJN-MNOVXSKESA-N 2 2 230.377 0.932 10 0 BCAELP C[C@@H]1C[NH2+]CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000044982836 176325521 /nfs/dbraw/zinc/32/55/21/176325521.db2.gz YBXFGFCZWWEVFQ-NEPJUHHUSA-N 2 2 212.337 0.954 10 0 BCAELP C[C@@H]1C[NH2+]CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000044982836 176325522 /nfs/dbraw/zinc/32/55/22/176325522.db2.gz YBXFGFCZWWEVFQ-NEPJUHHUSA-N 2 2 212.337 0.954 10 0 BCAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000104228869 176330321 /nfs/dbraw/zinc/33/03/21/176330321.db2.gz XYLFRUCZPXVFBD-NXEZZACHSA-N 2 2 234.303 0.081 10 0 BCAELP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cnccn1 ZINC000095068392 176861766 /nfs/dbraw/zinc/86/17/66/176861766.db2.gz MVYNNZSHJREIMY-VHSXEESVSA-N 2 2 206.293 0.737 10 0 BCAELP C[C@@H]1CC[N@@H+](CCS(C)(=O)=O)CC[C@H](C)[NH2+]1 ZINC000049662694 177161004 /nfs/dbraw/zinc/16/10/04/177161004.db2.gz JBPRSHFAKYABCO-PHIMTYICSA-N 2 2 248.392 0.493 10 0 BCAELP C[C@@H]1CC[N@H+](CCS(C)(=O)=O)CC[C@H](C)[NH2+]1 ZINC000049662694 177161005 /nfs/dbraw/zinc/16/10/05/177161005.db2.gz JBPRSHFAKYABCO-PHIMTYICSA-N 2 2 248.392 0.493 10 0 BCAELP C[C@H]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000042542785 177197393 /nfs/dbraw/zinc/19/73/93/177197393.db2.gz FHAHTUMKKAOWNJ-QWRGUYRKSA-N 2 2 236.319 0.387 10 0 BCAELP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nncn1C ZINC000216419936 177239156 /nfs/dbraw/zinc/23/91/56/177239156.db2.gz WDKAFJDLGVGCEK-DCAQKATOSA-N 2 2 237.351 0.633 10 0 BCAELP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nncn1C ZINC000216419936 177239157 /nfs/dbraw/zinc/23/91/57/177239157.db2.gz WDKAFJDLGVGCEK-DCAQKATOSA-N 2 2 237.351 0.633 10 0 BCAELP C[C@H]1CN(Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000280131440 177261346 /nfs/dbraw/zinc/26/13/46/177261346.db2.gz AXPWFNYAAKUGDP-ONGXEEELSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@H]1CN(Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000280131440 177261348 /nfs/dbraw/zinc/26/13/48/177261348.db2.gz AXPWFNYAAKUGDP-ONGXEEELSA-N 2 2 208.309 0.792 10 0 BCAELP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCS(C)(=O)=O)C1 ZINC000049662708 177285285 /nfs/dbraw/zinc/28/52/85/177285285.db2.gz SHEDWUOXJUZJPQ-QWRGUYRKSA-N 2 2 248.392 0.208 10 0 BCAELP C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000104225568 177286099 /nfs/dbraw/zinc/28/60/99/177286099.db2.gz ZDPMHXPTKVQWKM-UWVGGRQHSA-N 2 2 248.330 0.942 10 0 BCAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000049710883 177327204 /nfs/dbraw/zinc/32/72/04/177327204.db2.gz UWWFDCGOARBUKB-QWRGUYRKSA-N 3 2 211.353 0.892 10 0 BCAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1CC[NH+](C)CC1 ZINC000049710883 177327206 /nfs/dbraw/zinc/32/72/06/177327206.db2.gz UWWFDCGOARBUKB-QWRGUYRKSA-N 3 2 211.353 0.892 10 0 BCAELP C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CC[NH+](C)C1 ZINC000681919634 487867665 /nfs/dbraw/zinc/86/76/65/487867665.db2.gz DVNZSEFRCPWTAO-SNVBAGLBSA-N 2 2 208.309 0.793 10 0 BCAELP C[N@H+](Cc1cn[nH]c1)C[C@@H]1CC[NH+](C)C1 ZINC000681919634 487867669 /nfs/dbraw/zinc/86/76/69/487867669.db2.gz DVNZSEFRCPWTAO-SNVBAGLBSA-N 2 2 208.309 0.793 10 0 BCAELP C[NH+](Cc1cn[nH]c1)C[C@@H]1CC[N@H+](C)C1 ZINC000681919634 487867672 /nfs/dbraw/zinc/86/76/72/487867672.db2.gz DVNZSEFRCPWTAO-SNVBAGLBSA-N 2 2 208.309 0.793 10 0 BCAELP C[NH+](Cc1cn[nH]c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000681919634 487867675 /nfs/dbraw/zinc/86/76/75/487867675.db2.gz DVNZSEFRCPWTAO-SNVBAGLBSA-N 2 2 208.309 0.793 10 0 BCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000080530541 487911628 /nfs/dbraw/zinc/91/16/28/487911628.db2.gz OYHJZXBDKOTKSI-UWVGGRQHSA-N 2 2 236.319 0.886 10 0 BCAELP CC[NH2+]Cc1cn(Cc2[nH+]ccn2CC)nn1 ZINC000090296501 487928759 /nfs/dbraw/zinc/92/87/59/487928759.db2.gz BKYFKHKVXXRMRN-UHFFFAOYSA-N 2 2 234.307 0.652 10 0 BCAELP CCN1CCO[C@@H](C[NH3+])[C@@H]1c1[nH+]ccn1C ZINC000385382562 323950097 /nfs/dbraw/zinc/95/00/97/323950097.db2.gz SKBREXSZSGLXRL-VHSXEESVSA-N 2 2 224.308 0.141 10 0 BCAELP O=C(C[C@H]1CCC[NH2+]C1)NCc1[nH]cc[nH+]1 ZINC000070646667 325020467 /nfs/dbraw/zinc/02/04/67/325020467.db2.gz GNGLLSNVSHKIBT-SECBINFHSA-N 2 2 222.292 0.416 10 0 BCAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)n1C ZINC000568269569 326338048 /nfs/dbraw/zinc/33/80/48/326338048.db2.gz PGTRLWVRMYSNNV-LDYMZIIASA-N 2 2 236.319 0.485 10 0 BCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1[nH]cc[nH+]1 ZINC000084311254 488044775 /nfs/dbraw/zinc/04/47/75/488044775.db2.gz VHZXENLFCLGPAK-IUCAKERBSA-N 2 2 222.292 0.401 10 0 BCAELP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000136317465 488094753 /nfs/dbraw/zinc/09/47/53/488094753.db2.gz ZCZWJKNBMIDLMR-WDEREUQCSA-N 2 2 238.335 0.761 10 0 BCAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CSC1)C2 ZINC000307417317 491133518 /nfs/dbraw/zinc/13/35/18/491133518.db2.gz KDAITCMVMUXNBQ-SSDOTTSWSA-N 2 2 209.318 0.972 10 0 BCAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CSC1)CC2 ZINC000307417317 491133519 /nfs/dbraw/zinc/13/35/19/491133519.db2.gz KDAITCMVMUXNBQ-SSDOTTSWSA-N 2 2 209.318 0.972 10 0 BCAELP OCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309630237 491153187 /nfs/dbraw/zinc/15/31/87/491153187.db2.gz KCZSQRRHIBHLNY-RYUDHWBXSA-N 2 2 244.404 0.786 10 0 BCAELP OCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000309630237 491153188 /nfs/dbraw/zinc/15/31/88/491153188.db2.gz KCZSQRRHIBHLNY-RYUDHWBXSA-N 2 2 244.404 0.786 10 0 BCAELP C[N@H+](CC[NH3+])[C@@H]1CCCN(c2cccnn2)C1 ZINC000263079441 536368681 /nfs/dbraw/zinc/36/86/81/536368681.db2.gz XKMKNJBEXKESLC-LLVKDONJSA-N 2 2 235.335 0.336 10 0 BCAELP C[N@@H+](CC[NH3+])[C@@H]1CCCN(c2cccnn2)C1 ZINC000263079441 536368684 /nfs/dbraw/zinc/36/86/84/536368684.db2.gz XKMKNJBEXKESLC-LLVKDONJSA-N 2 2 235.335 0.336 10 0 BCAELP CCOC(=O)[C@@](C)([NH3+])Cn1cc[nH+]c1C ZINC000045432869 582879094 /nfs/dbraw/zinc/87/90/94/582879094.db2.gz MRPHHGJCQAJFOT-JTQLQIEISA-N 2 2 211.265 0.472 10 0 BCAELP CCOC(=O)[C@@H](Cn1cc[nH+]c1C)[NH2+]C ZINC000045432803 582879382 /nfs/dbraw/zinc/87/93/82/582879382.db2.gz MEIXKARAJSBRCB-SECBINFHSA-N 2 2 211.265 0.343 10 0 BCAELP CCOC(=O)[C@@](C)([NH3+])CCn1cc[nH+]c1 ZINC000045432306 582879496 /nfs/dbraw/zinc/87/94/96/582879496.db2.gz FRHMHZWXHKORGT-JTQLQIEISA-N 2 2 211.265 0.554 10 0 BCAELP CCc1[nH+]ccn1C[C@H]([NH2+]C)C(=O)OC ZINC000045460466 582880119 /nfs/dbraw/zinc/88/01/19/582880119.db2.gz ODCCJIBLBBFOLB-QMMMGPOBSA-N 2 2 211.265 0.207 10 0 BCAELP COC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000262470520 536674629 /nfs/dbraw/zinc/67/46/29/536674629.db2.gz YGKGXVHSYFUNCA-SSDOTTSWSA-N 2 2 225.248 0.002 10 0 BCAELP [NH3+]C[C@@H]1CCN1CC1=CSC2=[NH+]CCN12 ZINC000757147574 582531842 /nfs/dbraw/zinc/53/18/42/582531842.db2.gz QKLXRHYLWFIWFQ-QMMMGPOBSA-N 2 2 224.333 0.279 10 0 BCAELP CC1(C)C[C@@H]([N@@H+]2CC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000757163243 582544749 /nfs/dbraw/zinc/54/47/49/582544749.db2.gz ZAZZPTUXLAJCNF-DTWKUNHWSA-N 2 2 211.309 0.077 10 0 BCAELP CC1(C)C[C@@H]([N@H+]2CC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000757163243 582544750 /nfs/dbraw/zinc/54/47/50/582544750.db2.gz ZAZZPTUXLAJCNF-DTWKUNHWSA-N 2 2 211.309 0.077 10 0 BCAELP CC(C)CC(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000082491367 583801010 /nfs/dbraw/zinc/80/10/10/583801010.db2.gz QBYFYVMKBNXVBW-UHFFFAOYSA-N 2 2 227.352 0.572 10 0 BCAELP [NH3+]CC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000082491373 583801102 /nfs/dbraw/zinc/80/11/02/583801102.db2.gz YVTDPVMVINNXIP-UHFFFAOYSA-N 2 2 225.336 0.326 10 0 BCAELP [NH3+]Cc1cccc([C@H]2[NH2+]CCC[C@H]2[NH3+])c1 ZINC000757215178 586440480 /nfs/dbraw/zinc/44/04/80/586440480.db2.gz NIOPPBSWFWPYQV-VXGBXAGGSA-N 3 2 205.305 0.897 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@H](C)C[C@@H]2[NH3+])cn1 ZINC000757235793 586443567 /nfs/dbraw/zinc/44/35/67/586443567.db2.gz MTGUWQZLEAVQMW-MIMYLULJSA-N 2 2 208.309 0.901 10 0 BCAELP CCn1cc([C@@H]2[NH2+]C[C@@H](C)C[C@H]2[NH3+])cn1 ZINC000757235781 586443760 /nfs/dbraw/zinc/44/37/60/586443760.db2.gz MTGUWQZLEAVQMW-GDPRMGEGSA-N 2 2 208.309 0.901 10 0 BCAELP NC(=O)C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000211512053 591179533 /nfs/dbraw/zinc/17/95/33/591179533.db2.gz JVSAROBXPSFJKU-ZDUSSCGKSA-N 2 2 233.315 0.465 10 0 BCAELP NC(=O)C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000211512053 591179535 /nfs/dbraw/zinc/17/95/35/591179535.db2.gz JVSAROBXPSFJKU-ZDUSSCGKSA-N 2 2 233.315 0.465 10 0 BCAELP COc1c(C[NH2+]CCC[NH+](C)C)c(C)nn1C ZINC000134089372 591886437 /nfs/dbraw/zinc/88/64/37/591886437.db2.gz LKEOEEMVXXKBBY-UHFFFAOYSA-N 2 2 240.351 0.778 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000308481524 631391229 /nfs/dbraw/zinc/39/12/29/631391229.db2.gz MQLOTWSYBULUSX-NXEZZACHSA-N 2 2 204.314 0.051 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000308481524 631391232 /nfs/dbraw/zinc/39/12/32/631391232.db2.gz MQLOTWSYBULUSX-NXEZZACHSA-N 2 2 204.314 0.051 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000308481526 631392195 /nfs/dbraw/zinc/39/21/95/631392195.db2.gz MQLOTWSYBULUSX-UWVGGRQHSA-N 2 2 204.314 0.051 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000308481526 631392199 /nfs/dbraw/zinc/39/21/99/631392199.db2.gz MQLOTWSYBULUSX-UWVGGRQHSA-N 2 2 204.314 0.051 10 0 BCAELP CN(C)c1cc(N(C)[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000258615894 631553720 /nfs/dbraw/zinc/55/37/20/631553720.db2.gz COIICKQEQQMYDY-VIFPVBQESA-N 2 2 221.308 0.341 10 0 BCAELP Cc1nonc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309275823 633880313 /nfs/dbraw/zinc/88/03/13/633880313.db2.gz DSYPASMOSYZHSQ-IVZWLZJFSA-N 2 2 222.292 0.547 10 0 BCAELP Cc1nonc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309275823 633880315 /nfs/dbraw/zinc/88/03/15/633880315.db2.gz DSYPASMOSYZHSQ-IVZWLZJFSA-N 2 2 222.292 0.547 10 0 BCAELP CN(C)c1cc(NC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000258558439 635169669 /nfs/dbraw/zinc/16/96/69/635169669.db2.gz BJGLVNUPRMSMKO-SECBINFHSA-N 2 2 221.308 0.707 10 0 BCAELP Cn1cc(CC[N@@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000226425214 640762628 /nfs/dbraw/zinc/76/26/28/640762628.db2.gz SCCCIAMZRNHRFD-NSHDSACASA-N 2 2 208.309 0.386 10 0 BCAELP Cn1cc(CC[N@H+]2CCC[C@H]2C[NH3+])cn1 ZINC000226425214 640762629 /nfs/dbraw/zinc/76/26/29/640762629.db2.gz SCCCIAMZRNHRFD-NSHDSACASA-N 2 2 208.309 0.386 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000227727336 640846561 /nfs/dbraw/zinc/84/65/61/640846561.db2.gz ARWUDXXHZAFQNH-NWDGAFQWSA-N 2 2 230.352 0.456 10 0 BCAELP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COC(C)C ZINC000227727336 640846562 /nfs/dbraw/zinc/84/65/62/640846562.db2.gz ARWUDXXHZAFQNH-NWDGAFQWSA-N 2 2 230.352 0.456 10 0 BCAELP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000227911493 640853277 /nfs/dbraw/zinc/85/32/77/640853277.db2.gz FBLQTHQDJCLNIR-OLZOCXBDSA-N 2 2 244.379 0.848 10 0 BCAELP CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000227911493 640853281 /nfs/dbraw/zinc/85/32/81/640853281.db2.gz FBLQTHQDJCLNIR-OLZOCXBDSA-N 2 2 244.379 0.848 10 0 BCAELP COC(=O)[C@@H]([NH3+])CCn1cc[nH+]c1C(C)C ZINC000062534538 641057350 /nfs/dbraw/zinc/05/73/50/641057350.db2.gz ZXCANVMVTWUNMP-VIFPVBQESA-N 2 2 225.292 0.897 10 0 BCAELP CCOC(=O)[C@@H]([NH3+])CCn1cc[nH+]c1CC ZINC000062537407 641059567 /nfs/dbraw/zinc/05/95/67/641059567.db2.gz BKYSNLYAEVGVKT-VIFPVBQESA-N 2 2 225.292 0.726 10 0 BCAELP CCOC(=O)[C@@]([NH3+])(Cn1cc[nH+]c1)C1CC1 ZINC000068943081 642812608 /nfs/dbraw/zinc/81/26/08/642812608.db2.gz SDLZEPGCIKPEKE-LLVKDONJSA-N 2 2 223.276 0.554 10 0 BCAELP CC(C)OC[C@@H](O)C[N@@H+]1CCC[NH2+]CC1 ZINC000069641093 642889274 /nfs/dbraw/zinc/88/92/74/642889274.db2.gz XKAPJAYMVODEFT-NSHDSACASA-N 2 2 216.325 0.068 10 0 BCAELP CC(C)OC[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000069641093 642889278 /nfs/dbraw/zinc/88/92/78/642889278.db2.gz XKAPJAYMVODEFT-NSHDSACASA-N 2 2 216.325 0.068 10 0 BCAELP CCC[N@H+](C[C@H](O)COC(C)C)[C@@H]1CC[NH2+]C1 ZINC000070100147 642969743 /nfs/dbraw/zinc/96/97/43/642969743.db2.gz GJKYPHQEIMJSRJ-OLZOCXBDSA-N 2 2 244.379 0.846 10 0 BCAELP CCC[N@@H+](C[C@H](O)COC(C)C)[C@@H]1CC[NH2+]C1 ZINC000070100147 642969752 /nfs/dbraw/zinc/96/97/52/642969752.db2.gz GJKYPHQEIMJSRJ-OLZOCXBDSA-N 2 2 244.379 0.846 10 0 BCAELP CCOC(=O)[C@]([NH3+])(Cn1cc[nH+]c1)C1CC1 ZINC000068943085 643432091 /nfs/dbraw/zinc/43/20/91/643432091.db2.gz SDLZEPGCIKPEKE-NSHDSACASA-N 2 2 223.276 0.554 10 0 BCAELP CCCc1[nH+]ccn1C[C@@H]([NH3+])C(=O)OCC ZINC000069964582 643451269 /nfs/dbraw/zinc/45/12/69/643451269.db2.gz ZNGOBXSRMFQPFA-SECBINFHSA-N 2 2 225.292 0.726 10 0 BCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708893512 712202952 /nfs/dbraw/zinc/20/29/52/712202952.db2.gz KTZSVTJACMBEEV-MNOVXSKESA-N 2 2 248.392 0.338 10 0 BCAELP CCCS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708893512 712202954 /nfs/dbraw/zinc/20/29/54/712202954.db2.gz KTZSVTJACMBEEV-MNOVXSKESA-N 2 2 248.392 0.338 10 0 BCAELP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746052 712863285 /nfs/dbraw/zinc/86/32/85/712863285.db2.gz FMBHILQLADHVNY-MNOVXSKESA-N 2 2 230.352 0.441 10 0 BCAELP CC(C)OC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746052 712863286 /nfs/dbraw/zinc/86/32/86/712863286.db2.gz FMBHILQLADHVNY-MNOVXSKESA-N 2 2 230.352 0.441 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC000724913728 710745601 /nfs/dbraw/zinc/74/56/01/710745601.db2.gz IAXLSQDCNFRKAA-QWRGUYRKSA-N 2 2 214.309 0.215 10 0 BCAELP [NH3+]C[C@@H]1CCC[N@H+]1CCO[C@H]1CCOC1 ZINC000724913728 710745603 /nfs/dbraw/zinc/74/56/03/710745603.db2.gz IAXLSQDCNFRKAA-QWRGUYRKSA-N 2 2 214.309 0.215 10 0 BCAELP C([C@H]1CCCO1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257733585 711514779 /nfs/dbraw/zinc/51/47/79/711514779.db2.gz XOAVPFNYHILTJY-VXGBXAGGSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@H]1CCCO1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000257733585 711514781 /nfs/dbraw/zinc/51/47/81/711514781.db2.gz XOAVPFNYHILTJY-VXGBXAGGSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@@H]1CCCO1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257733582 711514928 /nfs/dbraw/zinc/51/49/28/711514928.db2.gz XOAVPFNYHILTJY-RYUDHWBXSA-N 2 2 210.321 0.993 10 0 BCAELP C([C@@H]1CCCO1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257733582 711514930 /nfs/dbraw/zinc/51/49/30/711514930.db2.gz XOAVPFNYHILTJY-RYUDHWBXSA-N 2 2 210.321 0.993 10 0 BCAELP Cc1cc(C)[nH+]c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000723879174 711542278 /nfs/dbraw/zinc/54/22/78/711542278.db2.gz LXCCXVUUAGLXLM-UONOGXRCSA-N 2 2 247.342 0.871 10 0 BCAELP CCn1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000714454079 712490094 /nfs/dbraw/zinc/49/00/94/712490094.db2.gz BIZNWWZVLJGGCP-UWVGGRQHSA-N 2 2 223.324 0.325 10 0 BCAELP CCn1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000714454079 712490095 /nfs/dbraw/zinc/49/00/95/712490095.db2.gz BIZNWWZVLJGGCP-UWVGGRQHSA-N 2 2 223.324 0.325 10 0 BCAELP